#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3b h TYR 11 N 0.00 0.00 -0.91 0.00 -0.00 -2.01 -3.25 116.97 110.80 1h3b h TYR 11 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.73 58.86 1h3b h TYR 11 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.59 1h3b h TYR 11 CO 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 178.16 177.76 1h3b n ALA 12 N -2.38 -0.23 -0.27 0.10 0.00 -1.26 0.29 120.51 116.77 1h3b n ALA 12 Ca -0.02 0.88 -0.05 0.00 0.00 0.00 0.00 53.44 54.25 1h3b n ALA 12 Cb 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 19.45 19.32 1h3b n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3b h ARG 13 N 0.00 1.03 -0.79 0.00 3.08 -1.99 0.78 114.38 116.49 1h3b h ARG 13 Ca 0.28 -0.11 0.11 0.00 0.07 0.00 0.00 59.98 60.33 1h3b h ARG 13 Cb 0.50 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 1h3b h ARG 13 CO -0.89 0.75 0.41 1.15 -1.07 0.00 0.00 179.97 180.32 1h3b h THR 14 N 1.03 0.81 -0.08 2.04 2.02 -0.35 0.24 112.91 118.63 1h3b h THR 14 Ca 0.27 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1h3b h THR 14 Cb -0.00 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1h3b h THR 14 CO -0.05 0.12 -0.16 0.25 0.37 0.00 0.00 175.52 176.05 1h3b h LEU 15 N 0.66 0.27 -1.73 2.58 6.46 -0.11 -1.48 115.31 121.97 1h3b h LEU 15 Ca 0.41 -0.57 -0.04 0.00 -0.12 0.00 0.00 57.88 57.56 1h3b h LEU 15 Cb 0.48 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1h3b h LEU 15 CO -0.30 0.79 -0.17 0.44 -0.62 0.00 0.00 178.44 178.58 1h3b h ASP 16 N -0.24 0.00 -0.11 1.25 3.32 -0.44 -0.15 116.42 120.05 1h3b h ASP 16 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1h3b h ASP 16 Cb 0.75 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.31 1h3b h ASP 16 CO 0.04 0.17 -0.86 0.03 -1.72 0.00 0.00 179.24 176.90 1h3b h ARG 17 N 0.00 0.77 -0.64 3.56 3.08 -0.46 -2.33 114.38 118.37 1h3b h ARG 17 Ca -0.00 -0.69 -0.08 0.00 0.07 0.00 0.00 59.98 59.29 1h3b h ARG 17 Cb 0.35 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1h3b h ARG 17 CO 0.02 1.28 0.10 0.00 -1.07 0.00 0.00 179.97 180.30 1h3b h ALA 18 N 0.51 0.98 -0.19 0.04 0.00 -0.40 -2.48 119.26 117.72 1h3b h ALA 18 Ca -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1h3b h ALA 18 Cb 1.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1h3b h ALA 18 CO 0.17 0.64 0.04 0.28 0.00 0.00 0.00 179.25 180.39 1h3b h VAL 19 N 0.98 1.21 -0.63 0.00 2.07 -1.06 -2.09 116.25 116.73 1h3b h VAL 19 Ca 0.20 -0.67 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1h3b h VAL 19 Cb 0.42 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1h3b h VAL 19 CO 0.01 0.21 0.42 -0.33 0.02 0.00 0.00 177.57 177.90 1h3b h GLU 20 N 0.12 0.44 0.12 1.57 5.08 -1.22 -2.00 114.58 118.69 1h3b h GLU 20 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1h3b h GLU 20 Cb 0.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1h3b h GLU 20 CO 0.00 0.29 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.32 1h3b h TYR 21 N 0.45 -0.15 -0.43 4.33 3.20 -1.15 -2.93 116.97 120.28 1h3b h TYR 21 Ca 0.29 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.25 1h3b h TYR 21 Cb 0.55 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 1h3b h TYR 21 CO -0.00 0.33 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.70 1h3b h LEU 22 N -0.75 -0.35 -2.22 2.82 3.38 -1.07 0.43 115.31 117.54 1h3b h LEU 22 Ca -0.02 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1h3b h LEU 22 Cb 0.55 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1h3b h LEU 22 CO 0.03 -0.12 0.15 -0.07 0.09 0.00 0.00 178.44 178.51 1h3b h LEU 23 N 0.02 0.00 0.04 1.67 3.38 -1.44 -0.07 115.31 118.92 1h3b h LEU 23 Ca 0.21 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 23 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1h3b h LEU 23 CO -0.43 0.00 -1.23 0.77 0.09 0.00 0.00 178.44 177.64 1h3b h SER 24 N 0.00 0.14 0.86 -0.43 4.64 -0.77 -3.25 113.55 114.74 1h3b h SER 24 Ca 0.07 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1h3b h SER 24 Cb 0.37 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1h3b h SER 24 CO -0.00 1.14 0.00 0.00 -0.87 0.00 0.00 176.83 177.10 1h3b s GLN 26 N -3.18 4.00 0.55 0.00 0.74 -0.97 -4.72 119.66 116.08 1h3b s GLN 26 Ca 0.07 2.02 -0.06 0.00 0.05 0.00 0.00 55.36 57.45 1h3b s GLN 26 Cb 0.11 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.48 1h3b s GLN 26 CO 0.42 -0.42 0.86 0.15 -0.55 0.00 0.00 175.29 175.75 1h3b s LYS 27 N -2.26 3.18 0.13 1.67 3.01 -0.18 -4.98 119.74 120.31 1h3b s LYS 27 Ca 0.57 0.10 -0.22 0.00 -1.01 0.00 0.00 55.97 55.41 1h3b s LYS 27 Cb -0.35 -2.30 -0.02 0.00 -1.01 0.00 0.00 37.83 34.15 1h3b s LYS 27 CO 0.45 -0.52 1.66 -0.44 0.51 0.00 0.00 175.35 177.02 1h3b h ASP 28 N -0.04 -0.49 0.00 2.83 5.19 -1.96 -0.25 116.42 121.71 1h3b h ASP 28 Ca -0.46 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1h3b h ASP 28 Cb 1.23 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1h3b h ASP 28 CO 0.61 -0.20 0.19 -0.33 -3.12 0.00 0.00 179.24 176.39 1h3b h GLU 29 N -0.19 0.00 0.00 3.56 3.07 -1.97 -3.44 114.58 115.60 1h3b h GLU 29 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1h3b h GLU 29 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1h3b h GLU 29 CO -0.25 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.77 1h3b n GLY 30 N -1.26 0.73 3.85 -3.84 0.00 -0.10 -4.76 105.19 99.82 1h3b n GLY 30 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1h3b n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h3b s TYR 31 N -2.00 2.93 0.04 1.61 -0.85 -1.25 -3.72 117.35 114.12 1h3b s TYR 31 Ca 0.00 -0.28 0.04 0.00 -0.52 0.00 0.00 57.07 56.31 1h3b s TYR 31 Cb 0.00 -1.76 -0.04 0.00 0.38 0.00 0.00 41.96 40.54 1h3b s TYR 31 CO 0.00 0.22 -0.03 -1.58 -1.52 0.00 0.00 175.55 172.64 1h3b s TRP 32 N -2.28 2.95 -0.34 -3.49 0.51 -1.26 -1.01 118.94 114.02 1h3b s TRP 32 Ca 0.40 -0.02 0.06 0.00 -2.12 0.00 0.00 56.10 54.42 1h3b s TRP 32 Cb -0.06 -1.58 0.18 0.00 -0.81 0.00 0.00 33.47 31.20 1h3b s TRP 32 CO 0.27 0.44 0.56 -0.46 -0.51 0.00 0.00 176.95 177.24 1h3b s TRP 33 N -1.15 -1.56 0.12 -1.98 -0.00 -1.26 -3.79 118.94 109.31 1h3b s TRP 33 Ca 0.21 0.53 -0.07 0.00 -0.00 0.00 0.00 56.10 56.77 1h3b s TRP 33 Cb -0.11 0.19 -0.06 0.00 -0.00 0.00 0.00 33.47 33.48 1h3b s TRP 33 CO 0.13 -1.09 0.40 0.20 -0.00 0.00 0.00 176.95 176.58 1h3b s GLY 34 N 2.34 2.28 0.55 5.86 0.00 -1.26 -5.01 107.32 112.09 1h3b s GLY 34 Ca 0.13 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 1h3b s GLY 34 CO -0.18 -0.32 1.24 -4.14 0.00 0.00 0.00 173.10 169.69 1h3b s PRO 35 N -2.34 3.18 -0.22 2.90 0.02 -1.26 -4.55 135.00 132.73 1h3b s PRO 35 Ca 0.38 1.92 -0.08 0.00 0.02 0.00 0.00 61.00 63.23 1h3b s PRO 35 Cb -0.13 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 1h3b s PRO 35 CO 0.21 -1.07 0.09 -1.17 -0.33 0.00 0.00 177.00 174.74 1h3b s LEU 36 N -3.71 3.79 -0.05 -5.54 2.96 -1.26 -3.12 118.68 111.74 1h3b s LEU 36 Ca 0.73 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1h3b s LEU 36 Cb -0.33 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1h3b s LEU 36 CO 0.37 0.08 0.14 -0.76 -1.32 0.00 0.00 176.35 174.86 1h3b s LEU 37 N 0.93 4.26 0.00 -0.68 2.01 -0.52 -4.48 118.68 120.20 1h3b s LEU 37 Ca 0.05 0.35 0.00 0.00 0.01 0.00 0.00 54.13 54.54 1h3b s LEU 37 Cb -0.14 -2.31 0.00 0.00 0.01 0.00 0.00 46.19 43.75 1h3b s LEU 37 CO 0.03 0.33 0.00 -1.54 1.01 0.00 0.00 176.35 176.18 1h3b n SER 38 N 1.44 0.00 -4.01 2.29 3.41 -1.26 0.36 113.62 115.84 1h3b n SER 38 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 1h3b n SER 38 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1h3b n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h3b s ASN 39 N 1.00 -0.03 0.00 4.04 2.20 -1.26 -4.77 114.94 116.11 1h3b s ASN 39 Ca 0.00 -0.98 0.08 0.00 -0.94 0.00 0.00 52.86 51.02 1h3b s ASN 39 Cb 0.00 0.52 0.44 0.00 -2.00 0.00 0.00 41.25 40.21 1h3b s ASN 39 CO 0.00 -1.04 1.07 1.33 -2.94 0.00 0.00 177.10 175.53 1h3b n VAL 40 N -0.33 0.58 0.30 3.54 0.24 -1.26 -2.90 118.33 118.51 1h3b n VAL 40 Ca -0.02 0.15 0.18 0.00 -2.04 0.00 0.00 64.34 62.60 1h3b n VAL 40 Cb 0.63 -1.01 0.79 0.00 -1.47 0.00 0.00 33.84 32.77 1h3b n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1h3b h THR 41 N 0.00 0.00 0.38 3.34 1.35 -1.97 0.12 112.91 116.14 1h3b h THR 41 Ca 0.00 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1h3b h THR 41 Cb 0.05 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1h3b h THR 41 CO 0.00 0.00 -0.18 0.24 -0.25 0.00 0.00 175.52 175.33 1h3b h MET 42 N 0.00 -0.49 -0.46 4.72 2.86 -1.88 -1.70 114.93 117.98 1h3b h MET 42 Ca 0.00 0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1h3b h MET 42 Cb 0.36 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1h3b h MET 42 CO 0.00 -0.19 -0.08 0.93 1.06 0.00 0.00 176.91 178.63 1h3b h GLU 43 N -0.97 0.82 -0.54 1.72 3.07 -1.74 -0.43 114.58 116.51 1h3b h GLU 43 Ca -0.05 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1h3b h GLU 43 Cb 0.53 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 1h3b h GLU 43 CO 0.09 0.88 0.30 0.00 -1.40 0.00 0.00 179.01 178.88 1h3b h ALA 44 N 1.16 0.69 -0.33 3.43 0.00 -0.82 -1.78 119.26 121.61 1h3b h ALA 44 Ca 0.13 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1h3b h ALA 44 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1h3b h ALA 44 CO 0.03 0.19 -0.44 0.93 0.00 0.00 0.00 179.25 179.97 1h3b h GLU 45 N 0.72 0.84 -0.60 0.00 5.08 -1.14 -2.61 114.58 116.87 1h3b h GLU 45 Ca 0.19 -0.47 0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1h3b h GLU 45 Cb 0.03 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 1h3b h GLU 45 CO -0.03 1.11 0.20 -0.92 -1.00 0.00 0.00 179.01 178.37 1h3b h TYR 46 N 0.67 0.35 -0.47 4.33 5.03 -0.77 0.84 116.97 126.96 1h3b h TYR 46 Ca 0.04 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.40 1h3b h TYR 46 Cb 1.02 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.20 1h3b h TYR 46 CO 0.06 0.07 0.29 0.28 -1.32 0.00 0.00 178.16 177.53 1h3b h VAL 47 N 0.37 1.06 -0.24 1.81 2.07 -1.18 0.16 116.25 120.30 1h3b h VAL 47 Ca 0.31 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 1h3b h VAL 47 Cb 0.40 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1h3b h VAL 47 CO -0.33 0.10 -0.37 -0.07 0.02 0.00 0.00 177.57 176.93 1h3b h LEU 48 N 0.57 0.56 0.15 2.57 3.38 -0.79 -2.10 115.31 119.66 1h3b h LEU 48 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 48 Cb 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1h3b h LEU 48 CO -0.08 0.88 -0.10 0.25 0.09 0.00 0.00 178.44 179.49 1h3b h LEU 49 N 0.45 -0.24 -0.85 1.67 5.85 0.15 -1.20 115.31 121.13 1h3b h LEU 49 Ca 0.05 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1h3b h LEU 49 Cb 0.85 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 1h3b h LEU 49 CO 0.07 -0.16 0.48 0.00 -0.34 0.00 0.00 178.44 178.50 1h3b h HIS 51 N 0.77 0.71 -0.28 0.00 -0.00 -0.94 0.46 115.15 115.88 1h3b h HIS 51 Ca 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.78 1h3b h HIS 51 Cb 0.46 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1h3b h HIS 51 CO -0.06 0.48 0.09 0.82 -0.00 0.00 0.00 177.93 179.26 1h3b h ILE 52 N 0.74 1.20 0.00 6.26 2.04 0.02 -2.52 117.51 125.25 1h3b h ILE 52 Ca 0.20 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1h3b h ILE 52 Cb -0.04 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1h3b h ILE 52 CO -0.04 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1h3b n LEU 53 N -4.73 0.00 -3.84 1.44 4.77 0.20 -4.88 117.00 109.97 1h3b n LEU 53 Ca -0.03 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 1h3b n LEU 53 Cb 0.16 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1h3b n LEU 53 CO 0.36 0.00 0.14 -0.67 -1.33 0.00 0.00 177.39 175.89 1h3b n ASP 54 N -0.79 -5.10 -3.30 -1.43 -0.08 -0.33 -4.93 116.55 100.60 1h3b n ASP 54 Ca 0.13 -0.72 -0.25 0.00 -1.51 0.00 0.00 54.79 52.43 1h3b n ASP 54 Cb 0.06 -4.16 -0.08 0.00 2.34 0.00 0.00 41.12 39.28 1h3b n ASP 54 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1h3b n ARG 55 N -4.76 1.28 -3.64 -0.67 1.74 0.00 -5.03 116.66 105.58 1h3b n ARG 55 Ca 0.03 -3.71 -0.37 0.00 -0.77 0.00 0.00 57.85 53.02 1h3b n ARG 55 Cb 0.54 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1h3b n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h3b s VAL 56 N -1.51 5.26 -0.48 1.55 1.01 -1.26 -4.75 120.40 120.22 1h3b s VAL 56 Ca 0.36 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 1h3b s VAL 56 Cb 0.15 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 33.13 1h3b s VAL 56 CO -0.09 0.30 0.39 -0.62 0.00 0.00 0.00 175.10 175.09 1h3b s ASP 57 N 1.41 6.08 0.37 3.32 2.15 -1.26 -4.95 116.67 123.80 1h3b s ASP 57 Ca 0.07 -1.44 0.17 0.00 0.43 0.00 0.00 52.55 51.79 1h3b s ASP 57 Cb -0.15 -2.16 1.10 0.00 -0.30 0.00 0.00 42.92 41.41 1h3b s ASP 57 CO 0.08 -0.67 1.71 0.03 -0.17 0.00 0.00 175.17 176.15 1h3b h ARG 58 N 8.73 0.36 -0.10 4.34 2.47 -1.99 0.14 114.38 128.32 1h3b h ARG 58 Ca -0.28 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.41 1h3b h ARG 58 Cb 1.10 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1h3b h ARG 58 CO 0.89 0.24 0.03 0.22 0.56 0.00 0.00 179.97 181.91 1h3b h ASP 59 N 0.37 0.15 -0.85 7.04 1.82 -2.01 -2.71 116.42 120.24 1h3b h ASP 59 Ca 0.68 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 57.10 1h3b h ASP 59 Cb 1.65 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 41.58 1h3b h ASP 59 CO -0.43 0.32 0.50 -0.09 -1.61 0.00 0.00 179.24 177.92 1h3b h ARG 60 N -0.02 1.16 -0.96 0.28 9.65 -1.21 -1.72 114.38 121.56 1h3b h ARG 60 Ca 0.03 -0.11 0.09 0.00 -1.10 0.00 0.00 59.98 58.90 1h3b h ARG 60 Cb 0.22 -0.24 -0.08 0.00 -1.39 0.00 0.00 29.97 28.48 1h3b h ARG 60 CO -0.00 0.82 0.60 0.52 2.80 0.00 0.00 179.97 184.71 1h3b h MET 61 N 1.18 0.98 0.53 0.20 2.86 -1.00 -1.40 114.93 118.28 1h3b h MET 61 Ca 0.30 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1h3b h MET 61 Cb -0.03 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 1h3b h MET 61 CO -0.05 0.65 -0.30 0.93 1.06 0.00 0.00 176.91 179.20 1h3b h GLU 62 N 1.01 -0.74 -0.15 1.72 4.39 -1.01 0.70 114.58 120.49 1h3b h GLU 62 Ca 0.45 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.24 1h3b h GLU 62 Cb 0.34 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1h3b h GLU 62 CO -0.23 -0.50 0.14 0.87 -1.16 0.00 0.00 179.01 178.14 1h3b h LYS 63 N -0.77 0.00 0.15 2.33 1.57 -1.12 -1.09 116.57 117.64 1h3b h LYS 63 Ca -0.07 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.43 1h3b h LYS 63 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1h3b h LYS 63 CO 0.09 0.00 -1.29 0.82 -0.57 0.00 0.00 179.45 178.50 1h3b h ILE 64 N 0.00 1.46 -0.39 1.86 2.04 -0.64 -2.12 117.51 119.71 1h3b h ILE 64 Ca 0.07 -3.00 -0.02 0.00 1.00 0.00 0.00 64.86 62.91 1h3b h ILE 64 Cb 0.36 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 1h3b h ILE 64 CO -0.00 0.88 0.16 -0.09 0.00 0.00 0.00 178.15 179.10 1h3b h ARG 65 N 0.09 0.59 -0.07 2.37 2.43 0.33 0.59 114.38 120.71 1h3b h ARG 65 Ca -0.16 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1h3b h ARG 65 Cb 2.01 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 31.43 1h3b h ARG 65 CO 0.22 0.56 -0.16 0.00 -1.51 0.00 0.00 179.97 179.07 1h3b h ARG 66 N 0.49 -0.22 0.04 0.20 3.08 -1.38 -0.76 114.38 115.83 1h3b h ARG 66 Ca 0.13 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1h3b h ARG 66 Cb 0.19 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1h3b h ARG 66 CO -0.01 -0.15 -0.16 -0.92 -1.07 0.00 0.00 179.97 177.66 1h3b h TYR 67 N -0.23 -0.42 0.04 3.04 3.20 -1.15 0.11 116.97 121.57 1h3b h TYR 67 Ca 0.08 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1h3b h TYR 67 Cb 0.34 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1h3b h TYR 67 CO -0.25 -0.24 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.62 1h3b h LEU 68 N -0.28 -1.03 -0.68 2.82 3.38 -0.58 -0.88 115.31 118.06 1h3b h LEU 68 Ca 0.04 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1h3b h LEU 68 Cb 0.33 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1h3b h LEU 68 CO -0.13 -0.41 0.39 -0.07 0.09 0.00 0.00 178.44 178.31 1h3b h LEU 69 N -0.53 0.60 -2.00 1.67 4.07 -1.01 -1.72 115.31 116.40 1h3b h LEU 69 Ca 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1h3b h LEU 69 Cb 0.59 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1h3b h LEU 69 CO -0.25 0.40 -0.04 -0.74 -1.08 0.00 0.00 178.44 176.72 1h3b h HIS 70 N 0.73 0.00 0.00 1.13 2.76 -0.21 -2.21 115.15 117.36 1h3b h HIS 70 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1h3b h HIS 70 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1h3b h HIS 70 CO -0.07 0.04 -0.72 0.93 -1.30 0.00 0.00 177.93 176.82 1h3b h GLU 71 N 0.00 0.00 -6.97 5.26 4.39 -0.31 -3.47 114.58 113.47 1h3b h GLU 71 Ca -0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1h3b h GLU 71 Cb 0.08 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.81 1h3b h GLU 71 CO 0.01 0.00 0.53 -1.14 -1.16 0.00 0.00 179.01 177.25 1h3b s GLN 72 N -3.22 3.84 0.40 2.33 0.74 -0.82 -4.84 119.66 118.09 1h3b s GLN 72 Ca 0.05 1.93 0.08 0.00 0.05 0.00 0.00 55.36 57.46 1h3b s GLN 72 Cb 0.12 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.68 1h3b s GLN 72 CO 0.74 -0.53 0.52 1.03 -0.55 0.00 0.00 175.29 176.50 1h3b s ARG 73 N -2.48 2.87 0.25 1.67 3.00 -0.15 -4.94 118.95 119.16 1h3b s ARG 73 Ca 0.61 -1.22 -0.08 0.00 0.00 0.00 0.00 55.73 55.04 1h3b s ARG 73 Cb -0.33 -2.73 0.39 0.00 0.00 0.00 0.00 34.95 32.28 1h3b s ARG 73 CO 0.40 -0.17 1.39 0.39 0.00 0.00 0.00 175.30 177.31 1h3b n GLU 74 N -1.76 -0.09 0.00 3.54 -0.58 -1.26 0.12 120.64 120.61 1h3b n GLU 74 Ca 0.05 1.39 0.05 0.00 -0.42 0.00 0.00 57.16 58.24 1h3b n GLU 74 Cb 0.59 -2.08 0.24 0.00 -0.57 0.00 0.00 31.44 29.62 1h3b n GLU 74 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1h3b n ASP 75 N -5.44 0.00 0.00 1.62 5.68 -1.26 -4.85 116.55 112.30 1h3b n ASP 75 Ca 0.14 0.45 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1h3b n ASP 75 Cb 0.44 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1h3b n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3b n GLY 76 N -0.39 0.74 3.65 6.12 0.00 0.33 -4.43 105.19 111.22 1h3b n GLY 76 Ca 0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1h3b n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h3b s THR 77 N -2.00 1.41 -0.01 2.61 -4.23 -1.25 -3.00 115.64 109.17 1h3b s THR 77 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1h3b s THR 77 Cb 0.00 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1h3b s THR 77 CO 0.00 0.00 -0.11 0.26 -0.54 0.00 0.00 174.62 174.23 1h3b s TRP 78 N -2.90 1.03 0.46 3.99 0.51 -1.26 -0.97 118.94 119.79 1h3b s TRP 78 Ca 0.22 -0.20 0.03 0.00 -2.12 0.00 0.00 56.10 54.03 1h3b s TRP 78 Cb 0.06 -0.66 0.03 0.00 -0.81 0.00 0.00 33.47 32.09 1h3b s TRP 78 CO 0.11 -0.02 0.26 0.00 -0.51 0.00 0.00 176.95 176.80 1h3b n ALA 79 N 2.76 0.63 0.00 0.98 0.00 -1.26 -1.58 120.51 122.05 1h3b n ALA 79 Ca -0.14 -1.90 -0.20 0.00 0.00 0.00 0.00 53.44 51.19 1h3b n ALA 79 Cb 0.56 0.85 -0.14 0.00 0.00 0.00 0.00 19.45 20.72 1h3b n ALA 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h3b h LEU 80 N 0.00 0.34 -9.49 0.00 3.38 -1.89 -3.44 115.31 104.21 1h3b h LEU 80 Ca -0.31 -0.87 -0.60 0.00 0.09 0.00 0.00 57.88 56.18 1h3b h LEU 80 Cb 1.09 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 1h3b h LEU 80 CO 0.50 1.49 -0.66 -0.72 0.09 0.00 0.00 178.44 179.14 1h3b s TYR 81 N -2.43 2.46 0.00 1.13 1.13 -1.26 -4.52 117.35 113.85 1h3b s TYR 81 Ca -0.19 -0.46 -0.30 0.00 -1.41 0.00 0.00 57.07 54.71 1h3b s TYR 81 Cb 0.03 -1.40 -0.05 0.00 -1.10 0.00 0.00 41.96 39.44 1h3b s TYR 81 CO 0.76 0.55 1.37 -1.25 -2.51 0.00 0.00 175.55 174.48 1h3b s PRO 82 N -3.65 4.29 0.00 -3.49 0.04 -1.26 -2.44 135.00 128.50 1h3b s PRO 82 Ca 0.33 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1h3b s PRO 82 Cb 0.01 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1h3b s PRO 82 CO 0.18 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1h3b n GLY 83 N 3.60 0.65 3.71 0.56 0.00 -1.26 -4.82 105.19 107.62 1h3b n GLY 83 Ca 0.13 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1h3b n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 84 N -2.84 1.91 0.45 -0.02 0.00 -1.02 -5.09 107.32 100.72 1h3b s GLY 84 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 44.72 42.66 1h3b s GLY 84 CO 0.00 -1.76 1.31 -1.55 0.00 0.00 0.00 173.10 171.10 1h3b n PRO 85 N -1.09 1.94 -1.70 2.90 -0.04 -1.26 -4.71 135.00 131.04 1h3b n PRO 85 Ca -0.04 0.69 -0.44 0.00 -0.04 0.00 0.00 63.50 63.68 1h3b n PRO 85 Cb 0.61 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 1h3b n PRO 85 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1h3b n PRO 86 N -0.20 2.33 -3.90 0.54 -0.04 -1.26 -4.53 135.00 127.94 1h3b n PRO 86 Ca 0.07 0.83 -0.35 0.00 -0.04 0.00 0.00 63.50 64.01 1h3b n PRO 86 Cb 0.41 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 1h3b n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1h3b s ASP 87 N 0.50 5.67 0.06 3.54 -1.08 -0.61 -4.98 116.67 119.77 1h3b s ASP 87 Ca 0.69 0.05 -0.35 0.00 -0.52 0.00 0.00 52.55 52.42 1h3b s ASP 87 Cb -0.59 -1.99 -0.19 0.00 -1.46 0.00 0.00 42.92 38.69 1h3b s ASP 87 CO 0.46 0.12 1.53 0.25 0.52 0.00 0.00 175.17 178.05 1h3b h LEU 88 N 7.08 -1.09 -0.23 -1.34 5.85 -1.92 -2.10 115.31 121.57 1h3b h LEU 88 Ca -0.37 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.43 1h3b h LEU 88 Cb 1.17 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 1h3b h LEU 88 CO 0.68 -0.76 -0.49 0.44 -0.34 0.00 0.00 178.44 177.97 1h3b h ASP 89 N -1.24 -1.57 -0.64 1.25 3.32 -1.95 0.22 116.42 115.80 1h3b h ASP 89 Ca -0.12 0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.25 1h3b h ASP 89 Cb 0.96 0.64 -0.09 0.00 0.22 0.00 0.00 39.33 41.06 1h3b h ASP 89 CO 0.19 -0.43 0.18 0.74 -1.72 0.00 0.00 179.24 178.20 1h3b h THR 90 N -0.48 0.64 -0.45 0.35 2.02 -1.88 -1.14 112.91 111.97 1h3b h THR 90 Ca 0.07 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1h3b h THR 90 Cb 0.64 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1h3b h THR 90 CO -0.48 0.06 -0.20 0.74 0.37 0.00 0.00 175.52 176.01 1h3b h THR 91 N 0.31 1.27 0.28 3.16 2.02 -0.56 -1.32 112.91 118.07 1h3b h THR 91 Ca 0.34 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1h3b h THR 91 Cb 0.51 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1h3b h THR 91 CO -0.40 0.46 -0.14 0.40 0.37 0.00 0.00 175.52 176.21 1h3b h ILE 92 N 0.77 0.73 -0.90 3.11 2.04 0.33 0.16 117.51 123.76 1h3b h ILE 92 Ca 0.11 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1h3b h ILE 92 Cb 0.75 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1h3b h ILE 92 CO 0.06 0.01 0.59 -0.33 0.00 0.00 0.00 178.15 178.48 1h3b h GLU 93 N -0.41 1.13 -0.44 2.37 5.08 -1.21 0.64 114.58 121.75 1h3b h GLU 93 Ca -0.04 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1h3b h GLU 93 Cb 0.31 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1h3b h GLU 93 CO 0.06 0.75 -0.05 0.00 -1.00 0.00 0.00 179.01 178.78 1h3b h ALA 94 N 1.35 1.10 0.15 3.43 0.00 -1.00 0.13 119.26 124.42 1h3b h ALA 94 Ca 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h3b h ALA 94 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1h3b h ALA 94 CO -0.10 0.57 -0.07 -0.92 0.00 0.00 0.00 179.25 178.73 1h3b h TYR 95 N 0.69 -0.18 -0.83 0.00 3.20 0.72 -1.29 116.97 119.27 1h3b h TYR 95 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1h3b h TYR 95 Cb 0.49 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1h3b h TYR 95 CO 0.02 -0.03 0.47 0.28 -1.64 0.00 0.00 178.16 177.27 1h3b h VAL 96 N -0.30 1.24 0.72 1.81 2.07 -0.72 -1.55 116.25 119.50 1h3b h VAL 96 Ca -0.02 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1h3b h VAL 96 Cb 0.24 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1h3b h VAL 96 CO 0.03 0.26 -0.39 0.00 0.02 0.00 0.00 177.57 177.49 1h3b h ALA 97 N 1.37 -1.04 -0.56 1.67 0.00 -0.73 -1.90 119.26 118.07 1h3b h ALA 97 Ca 0.30 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1h3b h ALA 97 Cb -0.00 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1h3b h ALA 97 CO -0.05 -1.09 0.21 -0.07 0.00 0.00 0.00 179.25 178.25 1h3b h LEU 98 N -1.03 0.23 -1.33 0.00 3.38 -1.08 -1.02 115.31 114.46 1h3b h LEU 98 Ca -0.09 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h3b h LEU 98 Cb 0.81 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1h3b h LEU 98 CO 0.13 0.15 0.45 0.50 0.09 0.00 0.00 178.44 179.76 1h3b h LYS 99 N 0.40 0.89 0.09 1.13 3.64 -1.20 -2.10 116.57 119.43 1h3b h LYS 99 Ca 0.27 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1h3b h LYS 99 Cb 0.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1h3b h LYS 99 CO -0.27 0.59 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.54 1h3b h TYR 100 N 0.92 -0.11 -0.53 1.91 3.20 -0.47 -2.75 116.97 119.14 1h3b h TYR 100 Ca 0.25 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.27 1h3b h TYR 100 Cb -0.10 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1h3b h TYR 100 CO -0.00 0.21 0.52 0.82 -1.64 0.00 0.00 178.16 178.07 1h3b h ILE 101 N -0.45 0.38 0.00 1.81 2.04 -0.81 -3.44 117.51 117.04 1h3b h ILE 101 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1h3b h ILE 101 Cb 0.37 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1h3b h ILE 101 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 1h3b n GLY 102 N -1.54 0.81 3.33 5.37 0.00 -0.83 -5.03 105.19 107.30 1h3b n GLY 102 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1h3b n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h3b s MET 103 N 0.00 3.24 0.33 1.61 -1.94 -1.03 -5.01 119.30 116.51 1h3b s MET 103 Ca 0.00 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 1h3b s MET 103 Cb 0.00 -2.52 -0.11 0.00 2.01 0.00 0.00 34.83 34.20 1h3b s MET 103 CO 0.00 0.23 1.55 0.45 -0.01 0.00 0.00 175.02 177.24 1h3b n SER 104 N 3.46 3.85 0.00 3.03 2.88 -1.26 -4.46 113.62 121.11 1h3b n SER 104 Ca -0.18 1.18 0.05 0.00 -1.33 0.00 0.00 58.87 58.59 1h3b n SER 104 Cb 0.53 -1.61 0.30 0.00 -0.75 0.00 0.00 64.21 62.68 1h3b n SER 104 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1h3b n ARG 105 N 1.37 0.32 -0.07 -1.46 1.85 -1.26 -2.65 116.66 114.76 1h3b n ARG 105 Ca 0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.71 1h3b n ARG 105 Cb 0.38 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.16 1h3b n ARG 105 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1h3b n ASP 106 N -1.00 2.04 -4.50 2.89 8.00 -1.26 -4.09 116.55 118.63 1h3b n ASP 106 Ca 0.08 0.01 -0.52 0.00 0.71 0.00 0.00 54.79 55.07 1h3b n ASP 106 Cb 0.04 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.48 1h3b n ASP 106 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h3b n GLU 107 N -3.37 0.40 -0.16 -1.24 1.02 -1.08 -4.26 120.64 111.94 1h3b n GLU 107 Ca -0.40 0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 56.84 1h3b n GLU 107 Cb 1.01 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.91 1h3b n GLU 107 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h3b n GLU 108 N 1.42 -0.16 -0.13 3.49 4.07 -1.26 -0.12 120.64 127.94 1h3b n GLU 108 Ca 0.18 0.59 -0.04 0.00 -0.06 0.00 0.00 57.16 57.82 1h3b n GLU 108 Cb 0.19 -0.87 0.04 0.00 -0.06 0.00 0.00 31.44 30.74 1h3b n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1h3b h PRO 109 N 0.00 0.27 -0.31 5.31 0.11 -1.96 -1.70 132.00 133.71 1h3b h PRO 109 Ca 0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1h3b h PRO 109 Cb 0.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1h3b h PRO 109 CO -0.37 0.18 0.16 0.52 -0.21 0.00 0.00 178.00 178.28 1h3b h MET 110 N 0.27 0.44 -0.08 1.05 2.86 -0.82 -2.44 114.93 116.22 1h3b h MET 110 Ca 0.21 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1h3b h MET 110 Cb 0.23 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1h3b h MET 110 CO -0.24 0.39 0.02 1.96 1.06 0.00 0.00 176.91 180.10 1h3b h GLN 111 N 0.38 0.06 -0.48 1.72 1.08 -1.03 0.11 115.11 116.95 1h3b h GLN 111 Ca 0.11 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1h3b h GLN 111 Cb 0.08 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1h3b h GLN 111 CO -0.02 0.04 0.31 0.87 -0.95 0.00 0.00 178.83 179.09 1h3b h LYS 112 N 0.06 0.63 -0.19 1.46 1.57 -1.30 -1.27 116.57 117.54 1h3b h LYS 112 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1h3b h LYS 112 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1h3b h LYS 112 CO -0.04 0.42 0.08 0.00 -0.57 0.00 0.00 179.45 179.34 1h3b h ALA 113 N 1.17 0.24 -0.86 3.86 0.00 -1.26 -2.73 119.26 119.68 1h3b h ALA 113 Ca 0.17 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1h3b h ALA 113 Cb -0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1h3b h ALA 113 CO -0.04 -0.18 0.53 1.25 0.00 0.00 0.00 179.25 180.80 1h3b h LEU 114 N 0.16 0.81 -0.86 0.00 6.46 -0.55 -0.12 115.31 121.21 1h3b h LEU 114 Ca 0.06 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1h3b h LEU 114 Cb 0.14 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1h3b h LEU 114 CO -0.01 0.50 0.39 -0.09 -0.62 0.00 0.00 178.44 178.62 1h3b h ARG 115 N 0.94 1.22 -0.57 1.25 2.43 -1.01 -0.80 114.38 117.84 1h3b h ARG 115 Ca 0.38 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1h3b h ARG 115 Cb 0.22 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1h3b h ARG 115 CO -0.19 0.94 0.04 0.35 -1.51 0.00 0.00 179.97 179.61 1h3b h PHE 116 N 1.20 1.01 -0.55 2.20 3.57 -0.98 0.12 116.94 123.52 1h3b h PHE 116 Ca 0.29 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1h3b h PHE 116 Cb 0.14 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1h3b h PHE 116 CO 0.02 0.89 0.29 0.82 -2.23 0.00 0.00 178.31 178.10 1h3b h ILE 117 N 0.88 1.19 -0.23 1.41 1.08 -0.41 -3.09 117.51 118.35 1h3b h ILE 117 Ca 0.17 -0.48 -0.09 0.00 -0.39 0.00 0.00 64.86 64.07 1h3b h ILE 117 Cb 0.46 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1h3b h ILE 117 CO 0.02 0.20 -0.22 1.56 -0.69 0.00 0.00 178.15 179.02 1h3b h GLN 118 N 0.74 0.55 0.00 2.37 4.20 -0.85 -1.39 115.11 120.73 1h3b h GLN 118 Ca 0.19 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1h3b h GLN 118 Cb 0.06 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1h3b h GLN 118 CO -0.03 0.87 0.00 -1.13 -0.67 0.00 0.00 178.83 177.87 1h3b n SER 119 N -4.40 0.00 -0.06 1.46 3.41 0.00 -1.13 113.62 112.91 1h3b n SER 119 Ca -0.05 -0.08 0.02 0.00 -0.26 0.00 0.00 58.87 58.50 1h3b n SER 119 Cb 0.42 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1h3b n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h3b n GLN 120 N -0.92 3.85 0.00 4.33 1.13 -1.06 -4.97 117.38 119.74 1h3b n GLN 120 Ca 0.01 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 1h3b n GLN 120 Cb 0.01 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 29.53 1h3b n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h3b n GLY 121 N 0.87 1.12 7.00 1.08 0.00 -0.28 -4.39 105.19 110.59 1h3b n GLY 121 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h3b n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 122 N -1.47 0.88 0.32 -0.02 0.00 -0.55 -3.50 105.19 100.85 1h3b n GLY 122 Ca 0.00 -0.83 0.31 0.00 0.00 0.00 0.00 46.02 45.50 1h3b n GLY 122 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1h3b n ILE 123 N 0.00 -0.42 0.19 -0.61 0.13 -0.45 -0.96 119.36 117.23 1h3b n ILE 123 Ca 0.00 2.04 0.03 0.00 -1.10 0.00 0.00 62.75 63.72 1h3b n ILE 123 Cb 0.00 -3.29 0.11 0.00 -0.84 0.00 0.00 39.64 35.62 1h3b n ILE 123 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1h3b n GLU 124 N -5.28 0.01 -0.12 9.51 -0.58 -1.23 -2.03 120.64 120.93 1h3b n GLU 124 Ca 0.37 0.38 0.10 0.00 -0.42 0.00 0.00 57.16 57.59 1h3b n GLU 124 Cb 1.25 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 30.77 1h3b n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1h3b n SER 125 N -1.47 2.99 -4.88 1.62 7.64 -0.14 -4.51 113.62 114.87 1h3b n SER 125 Ca 0.01 -1.88 -0.30 0.00 1.01 0.00 0.00 58.87 57.72 1h3b n SER 125 Cb 0.06 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1h3b n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h3b s SER 126 N -1.38 6.51 1.06 6.43 1.04 -0.86 -4.58 113.70 121.92 1h3b s SER 126 Ca 0.29 1.05 -0.16 0.00 0.48 0.00 0.00 55.95 57.61 1h3b s SER 126 Cb 0.18 -2.29 0.10 0.00 0.10 0.00 0.00 66.02 64.12 1h3b s SER 126 CO 0.25 -0.36 0.29 -2.11 0.98 0.00 0.00 173.24 172.30 1h3b n ARG 127 N -1.22 -1.19 -0.05 4.02 1.85 -1.26 -4.76 116.66 114.04 1h3b n ARG 127 Ca 0.02 -0.32 -0.08 0.00 -1.00 0.00 0.00 57.85 56.46 1h3b n ARG 127 Cb 0.54 -1.83 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 1h3b n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h3b h VAL 128 N -1.95 0.88 -0.29 8.89 2.07 -1.91 -3.02 116.25 120.92 1h3b h VAL 128 Ca -0.51 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1h3b h VAL 128 Cb 1.33 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1h3b h VAL 128 CO 0.38 0.02 -0.14 -0.26 0.02 0.00 0.00 177.57 177.59 1h3b h PHE 129 N 0.12 -0.35 -0.85 1.57 0.04 -1.91 0.16 116.94 115.72 1h3b h PHE 129 Ca 0.11 0.03 0.11 0.00 2.80 0.00 0.00 57.97 61.02 1h3b h PHE 129 Cb 0.11 0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.38 1h3b h PHE 129 CO -0.16 -0.22 0.48 1.15 -0.60 0.00 0.00 178.31 178.96 1h3b h THR 130 N -0.10 0.86 0.00 -1.55 2.02 -1.88 0.45 112.91 112.70 1h3b h THR 130 Ca 0.15 -0.26 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1h3b h THR 130 Cb 0.33 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1h3b h THR 130 CO -0.36 0.14 -0.66 0.03 0.37 0.00 0.00 175.52 175.04 1h3b h ARG 131 N 0.76 0.00 -0.25 6.66 3.08 -1.24 -2.22 114.38 121.16 1h3b h ARG 131 Ca 0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.32 1h3b h ARG 131 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1h3b h ARG 131 CO -0.28 0.66 -0.45 1.98 -1.07 0.00 0.00 179.97 180.81 1h3b h MET 132 N 0.00 0.75 -0.29 0.04 4.05 0.16 0.15 114.93 119.80 1h3b h MET 132 Ca -0.01 -0.47 -0.02 0.00 -0.28 0.00 0.00 59.70 58.93 1h3b h MET 132 Cb 1.17 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1h3b h MET 132 CO 0.09 1.10 0.12 -1.49 0.23 0.00 0.00 176.91 176.95 1h3b h TRP 133 N 0.49 0.44 -0.19 1.39 4.06 -0.16 -0.62 115.95 121.36 1h3b h TRP 133 Ca 0.02 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 1h3b h TRP 133 Cb 1.05 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1h3b h TRP 133 CO 0.08 0.43 0.02 -0.07 -3.56 0.00 0.00 178.44 175.34 1h3b h LEU 134 N 0.32 0.24 -0.63 -4.49 3.38 -1.33 -1.17 115.31 111.63 1h3b h LEU 134 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1h3b h LEU 134 Cb 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1h3b h LEU 134 CO -0.01 0.27 0.16 0.00 0.09 0.00 0.00 178.44 178.96 1h3b h ALA 135 N 1.76 0.82 -0.40 1.53 0.00 0.12 0.14 119.26 123.25 1h3b h ALA 135 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1h3b h ALA 135 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1h3b h ALA 135 CO 0.00 0.52 0.26 -0.07 0.00 0.00 0.00 179.25 179.97 1h3b h LEU 136 N 0.91 0.40 -2.43 0.00 3.38 0.14 -1.39 115.31 116.32 1h3b h LEU 136 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1h3b h LEU 136 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1h3b h LEU 136 CO -0.00 0.28 0.00 1.33 0.09 0.00 0.00 178.44 180.14 1h3b n VAL 137 N -4.48 0.81 -1.40 1.22 0.24 -1.09 0.40 118.33 114.03 1h3b n VAL 137 Ca 0.04 -0.86 -0.02 0.00 -2.04 0.00 0.00 64.34 61.45 1h3b n VAL 137 Cb 0.12 0.56 -0.01 0.00 -1.47 0.00 0.00 33.84 33.04 1h3b n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h3b n GLY 138 N 1.56 0.46 1.61 7.63 0.00 -0.53 -3.15 105.19 112.77 1h3b n GLY 138 Ca 0.22 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 1h3b n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h3b n GLU 139 N -2.35 3.40 -3.65 1.61 -0.58 0.44 -4.92 120.64 114.60 1h3b n GLU 139 Ca -0.02 -3.05 -0.00 0.00 -0.42 0.00 0.00 57.16 53.66 1h3b n GLU 139 Cb 0.23 -2.08 -0.06 0.00 -0.57 0.00 0.00 31.44 28.95 1h3b n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1h3b s TYR 140 N -2.97 -0.23 -0.00 -0.32 6.14 -1.24 -4.82 117.35 113.91 1h3b s TYR 140 Ca 0.51 0.48 -0.35 0.00 0.64 0.00 0.00 57.07 58.34 1h3b s TYR 140 Cb 0.41 0.20 -0.14 0.00 0.42 0.00 0.00 41.96 42.85 1h3b s TYR 140 CO 0.11 -0.12 1.66 -0.35 0.64 0.00 0.00 175.55 177.50 1h3b n PRO 141 N 3.05 1.83 -0.00 4.97 -0.04 -1.26 -4.22 135.00 139.32 1h3b n PRO 141 Ca -0.17 0.67 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1h3b n PRO 141 Cb 0.57 -2.43 0.38 0.00 -0.04 0.00 0.00 33.50 31.98 1h3b n PRO 141 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1h3b h TRP 142 N 6.99 0.53 0.00 0.54 4.06 -1.96 -2.43 115.95 123.69 1h3b h TRP 142 Ca -0.47 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.47 1h3b h TRP 142 Cb 1.28 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 1h3b h TRP 142 CO 0.73 0.40 0.00 -0.85 -3.56 0.00 0.00 178.44 175.16 1h3b n GLU 143 N -4.41 0.19 -0.18 0.49 0.00 -1.26 -1.81 120.64 113.65 1h3b n GLU 143 Ca 0.03 0.16 0.12 0.00 0.00 0.00 0.00 57.16 57.46 1h3b n GLU 143 Cb 0.12 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.28 1h3b n GLU 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1h3b n LYS 144 N -1.30 2.49 -3.91 3.44 5.02 -0.91 -4.89 118.16 118.09 1h3b n LYS 144 Ca 0.07 -2.24 -0.35 0.00 -2.02 0.00 0.00 58.31 53.76 1h3b n LYS 144 Cb 0.12 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 1h3b n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h3b s VAL 145 N -1.51 5.03 0.30 -0.18 1.01 -0.75 -5.06 120.40 119.23 1h3b s VAL 145 Ca 0.39 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 1h3b s VAL 145 Cb 0.23 -3.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.20 1h3b s VAL 145 CO 0.32 0.46 1.08 -2.65 0.00 0.00 0.00 175.10 174.31 1h3b n PRO 146 N 3.42 1.52 -3.83 2.72 -0.02 -1.26 -4.94 135.00 132.60 1h3b n PRO 146 Ca -0.17 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 1h3b n PRO 146 Cb 0.52 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1h3b n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h3b s MET 147 N -1.58 3.51 -0.19 -0.52 1.75 -1.26 -4.85 119.30 116.16 1h3b s MET 147 Ca 0.58 -0.13 -0.03 0.00 -1.25 0.00 0.00 55.69 54.86 1h3b s MET 147 Cb -0.68 -3.14 0.06 0.00 2.84 0.00 0.00 34.83 33.92 1h3b s MET 147 CO 0.60 0.71 0.05 0.08 -0.65 0.00 0.00 175.02 175.82 1h3b s VAL 148 N -1.18 0.34 0.22 10.11 1.01 -1.26 -4.86 120.40 124.78 1h3b s VAL 148 Ca 0.22 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1h3b s VAL 148 Cb -0.13 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 1h3b s VAL 148 CO 0.12 -0.25 0.78 -2.16 0.00 0.00 0.00 175.10 173.59 1h3b s PRO 149 N 1.94 4.41 0.62 2.72 0.04 -1.26 -4.26 135.00 139.21 1h3b s PRO 149 Ca 0.00 1.04 0.36 0.00 0.04 0.00 0.00 61.00 62.44 1h3b s PRO 149 Cb -0.17 -2.99 2.07 0.00 0.04 0.00 0.00 34.50 33.45 1h3b s PRO 149 CO -0.09 0.43 2.30 -1.00 0.04 0.00 0.00 177.00 178.69 1h3b h PRO 150 N 3.67 0.00 0.00 0.56 0.13 -1.92 -0.47 132.00 133.97 1h3b h PRO 150 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1h3b h PRO 150 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h3b h PRO 150 CO 0.65 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.36 1h3b h GLU 151 N 0.00 0.00 -0.11 0.86 3.07 -1.92 -0.32 114.58 116.16 1h3b h GLU 151 Ca -0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1h3b h GLU 151 Cb 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1h3b h GLU 151 CO 0.00 0.00 0.34 0.97 -1.40 0.00 0.00 179.01 178.92 1h3b h ILE 152 N 0.00 0.12 0.00 3.13 2.10 -1.47 0.23 117.51 121.62 1h3b h ILE 152 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1h3b h ILE 152 Cb 0.05 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1h3b h ILE 152 CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1h3b n MET 153 N -3.16 0.03 0.07 2.19 2.81 -0.13 -2.72 117.12 116.21 1h3b n MET 153 Ca 0.00 0.35 0.07 0.00 -1.81 0.00 0.00 57.70 56.31 1h3b n MET 153 Cb 0.42 -1.56 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 1h3b n MET 153 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1h3b n PHE 154 N -1.62 0.96 -1.68 2.03 3.72 0.81 -4.89 117.46 116.80 1h3b n PHE 154 Ca 0.02 0.30 -0.46 0.00 -0.05 0.00 0.00 57.45 57.26 1h3b n PHE 154 Cb 0.13 -1.01 -0.04 0.00 -0.94 0.00 0.00 39.48 37.62 1h3b n PHE 154 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1h3b n LEU 155 N -2.76 3.65 -4.75 4.37 4.77 -1.10 -4.93 117.00 116.25 1h3b n LEU 155 Ca -0.04 0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 56.60 1h3b n LEU 155 Cb 0.67 -1.42 0.12 0.00 -2.33 0.00 0.00 43.42 40.46 1h3b n LEU 155 CO 0.41 0.01 0.68 -0.83 -1.33 0.00 0.00 177.39 176.34 1h3b s GLY 156 N 3.95 1.63 0.31 -0.72 0.00 -1.26 -4.69 107.32 106.54 1h3b s GLY 156 Ca 0.91 -0.05 0.16 0.00 0.00 0.00 0.00 44.72 45.74 1h3b s GLY 156 CO 0.48 0.41 1.36 0.28 0.00 0.00 0.00 173.10 175.62 1h3b n LYS 157 N -3.72 -0.05 -3.62 2.90 5.02 -1.26 -2.42 118.16 115.00 1h3b n LYS 157 Ca 0.07 1.20 -0.32 0.00 -2.02 0.00 0.00 58.31 57.24 1h3b n LYS 157 Cb 0.55 -2.13 -0.08 0.00 -0.02 0.00 0.00 35.03 33.36 1h3b n LYS 157 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1h3b n ARG 158 N -4.99 2.55 -3.66 1.97 0.00 -1.26 -4.94 116.66 106.32 1h3b n ARG 158 Ca 0.31 -4.53 -0.11 0.00 -0.00 0.00 0.00 57.85 53.52 1h3b n ARG 158 Cb 1.05 -2.35 -0.08 0.00 -0.00 0.00 0.00 32.46 31.07 1h3b n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1h3b s MET 159 N -1.75 0.64 0.02 2.89 -1.94 -1.02 -5.11 119.30 113.03 1h3b s MET 159 Ca 0.30 0.96 -0.38 0.00 -1.71 0.00 0.00 55.69 54.86 1h3b s MET 159 Cb -0.01 0.19 -0.17 0.00 2.01 0.00 0.00 34.83 36.86 1h3b s MET 159 CO -0.10 -0.12 1.39 -0.35 -0.01 0.00 0.00 175.02 175.83 1h3b n PRO 160 N 3.63 1.05 -1.10 2.03 -0.04 -1.26 -1.64 135.00 137.67 1h3b n PRO 160 Ca -0.18 0.38 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1h3b n PRO 160 Cb 0.57 -2.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 1h3b n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1h3b n LEU 161 N 2.91 -0.13 -4.79 1.53 4.77 -1.26 -5.03 117.00 115.00 1h3b n LEU 161 Ca 0.20 0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.92 1h3b n LEU 161 Cb 0.17 -1.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 1h3b n LEU 161 CO 0.65 -0.30 0.75 0.54 -1.33 0.00 0.00 177.39 177.70 1h3b s ASN 162 N -2.54 6.14 0.40 -1.43 2.20 -0.65 -4.86 114.94 114.21 1h3b s ASN 162 Ca 0.00 2.05 0.12 0.00 -0.94 0.00 0.00 52.86 54.09 1h3b s ASN 162 Cb 0.00 -2.57 0.65 0.00 -2.00 0.00 0.00 41.25 37.33 1h3b s ASN 162 CO 0.00 -0.92 1.25 0.16 -2.94 0.00 0.00 177.10 174.65 1h3b h ILE 163 N 1.50 0.00 -0.37 0.54 3.07 -1.84 0.10 117.51 120.52 1h3b h ILE 163 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1h3b h ILE 163 Cb 1.24 0.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 1h3b h ILE 163 CO 0.59 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.47 1h3b n TYR 164 N -2.15 0.49 0.97 0.16 4.01 -1.26 -3.38 117.16 116.00 1h3b n TYR 164 Ca -0.01 -0.25 0.10 0.00 -0.16 0.00 0.00 57.90 57.59 1h3b n TYR 164 Cb 0.47 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 1h3b n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h3b n GLU 165 N 0.73 0.61 -3.36 -0.72 1.02 0.35 -4.92 120.64 114.35 1h3b n GLU 165 Ca 0.15 -0.39 -0.27 0.00 -0.02 0.00 0.00 57.16 56.63 1h3b n GLU 165 Cb 0.38 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 1h3b n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1h3b s PHE 166 N -2.74 3.49 0.67 -0.32 0.40 -1.22 -4.67 117.98 113.59 1h3b s PHE 166 Ca 0.12 0.55 -0.15 0.00 -0.60 0.00 0.00 56.93 56.84 1h3b s PHE 166 Cb 0.16 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1h3b s PHE 166 CO 0.73 0.17 1.13 0.20 0.70 0.00 0.00 175.22 178.15 1h3b s GLY 167 N -3.38 2.21 0.28 4.36 0.00 0.87 -4.66 107.32 107.01 1h3b s GLY 167 Ca 0.42 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.79 1h3b s GLY 167 CO 0.32 0.98 1.70 1.48 0.00 0.00 0.00 173.10 177.58 1h3b h SER 168 N 0.03 0.30 -0.40 1.64 4.64 -1.94 0.17 113.55 117.98 1h3b h SER 168 Ca -0.47 0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1h3b h SER 168 Cb 1.26 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1h3b h SER 168 CO 0.53 0.01 -0.09 4.11 -0.87 0.00 0.00 176.83 180.52 1h3b h TRP 169 N 0.40 0.92 0.00 4.77 0.09 -1.95 -3.13 115.95 117.04 1h3b h TRP 169 Ca 0.54 -0.17 -0.21 0.00 0.09 0.00 0.00 58.89 59.14 1h3b h TRP 169 Cb 0.99 -0.24 -0.03 0.00 0.08 0.00 0.00 29.16 29.97 1h3b h TRP 169 CO -0.15 0.88 -1.07 0.00 0.09 0.00 0.00 178.44 178.19 1h3b h ALA 170 N 1.14 0.46 0.15 0.11 0.00 -1.51 -3.31 119.26 116.29 1h3b h ALA 170 Ca 0.13 -0.95 0.02 0.00 0.00 0.00 0.00 54.91 54.11 1h3b h ALA 170 Cb 0.58 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1h3b h ALA 170 CO 0.04 1.23 -0.34 -0.09 0.00 0.00 0.00 179.25 180.08 1h3b h ARG 171 N 0.00 -0.57 -0.84 0.00 2.43 -0.67 0.12 114.38 114.85 1h3b h ARG 171 Ca -0.06 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1h3b h ARG 171 Cb 1.76 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 31.40 1h3b h ARG 171 CO 0.11 -0.38 0.45 0.00 -1.51 0.00 0.00 179.97 178.65 1h3b h ALA 172 N 0.00 1.08 -0.44 2.80 0.00 -1.71 -2.24 119.26 118.75 1h3b h ALA 172 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1h3b h ALA 172 Cb 0.61 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1h3b h ALA 172 CO -0.18 0.59 0.25 1.15 0.00 0.00 0.00 179.25 181.06 1h3b h THR 173 N 1.17 1.15 -0.15 0.00 2.02 -1.55 -1.77 112.91 113.78 1h3b h THR 173 Ca 0.30 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1h3b h THR 173 Cb 0.04 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1h3b h THR 173 CO -0.05 0.16 0.01 0.58 0.37 0.00 0.00 175.52 176.59 1h3b h VAL 174 N 0.58 0.90 0.28 3.16 2.07 -0.41 -0.49 116.25 122.34 1h3b h VAL 174 Ca 0.16 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1h3b h VAL 174 Cb 0.04 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1h3b h VAL 174 CO -0.03 0.01 -0.16 0.58 0.02 0.00 0.00 177.57 177.99 1h3b h VAL 175 N 0.06 0.66 -0.70 2.57 2.07 -1.25 0.01 116.25 119.68 1h3b h VAL 175 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1h3b h VAL 175 Cb 0.08 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1h3b h VAL 175 CO -0.11 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.81 1h3b h ALA 176 N 0.29 0.96 -0.49 1.67 0.00 -1.20 -2.48 119.26 118.01 1h3b h ALA 176 Ca -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1h3b h ALA 176 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1h3b h ALA 176 CO 0.04 -0.07 0.07 -0.07 0.00 0.00 0.00 179.25 179.22 1h3b h LEU 177 N 0.57 0.79 -1.73 0.00 3.38 -0.74 -2.89 115.31 114.69 1h3b h LEU 177 Ca 0.35 -0.27 0.23 0.00 0.09 0.00 0.00 57.88 58.28 1h3b h LEU 177 Cb 0.38 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1h3b h LEU 177 CO -0.28 0.86 0.61 0.77 0.09 0.00 0.00 178.44 180.49 1h3b h SER 178 N 0.70 0.22 -0.08 -0.43 4.64 -0.51 0.59 113.55 118.67 1h3b h SER 178 Ca 0.15 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1h3b h SER 178 Cb 0.41 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1h3b h SER 178 CO 0.01 0.08 -0.07 0.40 -0.87 0.00 0.00 176.83 176.38 1h3b h ILE 179 N 0.22 1.36 -0.12 0.95 1.08 -1.47 -2.17 117.51 117.35 1h3b h ILE 179 Ca 0.44 -1.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1h3b h ILE 179 Cb 1.40 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 1h3b h ILE 179 CO -0.10 0.34 0.07 0.58 -0.69 0.00 0.00 178.15 178.34 1h3b h VAL 180 N -0.21 1.08 0.00 1.67 2.07 -0.05 -2.21 116.25 118.60 1h3b h VAL 180 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1h3b h VAL 180 Cb 0.58 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1h3b h VAL 180 CO 0.02 0.08 0.00 0.23 0.02 0.00 0.00 177.57 177.92 1h3b n MET 181 N -4.96 0.20 0.01 1.57 2.81 0.16 0.03 117.12 116.94 1h3b n MET 181 Ca -0.05 0.41 -0.18 0.00 -1.81 0.00 0.00 57.70 56.06 1h3b n MET 181 Cb 0.07 -1.87 -0.10 0.00 -0.71 0.00 0.00 33.22 30.61 1h3b n MET 181 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1h3b h SER 182 N 0.00 0.79 0.79 7.83 0.87 -0.78 -3.30 113.55 119.75 1h3b h SER 182 Ca 0.00 -0.71 -0.08 0.00 -1.23 0.00 0.00 61.79 59.77 1h3b h SER 182 Cb 0.40 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1h3b h SER 182 CO 0.00 1.39 -1.27 0.54 -0.53 0.00 0.00 176.83 176.96 1h3b n ARG 183 N -4.01 0.62 -3.79 2.24 5.12 -1.01 -5.01 116.66 110.83 1h3b n ARG 183 Ca -0.10 0.14 -0.26 0.00 -1.93 0.00 0.00 57.85 55.70 1h3b n ARG 183 Cb 0.77 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1h3b n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1h3b n GLN 184 N -2.74 -1.35 -2.18 5.56 6.02 0.10 -4.93 117.38 117.87 1h3b n GLN 184 Ca -0.05 0.70 -0.30 0.00 -0.01 0.00 0.00 57.00 57.34 1h3b n GLN 184 Cb 0.69 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.40 1h3b n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h3b s PRO 185 N -5.19 3.61 -0.05 -1.09 0.04 -1.26 -5.09 135.00 125.97 1h3b s PRO 185 Ca 0.08 0.58 -0.00 0.00 0.04 0.00 0.00 61.00 61.69 1h3b s PRO 185 Cb -0.04 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1h3b s PRO 185 CO 0.90 -0.42 -0.01 0.08 0.04 0.00 0.00 177.00 177.59 1h3b s VAL 186 N -2.98 0.35 -0.67 -0.36 1.01 -1.26 -4.57 120.40 111.92 1h3b s VAL 186 Ca 0.53 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1h3b s VAL 186 Cb -0.11 -0.47 0.17 0.00 0.00 0.00 0.00 36.38 35.97 1h3b s VAL 186 CO 0.49 0.22 0.48 -0.36 0.00 0.00 0.00 175.10 175.93 1h3b s PHE 187 N 1.52 3.48 0.24 5.22 0.08 0.16 -4.97 117.98 123.72 1h3b s PHE 187 Ca -0.02 -3.02 -0.29 0.00 0.12 0.00 0.00 56.93 53.72 1h3b s PHE 187 Cb -0.13 -3.02 -0.15 0.00 -0.57 0.00 0.00 43.02 39.15 1h3b s PHE 187 CO -0.03 -0.74 0.83 -2.30 -0.10 0.00 0.00 175.22 172.88 1h3b n PRO 188 N 2.85 0.79 -3.36 0.24 -0.02 -1.26 -4.20 135.00 130.05 1h3b n PRO 188 Ca 0.12 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1h3b n PRO 188 Cb 0.36 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 1h3b n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h3b s LEU 189 N 1.44 4.15 0.87 2.45 1.43 -1.19 -5.02 118.68 122.81 1h3b s LEU 189 Ca 0.62 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1h3b s LEU 189 Cb -0.81 -3.76 0.12 0.00 0.03 0.00 0.00 46.19 41.77 1h3b s LEU 189 CO 0.58 -0.10 1.15 -2.16 0.23 0.00 0.00 176.35 176.05 1h3b s PRO 190 N -2.85 1.34 0.16 1.29 0.04 -1.26 -4.79 135.00 128.92 1h3b s PRO 190 Ca 0.49 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1h3b s PRO 190 Cb -0.11 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1h3b s PRO 190 CO 0.20 -2.39 1.71 0.93 0.04 0.00 0.00 177.00 177.49 1h3b h GLU 191 N -1.53 0.11 0.00 4.56 5.08 -1.98 -2.43 114.58 118.39 1h3b h GLU 191 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1h3b h GLU 191 Cb 1.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1h3b h GLU 191 CO 0.44 0.08 0.52 0.07 -1.00 0.00 0.00 179.01 179.12 1h3b h ARG 192 N 0.12 0.00 -0.00 2.33 0.11 -1.99 -1.54 114.38 113.41 1h3b h ARG 192 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 1h3b h ARG 192 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1h3b h ARG 192 CO -0.27 0.00 -0.03 0.00 0.10 0.00 0.00 179.97 179.77 1h3b n ALA 193 N -1.59 2.42 -1.69 0.08 0.00 -0.92 -4.95 120.51 113.86 1h3b n ALA 193 Ca -0.01 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1h3b n ALA 193 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 1h3b n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h3b n ARG 194 N -0.26 2.12 -2.95 0.00 1.74 -0.58 -4.74 116.66 111.98 1h3b n ARG 194 Ca 0.01 0.75 -0.28 0.00 -0.77 0.00 0.00 57.85 57.56 1h3b n ARG 194 Cb 0.05 -2.36 -0.04 0.00 -1.02 0.00 0.00 32.46 29.09 1h3b n ARG 194 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1h3b n VAL 195 N 0.84 3.32 0.26 1.55 0.24 -1.26 -4.83 118.33 118.44 1h3b n VAL 195 Ca 0.07 -5.60 0.09 0.00 -2.04 0.00 0.00 64.34 56.86 1h3b n VAL 195 Cb 0.35 -1.47 0.68 0.00 -1.47 0.00 0.00 33.84 31.92 1h3b n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h3b h PRO 196 N 3.20 0.00 0.00 7.34 0.13 -1.95 -2.63 132.00 138.09 1h3b h PRO 196 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h3b h PRO 196 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1h3b h PRO 196 CO 0.86 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.80 1h3b n GLU 197 N -4.38 0.00 0.00 0.86 0.00 -1.26 -0.44 120.64 115.42 1h3b n GLU 197 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.24 1h3b n GLU 197 Cb 0.11 -1.08 0.03 0.00 0.00 0.00 0.00 31.44 30.49 1h3b n GLU 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1h3b n LEU 198 N -0.55 0.98 -0.09 -1.84 4.77 -0.99 -4.08 117.00 115.20 1h3b n LEU 198 Ca 0.00 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 1h3b n LEU 198 Cb 0.00 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 40.86 1h3b n LEU 198 CO 0.00 0.23 -1.11 -1.22 -1.33 0.00 0.00 177.39 173.96 1h3b n TYR 199 N -1.27 0.10 -1.53 -1.77 4.01 0.41 -1.34 117.16 115.77 1h3b n TYR 199 Ca 0.06 0.03 -0.15 0.00 -0.16 0.00 0.00 57.90 57.68 1h3b n TYR 199 Cb 0.35 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.24 1h3b n TYR 199 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h3b n GLU 200 N -2.80 0.09 -3.66 -0.72 1.02 -1.24 -4.80 120.64 108.52 1h3b n GLU 200 Ca -0.32 -1.67 -0.15 0.00 -0.02 0.00 0.00 57.16 55.00 1h3b n GLU 200 Cb 1.14 -3.88 -0.08 0.00 -0.02 0.00 0.00 31.44 28.61 1h3b n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1h3b s THR 201 N 17.00 0.03 -0.19 2.62 2.01 -1.26 -4.91 115.64 130.95 1h3b s THR 201 Ca 0.81 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1h3b s THR 201 Cb -0.04 -0.78 -0.22 0.00 0.01 0.00 0.00 72.50 71.47 1h3b s THR 201 CO 0.20 -0.13 0.08 -0.90 -0.69 0.00 0.00 174.62 173.18 1h3b n ASP 202 N 1.27 1.77 -4.44 3.53 5.75 -1.26 -4.96 116.55 118.20 1h3b n ASP 202 Ca -0.20 0.04 -0.48 0.00 -0.01 0.00 0.00 54.79 54.14 1h3b n ASP 202 Cb 0.56 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1h3b n ASP 202 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1h3b n VAL 203 N -3.28 1.90 -2.50 2.12 0.31 -1.26 -4.86 118.33 110.76 1h3b n VAL 203 Ca -0.38 -0.47 -0.40 0.00 -0.01 0.00 0.00 64.34 63.08 1h3b n VAL 203 Cb 1.03 -0.21 -0.04 0.00 -0.91 0.00 0.00 33.84 33.71 1h3b n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1h3b s PRO 204 N -1.05 4.60 -0.01 5.55 0.04 -1.26 -4.52 135.00 138.34 1h3b s PRO 204 Ca 0.64 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1h3b s PRO 204 Cb -0.90 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 30.44 1h3b s PRO 204 CO 0.57 0.19 1.98 -1.25 0.04 0.00 0.00 177.00 178.53 1h3b s PRO 205 N -1.55 3.99 -1.13 0.56 0.04 -1.26 -4.63 135.00 131.02 1h3b s PRO 205 Ca 0.46 2.48 -0.07 0.00 0.04 0.00 0.00 61.00 63.91 1h3b s PRO 205 Cb -0.30 -4.18 0.27 0.00 0.04 0.00 0.00 34.50 30.33 1h3b s PRO 205 CO 0.39 -1.12 1.41 2.89 0.04 0.00 0.00 177.00 180.60 1h3b n ARG 206 N 7.69 3.97 -2.17 4.56 1.85 -1.26 -4.97 116.66 126.34 1h3b n ARG 206 Ca 0.21 -4.34 -0.41 0.00 -1.00 0.00 0.00 57.85 52.31 1h3b n ARG 206 Cb 0.42 -2.62 -0.03 0.00 -1.05 0.00 0.00 32.46 29.18 1h3b n ARG 206 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1h3b s ARG 207 N -1.53 4.37 0.02 2.89 3.52 -1.26 -4.79 118.95 122.16 1h3b s ARG 207 Ca 0.33 2.12 -0.25 0.00 -0.13 0.00 0.00 55.73 57.80 1h3b s ARG 207 Cb -0.00 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 1h3b s ARG 207 CO 0.02 -0.26 0.77 0.50 -0.81 0.00 0.00 175.30 175.52 1h3b s ARG 208 N -0.51 4.49 0.59 5.12 3.52 -1.26 -5.07 118.95 125.82 1h3b s ARG 208 Ca 0.55 1.05 0.05 0.00 -0.13 0.00 0.00 55.73 57.25 1h3b s ARG 208 Cb -0.38 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 29.70 1h3b s ARG 208 CO 0.42 0.21 0.81 0.20 -0.81 0.00 0.00 175.30 176.13 1h3b s GLY 209 N 0.21 1.80 0.63 8.12 0.00 -1.26 -4.99 107.32 111.83 1h3b s GLY 209 Ca 0.39 -1.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.15 1h3b s GLY 209 CO 0.22 -1.38 0.65 0.00 0.00 0.00 0.00 173.10 172.59 1h3b n ALA 210 N -2.37 -0.91 -0.25 3.20 0.00 -1.26 -4.69 120.51 114.24 1h3b n ALA 210 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1h3b n ALA 210 Cb 0.60 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1h3b n ALA 210 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h3b n LYS 211 N -0.57 -0.26 -1.22 0.00 4.76 -0.96 -2.19 118.16 117.73 1h3b n LYS 211 Ca 0.12 1.27 -0.23 0.00 -2.87 0.00 0.00 58.31 56.60 1h3b n LYS 211 Cb 0.48 -1.88 0.18 0.00 -1.84 0.00 0.00 35.03 31.97 1h3b n LYS 211 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h3b n GLY 212 N -1.15 4.52 0.00 0.72 0.00 -0.40 -5.03 105.19 103.85 1h3b n GLY 212 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1h3b n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 213 N -1.15 0.05 3.26 -0.02 0.00 -0.93 -4.94 105.19 101.46 1h3b n GLY 213 Ca 0.59 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1h3b n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 214 N -1.19 1.73 0.37 -0.02 0.00 -1.26 -4.57 107.32 102.38 1h3b s GLY 214 Ca 0.00 -1.54 -0.27 0.00 0.00 0.00 0.00 44.72 42.91 1h3b s GLY 214 CO 0.00 0.63 1.35 -0.32 0.00 0.00 0.00 173.10 174.75 1h3b s GLY 215 N 1.39 2.96 0.56 0.20 0.00 -1.26 -4.84 107.32 106.33 1h3b s GLY 215 Ca -0.00 1.32 0.26 0.00 0.00 0.00 0.00 44.72 46.30 1h3b s GLY 215 CO -0.00 1.96 1.77 0.11 0.00 0.00 0.00 173.10 176.93 1h3b h TRP 216 N 3.02 0.00 0.37 1.90 5.08 -1.99 -1.70 115.95 122.63 1h3b h TRP 216 Ca -0.50 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.46 1h3b h TRP 216 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1h3b h TRP 216 CO 0.54 0.00 -0.18 0.82 -1.28 0.00 0.00 178.44 178.35 1h3b h ILE 217 N 0.00 0.64 -0.67 0.12 2.04 -1.99 -0.68 117.51 116.97 1h3b h ILE 217 Ca 0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1h3b h ILE 217 Cb 0.59 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1h3b h ILE 217 CO 0.00 0.07 0.27 -0.26 0.00 0.00 0.00 178.15 178.22 1h3b h PHE 218 N -0.70 1.01 -0.58 1.37 0.04 -1.69 0.48 116.94 116.88 1h3b h PHE 218 Ca -0.05 -0.08 0.10 0.00 2.80 0.00 0.00 57.97 60.74 1h3b h PHE 218 Cb 0.49 -0.30 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 1h3b h PHE 218 CO -0.00 0.79 0.16 0.22 -0.60 0.00 0.00 178.31 178.88 1h3b h ASP 219 N 0.94 0.09 -0.08 2.17 3.58 -1.41 0.38 116.42 122.09 1h3b h ASP 219 Ca 0.22 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 1h3b h ASP 219 Cb 0.21 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1h3b h ASP 219 CO -0.02 0.06 -0.07 0.00 -2.88 0.00 0.00 179.24 176.33 1h3b h ALA 220 N 1.43 0.12 -0.82 -0.78 0.00 -0.44 -2.79 119.26 115.98 1h3b h ALA 220 Ca 0.30 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1h3b h ALA 220 Cb 0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1h3b h ALA 220 CO -0.35 -0.07 0.37 1.25 0.00 0.00 0.00 179.25 180.45 1h3b h LEU 221 N -0.23 0.38 0.58 0.00 5.85 0.78 0.27 115.31 122.93 1h3b h LEU 221 Ca 0.01 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1h3b h LEU 221 Cb 0.57 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1h3b h LEU 221 CO 0.02 0.12 -0.30 -0.78 -0.34 0.00 0.00 178.44 177.16 1h3b h ASP 222 N 0.50 -0.74 -1.00 1.25 3.58 -0.24 0.06 116.42 119.83 1h3b h ASP 222 Ca 0.46 0.03 0.19 0.00 0.42 0.00 0.00 57.03 58.14 1h3b h ASP 222 Cb 0.73 0.20 -0.10 0.00 1.72 0.00 0.00 39.33 41.88 1h3b h ASP 222 CO -0.42 -0.50 0.61 0.03 -2.88 0.00 0.00 179.24 176.09 1h3b h ARG 223 N -0.81 0.71 0.49 0.28 3.08 -0.93 0.24 114.38 117.43 1h3b h ARG 223 Ca -0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1h3b h ARG 223 Cb 0.64 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1h3b h ARG 223 CO 0.11 0.47 -0.30 0.00 -1.07 0.00 0.00 179.97 179.18 1h3b h ALA 224 N 1.64 -0.75 -0.92 0.04 0.00 0.20 -2.15 119.26 117.32 1h3b h ALA 224 Ca 0.57 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.42 1h3b h ALA 224 Cb 0.93 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1h3b h ALA 224 CO -0.37 -0.94 0.59 -0.07 0.00 0.00 0.00 179.25 178.47 1h3b h LEU 225 N -0.75 0.89 -1.43 0.00 3.38 0.87 0.25 115.31 118.51 1h3b h LEU 225 Ca -0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1h3b h LEU 225 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1h3b h LEU 225 CO 0.06 0.55 -0.18 0.45 0.09 0.00 0.00 178.44 179.40 1h3b h HIS 226 N 1.00 0.00 0.00 1.13 3.86 -0.90 0.20 115.15 120.45 1h3b h HIS 226 Ca 0.41 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1h3b h HIS 226 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1h3b h HIS 226 CO -0.00 0.18 -0.00 0.78 0.86 0.00 0.00 177.93 179.75 1h3b h GLY 227 N 1.62 -0.00 1.56 2.45 0.00 -0.26 -3.14 103.07 105.30 1h3b h GLY 227 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1h3b h GLY 227 CO 0.02 -0.00 0.17 -1.82 0.00 0.00 0.00 176.54 174.91 1h3b h TYR 228 N -0.97 0.00 -0.23 5.60 3.20 -0.36 0.38 116.97 124.59 1h3b h TYR 228 Ca -0.00 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1h3b h TYR 228 Cb 0.88 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1h3b h TYR 228 CO 0.24 0.00 -0.33 0.37 -1.64 0.00 0.00 178.16 176.81 1h3b h GLN 229 N 0.00 0.47 0.00 1.82 5.75 -0.98 -3.05 115.11 119.12 1h3b h GLN 229 Ca 0.08 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1h3b h GLN 229 Cb 0.42 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1h3b h GLN 229 CO -0.00 0.75 -0.16 0.87 -2.65 0.00 0.00 178.83 177.64 1h3b h LYS 230 N 0.41 0.00 -6.57 1.69 1.79 -0.20 -3.46 116.57 110.24 1h3b h LYS 230 Ca 0.05 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.10 1h3b h LYS 230 Cb 0.77 0.00 0.22 0.00 -1.58 0.00 0.00 32.23 31.64 1h3b h LYS 230 CO 0.06 0.16 -1.02 1.28 -1.08 0.00 0.00 179.45 178.85 1h3b n LEU 231 N -4.29 -2.19 -0.01 2.94 4.77 -1.16 -4.95 117.00 112.11 1h3b n LEU 231 Ca -0.02 -0.19 0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1h3b n LEU 231 Cb 0.23 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 1h3b n LEU 231 CO 0.36 -3.11 -0.04 -0.24 -1.33 0.00 0.00 177.39 173.03 1h3b n SER 232 N -1.57 0.92 -3.62 -1.43 2.88 -1.26 -4.90 113.62 104.64 1h3b n SER 232 Ca 0.01 -0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 56.49 1h3b n SER 232 Cb 0.59 0.98 -0.11 0.00 -0.75 0.00 0.00 64.21 64.93 1h3b n SER 232 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1h3b s VAL 233 N -2.77 -0.55 -0.48 2.46 -7.23 -1.26 -5.10 120.40 105.47 1h3b s VAL 233 Ca 0.07 0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1h3b s VAL 233 Cb 0.14 -0.60 0.13 0.00 0.56 0.00 0.00 36.38 36.61 1h3b s VAL 233 CO 0.77 0.06 0.27 -1.00 -0.31 0.00 0.00 175.10 174.88 1h3b s HIS 234 N 2.53 3.52 0.34 2.82 0.09 -1.26 -5.08 115.29 118.25 1h3b s HIS 234 Ca 0.01 -2.62 -0.28 0.00 -0.00 0.00 0.00 55.06 52.17 1h3b s HIS 234 Cb -0.13 -3.16 -0.12 0.00 -0.00 0.00 0.00 32.58 29.17 1h3b s HIS 234 CO -0.12 -0.91 1.27 -0.35 -0.00 0.00 0.00 174.74 174.63 1h3b n PRO 235 N 4.11 2.07 -1.27 8.40 -0.04 -1.26 -2.23 135.00 144.78 1h3b n PRO 235 Ca 0.02 0.73 -0.09 0.00 -0.04 0.00 0.00 63.50 64.11 1h3b n PRO 235 Cb 0.40 -2.30 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 1h3b n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h3b n PHE 236 N 0.31 0.00 0.13 0.54 3.72 -1.26 -4.86 117.46 116.05 1h3b n PHE 236 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 1h3b n PHE 236 Cb 0.36 -2.53 -0.15 0.00 -0.94 0.00 0.00 39.48 36.22 1h3b n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1h3b h ARG 237 N 0.04 0.50 -0.80 -1.08 2.43 -1.88 -2.01 114.38 111.57 1h3b h ARG 237 Ca -0.19 -0.83 0.06 0.00 -0.81 0.00 0.00 59.98 58.21 1h3b h ARG 237 Cb 1.09 0.30 -0.05 0.00 -0.42 0.00 0.00 29.97 30.89 1h3b h ARG 237 CO 0.28 1.39 0.53 -0.09 -1.51 0.00 0.00 179.97 180.57 1h3b h ARG 238 N 0.15 0.86 -0.08 0.20 2.43 -1.89 -0.23 114.38 115.82 1h3b h ARG 238 Ca -0.23 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1h3b h ARG 238 Cb 2.11 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 31.46 1h3b h ARG 238 CO 0.26 0.57 0.03 0.00 -1.51 0.00 0.00 179.97 179.32 1h3b h ALA 239 N 1.56 0.10 -0.67 2.80 0.00 -1.94 -1.65 119.26 119.46 1h3b h ALA 239 Ca 0.34 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1h3b h ALA 239 Cb 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1h3b h ALA 239 CO -0.12 -0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.16 1h3b h ALA 240 N 0.88 0.91 0.80 0.00 0.00 -0.41 -0.14 119.26 121.29 1h3b h ALA 240 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1h3b h ALA 240 Cb 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1h3b h ALA 240 CO -0.00 -0.02 -0.39 0.93 0.00 0.00 0.00 179.25 179.77 1h3b h GLU 241 N 0.61 -1.04 -0.84 0.00 5.08 -0.92 -2.12 114.58 115.35 1h3b h GLU 241 Ca 0.32 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.93 1h3b h GLU 241 Cb 0.28 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1h3b h GLU 241 CO -0.23 -0.69 0.56 0.82 -1.00 0.00 0.00 179.01 178.47 1h3b h ILE 242 N -1.09 0.74 -0.10 3.13 2.04 -1.05 0.55 117.51 121.72 1h3b h ILE 242 Ca -0.11 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1h3b h ILE 242 Cb 0.83 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1h3b h ILE 242 CO 0.18 0.08 -0.27 0.03 0.00 0.00 0.00 178.15 178.17 1h3b h ARG 243 N 0.42 0.19 0.15 2.37 3.08 -0.62 -0.04 114.38 119.93 1h3b h ARG 243 Ca 0.43 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 60.11 1h3b h ARG 243 Cb 1.01 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.05 1h3b h ARG 243 CO -0.15 0.45 -1.43 0.00 -1.07 0.00 0.00 179.97 177.77 1h3b h ALA 244 N 1.56 0.13 -0.45 0.04 0.00 0.37 -2.21 119.26 118.71 1h3b h ALA 244 Ca 0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 53.92 1h3b h ALA 244 Cb 0.57 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1h3b h ALA 244 CO 0.04 1.00 0.17 1.25 0.00 0.00 0.00 179.25 181.71 1h3b h LEU 245 N 0.08 0.62 -0.50 0.00 5.85 0.10 -1.70 115.31 119.78 1h3b h LEU 245 Ca -0.21 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.21 1h3b h LEU 245 Cb 2.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1h3b h LEU 245 CO 0.20 0.63 -0.19 0.44 -0.34 0.00 0.00 178.44 179.18 1h3b h ASP 246 N 0.58 1.03 -0.99 1.25 3.32 -1.09 -1.37 116.42 119.15 1h3b h ASP 246 Ca 0.15 -0.39 0.09 0.00 0.02 0.00 0.00 57.03 56.90 1h3b h ASP 246 Cb 0.21 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 1h3b h ASP 246 CO -0.01 1.18 0.63 -0.25 -1.72 0.00 0.00 179.24 179.07 1h3b h TRP 247 N 0.87 1.16 0.31 4.55 7.01 -1.12 -1.62 115.95 127.11 1h3b h TRP 247 Ca 0.12 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1h3b h TRP 247 Cb 0.77 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 1h3b h TRP 247 CO 0.05 0.54 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.02 1h3b h LEU 248 N 1.08 -0.35 -0.71 0.65 3.38 -0.95 -3.06 115.31 115.34 1h3b h LEU 248 Ca 0.46 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.37 1h3b h LEU 248 Cb 0.30 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 1h3b h LEU 248 CO -0.21 0.06 0.24 -0.07 0.09 0.00 0.00 178.44 178.55 1h3b h LEU 249 N -0.85 0.17 -1.17 1.67 3.38 -1.03 -0.07 115.31 117.41 1h3b h LEU 249 Ca -0.04 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1h3b h LEU 249 Cb 0.52 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1h3b h LEU 249 CO 0.07 0.06 0.58 -0.33 0.09 0.00 0.00 178.44 178.92 1h3b h GLU 250 N 0.37 0.93 0.00 1.13 5.08 -1.35 -3.18 114.58 117.55 1h3b h GLU 250 Ca 0.39 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1h3b h GLU 250 Cb 0.59 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1h3b h GLU 250 CO -0.41 0.61 -0.77 0.54 -1.00 0.00 0.00 179.01 177.98 1h3b n ARG 251 N -4.52 0.03 -1.53 2.33 1.74 -0.11 -4.99 116.66 109.61 1h3b n ARG 251 Ca 0.15 -0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.70 1h3b n ARG 251 Cb 0.26 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1h3b n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1h3b n GLN 252 N -1.54 0.61 -1.32 5.56 7.27 -0.80 -4.74 117.38 122.42 1h3b n GLN 252 Ca 0.05 0.22 -0.29 0.00 0.07 0.00 0.00 57.00 57.04 1h3b n GLN 252 Cb 0.34 -1.68 0.15 0.00 2.41 0.00 0.00 30.24 31.46 1h3b n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1h3b s ALA 253 N -0.11 1.47 0.32 1.69 0.00 -0.23 -4.93 121.76 119.98 1h3b s ALA 253 Ca 0.80 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1h3b s ALA 253 Cb -1.02 -3.11 0.54 0.00 0.00 0.00 0.00 23.12 19.53 1h3b s ALA 253 CO 0.53 -2.44 1.95 0.78 0.00 0.00 0.00 175.76 176.59 1h3b h GLY 254 N -1.61 0.93 -0.15 0.00 0.00 -1.87 -2.13 103.07 98.24 1h3b h GLY 254 Ca -0.51 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1h3b h GLY 254 CO 0.58 0.38 0.00 2.09 0.00 0.00 0.00 176.54 179.59 1h3b n ASP 255 N -4.39 0.18 0.00 0.19 5.68 -1.25 -4.83 116.55 112.13 1h3b n ASP 255 Ca 0.06 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1h3b n ASP 255 Cb 0.09 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1h3b n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3b n GLY 256 N 0.49 1.24 0.00 6.12 0.00 -0.80 -4.20 105.19 108.04 1h3b n GLY 256 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h3b n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h3b n SER 257 N 0.00 0.00 -3.43 1.61 3.41 -1.26 -4.02 113.62 109.93 1h3b n SER 257 Ca 0.00 -0.18 -0.17 0.00 -0.26 0.00 0.00 58.87 58.25 1h3b n SER 257 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1h3b n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1h3b s TRP 258 N 0.40 -0.40 0.00 7.33 0.51 -1.26 -1.07 118.94 124.46 1h3b s TRP 258 Ca 0.00 -0.02 0.00 0.00 -2.12 0.00 0.00 56.10 53.96 1h3b s TRP 258 Cb 0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 33.47 32.24 1h3b s TRP 258 CO 0.00 -0.81 0.00 0.41 -0.51 0.00 0.00 176.95 176.04 1h3b n GLY 259 N 5.31 1.77 2.40 0.98 0.00 -1.26 -3.54 105.19 110.85 1h3b n GLY 259 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1h3b n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 260 N -2.00 1.37 3.31 -0.02 0.00 -1.26 -4.99 105.19 101.59 1h3b n GLY 260 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1h3b n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h3b s ILE 261 N -2.53 1.80 0.10 -0.61 -4.36 -1.23 -4.38 121.20 109.99 1h3b s ILE 261 Ca 0.00 -1.63 -0.31 0.00 -0.26 0.00 0.00 60.65 58.45 1h3b s ILE 261 Cb 0.00 -1.66 -0.12 0.00 1.25 0.00 0.00 42.46 41.94 1h3b s ILE 261 CO 0.00 -0.08 1.59 -0.61 0.24 0.00 0.00 174.94 176.08 1h3b h GLN 262 N 3.92 -0.69 0.00 0.37 -0.00 -1.66 -3.21 115.11 113.84 1h3b h GLN 262 Ca -0.46 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1h3b h GLN 262 Cb 1.18 0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.82 1h3b h GLN 262 CO 0.41 -0.46 0.00 -2.30 0.00 0.00 0.00 178.83 176.48 1h3b n PRO 263 N -5.48 0.00 -0.32 -2.39 -0.02 -1.26 -1.11 135.00 124.42 1h3b n PRO 263 Ca -0.09 0.69 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1h3b n PRO 263 Cb 0.38 -1.32 0.29 0.00 -0.02 0.00 0.00 33.50 32.84 1h3b n PRO 263 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h3b h PRO 264 N 0.00 0.85 0.18 0.52 0.13 -1.84 -0.94 132.00 130.91 1h3b h PRO 264 Ca 0.00 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1h3b h PRO 264 Cb 0.00 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 30.90 1h3b h PRO 264 CO 0.00 0.56 -0.38 2.35 -0.23 0.00 0.00 178.00 180.31 1h3b h TRP 265 N 0.88 -1.04 -0.75 1.56 2.91 -1.50 0.60 115.95 118.60 1h3b h TRP 265 Ca 0.48 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.53 1h3b h TRP 265 Cb 0.58 0.43 -0.04 0.00 -0.51 0.00 0.00 29.16 29.62 1h3b h TRP 265 CO -0.00 -0.49 0.49 0.74 -1.03 0.00 0.00 178.44 178.15 1h3b h PHE 266 N -0.65 0.93 -0.26 2.65 -1.00 -0.45 -1.88 116.94 116.27 1h3b h PHE 266 Ca 0.01 0.02 -0.18 0.00 2.81 0.00 0.00 57.97 60.63 1h3b h PHE 266 Cb 0.65 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1h3b h PHE 266 CO -0.30 0.57 -0.55 1.88 -1.61 0.00 0.00 178.31 178.30 1h3b h TYR 267 N 0.99 1.05 -0.66 -0.55 0.05 -0.84 -2.37 116.97 114.64 1h3b h TYR 267 Ca 0.28 -0.39 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1h3b h TYR 267 Cb -0.08 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 1h3b h TYR 267 CO -0.02 1.21 0.44 0.00 -1.05 0.00 0.00 178.16 178.73 1h3b h ALA 268 N 0.65 1.53 -0.42 3.88 0.00 0.39 0.33 119.26 125.63 1h3b h ALA 268 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1h3b h ALA 268 Cb 1.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1h3b h ALA 268 CO 0.12 0.43 -0.04 -0.07 0.00 0.00 0.00 179.25 179.70 1h3b h LEU 269 N 0.89 0.76 -0.50 0.00 3.38 -1.22 -0.29 115.31 118.33 1h3b h LEU 269 Ca 0.24 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1h3b h LEU 269 Cb -0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1h3b h LEU 269 CO -0.05 0.91 0.05 0.40 0.09 0.00 0.00 178.44 179.84 1h3b h ILE 270 N 0.60 1.26 -0.41 1.22 2.04 -0.78 -0.79 117.51 120.64 1h3b h ILE 270 Ca 0.11 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.03 1h3b h ILE 270 Cb 0.54 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1h3b h ILE 270 CO 0.03 0.35 0.17 0.00 0.00 0.00 0.00 178.15 178.70 1h3b h ALA 271 N 0.96 0.49 -0.60 1.87 0.00 -0.17 0.96 119.26 122.76 1h3b h ALA 271 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1h3b h ALA 271 Cb 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1h3b h ALA 271 CO 0.02 -0.21 0.35 -0.07 0.00 0.00 0.00 179.25 179.34 1h3b h LEU 272 N 0.35 0.73 -0.72 0.00 3.38 -0.78 -1.81 115.31 116.47 1h3b h LEU 272 Ca 0.18 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1h3b h LEU 272 Cb 0.14 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1h3b h LEU 272 CO -0.16 0.59 0.44 0.50 0.09 0.00 0.00 178.44 179.90 1h3b h LYS 273 N 0.81 0.81 -0.80 1.13 1.63 -0.21 -2.14 116.57 117.81 1h3b h LYS 273 Ca 0.21 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 1h3b h LYS 273 Cb 0.00 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.39 1h3b h LYS 273 CO -0.04 0.54 0.48 0.82 -3.45 0.00 0.00 179.45 177.80 1h3b h ILE 274 N 0.84 1.01 -0.11 2.00 1.08 -0.08 -2.02 117.51 120.23 1h3b h ILE 274 Ca 0.30 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1h3b h ILE 274 Cb 0.08 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 1h3b h ILE 274 CO -0.14 0.16 0.00 0.18 -0.69 0.00 0.00 178.15 177.66 1h3b n LEU 275 N -4.68 1.61 -3.69 1.44 4.77 -0.75 -4.89 117.00 110.81 1h3b n LEU 275 Ca 0.11 -0.81 -0.22 0.00 -0.03 0.00 0.00 56.01 55.06 1h3b n LEU 275 Cb 0.18 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1h3b n LEU 275 CO 0.30 0.29 -0.01 0.47 -1.33 0.00 0.00 177.39 177.11 1h3b n ASP 276 N 0.07 -1.98 -1.13 -1.43 9.92 -0.76 -4.91 116.55 116.33 1h3b n ASP 276 Ca 0.05 -0.78 -0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1h3b n ASP 276 Cb 0.36 -4.21 0.14 0.00 -0.64 0.00 0.00 41.12 36.77 1h3b n ASP 276 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1h3b n MET 277 N -4.34 1.73 0.00 -1.24 2.81 -0.93 -4.75 117.12 110.40 1h3b n MET 277 Ca -0.24 -3.27 0.10 0.00 -1.81 0.00 0.00 57.70 52.47 1h3b n MET 277 Cb 0.65 -1.49 0.46 0.00 -0.71 0.00 0.00 33.22 32.14 1h3b n MET 277 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h3b n THR 278 N -0.76 0.52 1.06 2.03 -2.24 -1.26 -1.98 114.28 111.65 1h3b n THR 278 Ca 0.21 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.24 1h3b n THR 278 Cb 0.82 -0.79 0.10 0.00 -2.10 0.00 0.00 70.33 68.36 1h3b n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h3b n GLN 279 N -1.40 1.39 -2.95 -0.78 1.13 -1.26 -4.58 117.38 108.94 1h3b n GLN 279 Ca 0.07 -1.10 -0.33 0.00 -1.94 0.00 0.00 57.00 53.70 1h3b n GLN 279 Cb 0.20 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 29.00 1h3b n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1h3b s HIS 280 N -2.37 3.35 0.12 1.08 2.46 -0.84 -4.95 115.29 114.14 1h3b s HIS 280 Ca 0.22 1.46 -0.24 0.00 0.47 0.00 0.00 55.06 56.97 1h3b s HIS 280 Cb 0.19 -2.73 -0.04 0.00 -0.13 0.00 0.00 32.58 29.87 1h3b s HIS 280 CO 0.50 -0.02 1.66 -1.35 -2.47 0.00 0.00 174.74 173.06 1h3b h PRO 281 N 2.09 -0.28 -1.05 2.88 0.11 -1.93 -2.13 132.00 131.70 1h3b h PRO 281 Ca -0.48 0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.92 1h3b h PRO 281 Cb 1.18 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1h3b h PRO 281 CO 0.63 -0.19 0.68 0.00 -0.21 0.00 0.00 178.00 178.92 1h3b h ALA 282 N 0.65 2.33 0.01 -0.75 0.00 -1.94 0.27 119.26 119.82 1h3b h ALA 282 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h3b h ALA 282 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h3b h ALA 282 CO -0.21 -0.72 -0.00 0.35 0.00 0.00 0.00 179.25 178.67 1h3b h PHE 283 N 0.35 -0.01 0.20 0.00 3.04 -1.71 -1.27 116.94 117.54 1h3b h PHE 283 Ca 0.58 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.55 1h3b h PHE 283 Cb 1.57 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.04 1h3b h PHE 283 CO -0.00 0.81 -0.41 0.82 -2.02 0.00 0.00 178.31 177.50 1h3b h ILE 284 N -0.85 0.17 0.00 1.41 1.08 -0.65 0.58 117.51 119.24 1h3b h ILE 284 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1h3b h ILE 284 Cb 0.82 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1h3b h ILE 284 CO 0.00 0.00 -0.11 0.50 -0.69 0.00 0.00 178.15 177.86 1h3b h LYS 285 N -0.70 0.00 -0.37 2.37 1.63 -0.62 -1.18 116.57 117.70 1h3b h LYS 285 Ca 0.01 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.65 1h3b h LYS 285 Cb 0.70 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1h3b h LYS 285 CO -0.19 0.11 -0.38 0.78 -3.45 0.00 0.00 179.45 176.31 1h3b h GLY 286 N 0.38 0.99 0.95 5.01 0.00 0.23 -1.80 103.07 108.83 1h3b h GLY 286 Ca -0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 47.33 46.17 1h3b h GLY 286 CO 0.01 0.92 -0.41 -0.25 0.00 0.00 0.00 176.54 176.82 1h3b h TRP 287 N 0.72 0.80 -0.50 5.60 2.91 0.65 -3.26 115.95 122.87 1h3b h TRP 287 Ca 0.06 -0.29 -0.03 0.00 1.13 0.00 0.00 58.89 59.76 1h3b h TRP 287 Cb 0.98 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 1h3b h TRP 287 CO 0.07 1.06 0.21 0.93 -1.03 0.00 0.00 178.44 179.67 1h3b h GLU 288 N 0.32 0.75 -1.13 2.65 5.08 -1.24 -3.00 114.58 118.01 1h3b h GLU 288 Ca 0.01 -0.13 0.31 0.00 -1.00 0.00 0.00 59.36 58.55 1h3b h GLU 288 Cb 1.01 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 1h3b h GLU 288 CO 0.09 0.66 0.75 0.78 -1.00 0.00 0.00 179.01 180.29 1h3b h GLY 289 N 0.67 0.95 -0.49 -3.84 0.00 -1.36 -2.75 103.07 96.26 1h3b h GLY 289 Ca 0.17 -0.14 0.22 0.00 0.00 0.00 0.00 47.33 47.57 1h3b h GLY 289 CO -0.02 -0.15 0.12 1.41 0.00 0.00 0.00 176.54 177.91 1h3b h LEU 290 N 0.25 -0.19 -1.05 3.11 3.38 -1.63 -2.31 115.31 116.88 1h3b h LEU 290 Ca 0.63 0.21 0.23 0.00 0.09 0.00 0.00 57.88 59.04 1h3b h LEU 290 Cb 1.87 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 42.83 1h3b h LEU 290 CO -0.25 -0.19 0.61 -0.33 0.09 0.00 0.00 178.44 178.37 1h3b h GLU 291 N 0.14 0.60 -0.02 1.13 4.39 -1.71 0.60 114.58 119.71 1h3b h GLU 291 Ca 0.51 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.18 1h3b h GLU 291 Cb 0.99 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1h3b h GLU 291 CO -0.70 0.40 0.02 1.25 -1.16 0.00 0.00 179.01 178.83 1h3b h LEU 292 N 0.62 0.00 0.00 1.33 5.85 -1.64 -1.33 115.31 120.14 1h3b h LEU 292 Ca 0.62 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.34 1h3b h LEU 292 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1h3b h LEU 292 CO -0.43 0.00 -0.72 1.88 -0.34 0.00 0.00 178.44 178.84 1h3b h TYR 293 N 0.00 0.00 -4.15 1.25 -1.99 -1.03 -3.47 116.97 107.58 1h3b h TYR 293 Ca 0.01 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.25 1h3b h TYR 293 Cb 0.06 0.00 0.14 0.00 2.00 0.00 0.00 36.73 38.93 1h3b h TYR 293 CO 0.00 0.00 0.27 0.20 -0.00 0.00 0.00 178.16 178.63 1h3b s GLY 294 N -3.96 1.63 -0.14 3.88 0.00 -0.50 -1.70 107.32 106.54 1h3b s GLY 294 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.67 1h3b s GLY 294 CO 0.74 0.43 0.32 0.14 0.00 0.00 0.00 173.10 174.73 1h3b s VAL 295 N -2.96 -0.08 -0.21 1.40 1.01 0.32 -4.89 120.40 114.99 1h3b s VAL 295 Ca 0.63 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1h3b s VAL 295 Cb -0.17 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1h3b s VAL 295 CO 0.56 0.06 0.82 -1.61 0.00 0.00 0.00 175.10 174.93 1h3b s GLU 296 N 1.44 4.24 -0.03 2.72 0.41 -1.26 -1.43 118.70 124.78 1h3b s GLU 296 Ca -0.08 0.97 -0.16 0.00 -0.41 0.00 0.00 54.97 55.28 1h3b s GLU 296 Cb -0.10 -3.61 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 1h3b s GLU 296 CO -0.10 -0.42 0.44 -0.51 -0.49 0.00 0.00 175.26 174.18 1h3b s LEU 297 N 2.48 4.41 0.28 1.80 1.43 0.46 -4.98 118.68 124.56 1h3b s LEU 297 Ca 0.36 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1h3b s LEU 297 Cb -0.16 -2.64 0.63 0.00 0.03 0.00 0.00 46.19 44.06 1h3b s LEU 297 CO 0.10 0.22 1.72 -2.24 0.23 0.00 0.00 176.35 176.37 1h3b h ASP 298 N 5.37 0.35 0.00 2.29 3.04 -1.96 0.56 116.42 126.07 1h3b h ASP 298 Ca -0.48 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1h3b h ASP 298 Cb 1.20 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1h3b h ASP 298 CO 0.66 0.06 0.00 0.00 -2.04 0.00 0.00 179.24 177.93 1h3b n TYR 299 N -5.00 0.00 -0.46 4.15 0.18 -1.26 -4.73 117.16 110.03 1h3b n TYR 299 Ca 0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.97 1h3b n TYR 299 Cb 0.56 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 1h3b n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h3b n GLY 300 N 0.01 0.74 3.92 -7.48 0.00 0.16 -5.04 105.19 97.50 1h3b n GLY 300 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 1h3b n GLY 300 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 301 N -2.27 2.07 -0.03 -0.02 0.00 -1.03 -4.42 107.32 101.62 1h3b s GLY 301 Ca 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.91 1h3b s GLY 301 CO 0.00 -1.63 -0.02 0.86 0.00 0.00 0.00 173.10 172.31 1h3b s TRP 302 N -2.43 0.47 0.18 1.90 -0.00 -0.83 0.17 118.94 118.40 1h3b s TRP 302 Ca 0.50 -0.08 0.08 0.00 -0.00 0.00 0.00 56.10 56.60 1h3b s TRP 302 Cb -0.05 -0.47 -0.04 0.00 -0.00 0.00 0.00 33.47 32.90 1h3b s TRP 302 CO 0.29 -0.13 -0.17 0.00 -0.00 0.00 0.00 176.95 176.94 1h3b s MET 303 N 0.85 1.29 -0.14 5.86 0.23 -0.51 -4.54 119.30 122.34 1h3b s MET 303 Ca -0.10 -1.47 -0.01 0.00 -1.03 0.00 0.00 55.69 53.08 1h3b s MET 303 Cb -0.13 -1.24 -0.02 0.00 -1.53 0.00 0.00 34.83 31.92 1h3b s MET 303 CO -0.01 0.23 -0.10 0.12 -2.03 0.00 0.00 175.02 173.24 1h3b s PHE 304 N -2.41 2.89 0.10 3.16 2.19 -1.26 -0.52 117.98 122.13 1h3b s PHE 304 Ca 0.18 -0.51 -0.30 0.00 0.33 0.00 0.00 56.93 56.63 1h3b s PHE 304 Cb -0.04 -1.89 -0.06 0.00 -1.31 0.00 0.00 43.02 39.73 1h3b s PHE 304 CO 0.07 -0.14 1.02 -0.65 1.83 0.00 0.00 175.22 177.35 1h3b s GLN 305 N 0.34 4.62 0.55 10.12 -0.21 -0.69 -4.75 119.66 129.65 1h3b s GLN 305 Ca -0.08 1.54 0.23 0.00 0.02 0.00 0.00 55.36 57.07 1h3b s GLN 305 Cb -0.15 -3.37 1.56 0.00 1.00 0.00 0.00 33.01 32.05 1h3b s GLN 305 CO 0.05 0.08 2.20 0.00 -2.12 0.00 0.00 175.29 175.50 1h3b h ALA 306 N 5.82 1.73 -2.09 6.09 0.00 -1.91 -3.44 119.26 125.46 1h3b h ALA 306 Ca -0.43 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.73 1h3b h ALA 306 Cb 1.21 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1h3b h ALA 306 CO 0.74 0.01 0.72 0.45 0.00 0.00 0.00 179.25 181.17 1h3b s SER 307 N -6.57 -0.04 0.08 0.00 0.15 -1.26 -1.88 113.70 104.17 1h3b s SER 307 Ca -0.05 -0.36 0.08 0.00 0.70 0.00 0.00 55.95 56.33 1h3b s SER 307 Cb 0.16 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1h3b s SER 307 CO 0.60 -0.60 -0.22 0.27 1.20 0.00 0.00 173.24 174.49 1h3b s ILE 308 N -2.38 1.78 -0.22 6.45 -4.36 -1.26 -4.49 121.20 116.72 1h3b s ILE 308 Ca 0.20 -1.43 0.11 0.00 -0.26 0.00 0.00 60.65 59.27 1h3b s ILE 308 Cb 0.00 -1.58 0.43 0.00 1.25 0.00 0.00 42.46 42.56 1h3b s ILE 308 CO 0.01 0.09 1.21 -1.54 0.24 0.00 0.00 174.94 174.94 1h3b n SER 309 N 1.40 2.53 -0.12 4.36 3.41 -1.26 -3.80 113.62 120.15 1h3b n SER 309 Ca -0.18 -3.76 -0.08 0.00 -0.26 0.00 0.00 58.87 54.59 1h3b n SER 309 Cb 0.53 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1h3b n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h3b h PRO 310 N 1.34 -0.25 0.45 4.33 0.13 -1.77 0.11 132.00 136.33 1h3b h PRO 310 Ca 0.09 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1h3b h PRO 310 Cb 1.18 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1h3b h PRO 310 CO 0.21 -0.17 -0.37 0.28 -0.23 0.00 0.00 178.00 177.72 1h3b h VAL 311 N -0.26 0.25 -0.51 1.56 2.07 -1.74 0.13 116.25 117.75 1h3b h VAL 311 Ca 0.17 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.79 1h3b h VAL 311 Cb 0.55 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 1h3b h VAL 311 CO -0.55 0.00 -0.14 -0.25 0.02 0.00 0.00 177.57 176.65 1h3b h TRP 312 N -0.82 -0.31 0.16 1.57 2.91 -1.59 0.76 115.95 118.63 1h3b h TRP 312 Ca -0.04 0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 1h3b h TRP 312 Cb 0.71 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1h3b h TRP 312 CO -0.17 -0.23 -0.10 -0.44 -1.03 0.00 0.00 178.44 176.47 1h3b h ASP 313 N -0.02 -0.25 -0.22 2.65 3.32 -0.57 -2.11 116.42 119.23 1h3b h ASP 313 Ca 0.24 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1h3b h ASP 313 Cb 0.39 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 1h3b h ASP 313 CO -0.53 -0.17 -0.20 0.74 -1.72 0.00 0.00 179.24 177.37 1h3b h THR 314 N -0.26 0.48 -0.19 0.35 2.02 0.14 0.12 112.91 115.58 1h3b h THR 314 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1h3b h THR 314 Cb 0.22 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1h3b h THR 314 CO 0.01 0.00 -0.16 1.23 0.37 0.00 0.00 175.52 176.97 1h3b h GLY 315 N -0.20 -0.03 0.98 2.16 0.00 -0.73 -1.20 103.07 104.05 1h3b h GLY 315 Ca 0.13 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1h3b h GLY 315 CO -0.34 -0.16 0.05 1.41 0.00 0.00 0.00 176.54 177.51 1h3b h LEU 316 N -0.17 0.79 -0.61 3.11 3.38 -1.04 -2.36 115.31 118.41 1h3b h LEU 316 Ca 0.12 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1h3b h LEU 316 Cb 0.34 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1h3b h LEU 316 CO -0.29 0.87 0.20 0.00 0.09 0.00 0.00 178.44 179.30 1h3b h ALA 317 N 0.95 0.78 0.14 1.53 0.00 -0.32 0.13 119.26 122.46 1h3b h ALA 317 Ca 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1h3b h ALA 317 Cb 0.43 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1h3b h ALA 317 CO 0.01 -0.24 -0.07 0.28 0.00 0.00 0.00 179.25 179.24 1h3b h VAL 318 N 0.35 0.89 -0.47 0.00 2.07 -1.06 0.07 116.25 118.10 1h3b h VAL 318 Ca 0.32 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.78 1h3b h VAL 318 Cb 0.43 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1h3b h VAL 318 CO -0.35 0.03 0.32 -0.07 0.02 0.00 0.00 177.57 177.51 1h3b h LEU 319 N -0.23 0.38 0.45 2.57 3.38 -0.83 -0.47 115.31 120.57 1h3b h LEU 319 Ca -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 319 Cb 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1h3b h LEU 319 CO 0.03 0.26 -0.22 0.00 0.09 0.00 0.00 178.44 178.60 1h3b h ALA 320 N 1.74 -0.71 -0.86 1.53 0.00 -0.30 -1.88 119.26 118.78 1h3b h ALA 320 Ca 0.20 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1h3b h ALA 320 Cb 0.24 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1h3b h ALA 320 CO -0.05 -0.66 0.58 -0.07 0.00 0.00 0.00 179.25 179.05 1h3b h LEU 321 N -0.98 0.28 0.18 0.00 3.38 -0.80 -0.10 115.31 117.27 1h3b h LEU 321 Ca -0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 321 Cb 0.47 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1h3b h LEU 321 CO 0.10 0.11 -0.09 0.03 0.09 0.00 0.00 178.44 178.69 1h3b h ARG 322 N 0.28 -0.24 0.00 1.13 2.47 -1.09 -2.43 114.38 114.50 1h3b h ARG 322 Ca 0.44 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1h3b h ARG 322 Cb 1.26 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1h3b h ARG 322 CO -0.12 0.13 0.00 0.00 0.56 0.00 0.00 179.97 180.54 1h3b n ALA 323 N -2.62 1.04 0.60 0.04 0.00 -0.71 -0.33 120.51 118.53 1h3b n ALA 323 Ca -0.07 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1h3b n ALA 323 Cb 0.24 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.55 1h3b n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3b n ALA 324 N -1.66 3.40 0.00 0.00 0.00 -0.08 -4.09 120.51 118.07 1h3b n ALA 324 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1h3b n ALA 324 Cb 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1h3b n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3b n GLY 325 N 1.38 2.65 2.09 0.00 0.00 0.55 -4.90 105.19 106.96 1h3b n GLY 325 Ca 0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1h3b n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3b n LEU 326 N 0.00 -0.12 -4.69 0.99 4.77 -1.09 -4.82 117.00 112.04 1h3b n LEU 326 Ca 0.00 0.69 -0.39 0.00 -0.03 0.00 0.00 56.01 56.29 1h3b n LEU 326 Cb 0.00 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1h3b n LEU 326 CO 0.00 -1.24 0.80 -0.81 -1.33 0.00 0.00 177.39 174.81 1h3b n PRO 327 N 0.86 1.38 0.17 3.23 -0.04 -1.26 -4.62 135.00 134.71 1h3b n PRO 327 Ca 0.12 0.51 0.18 0.00 -0.04 0.00 0.00 63.50 64.27 1h3b n PRO 327 Cb 0.06 -2.39 0.69 0.00 -0.04 0.00 0.00 33.50 31.83 1h3b n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h3b h ALA 328 N 1.10 1.91 -0.22 0.55 0.00 -1.88 0.15 119.26 120.88 1h3b h ALA 328 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1h3b h ALA 328 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1h3b h ALA 328 CO 0.55 -0.67 0.00 -0.40 0.00 0.00 0.00 179.25 178.73 1h3b n ASP 329 N -3.30 3.16 -4.69 0.00 5.68 -1.26 -1.10 116.55 115.04 1h3b n ASP 329 Ca 0.05 -2.60 -0.57 0.00 -0.50 0.00 0.00 54.79 51.17 1h3b n ASP 329 Cb 0.64 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 40.18 1h3b n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1h3b n HIS 330 N -0.32 1.94 -0.32 2.11 -0.00 0.54 -4.72 115.22 114.44 1h3b n HIS 330 Ca 0.15 0.58 0.19 0.00 0.46 0.00 0.00 57.72 59.10 1h3b n HIS 330 Cb 0.64 -2.43 0.39 0.00 -0.12 0.00 0.00 29.99 28.47 1h3b n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1h3b h ASP 331 N 6.66 0.39 -0.77 0.26 2.03 -1.95 0.50 116.42 123.54 1h3b h ASP 331 Ca -0.47 0.18 -0.01 0.00 -0.73 0.00 0.00 57.03 56.00 1h3b h ASP 331 Cb 1.32 0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 39.94 1h3b h ASP 331 CO 0.93 -0.09 0.43 -0.09 -1.03 0.00 0.00 179.24 179.39 1h3b h ARG 332 N 0.35 1.08 0.00 4.15 9.65 -1.98 -0.77 114.38 126.85 1h3b h ARG 332 Ca 0.65 -0.12 -0.20 0.00 -1.10 0.00 0.00 59.98 59.22 1h3b h ARG 332 Cb 1.38 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 1h3b h ARG 332 CO -0.59 0.78 -0.88 -0.07 2.80 0.00 0.00 179.97 182.01 1h3b h LEU 333 N 1.09 0.28 -1.11 3.80 3.38 -1.30 -3.05 115.31 118.40 1h3b h LEU 333 Ca 0.28 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1h3b h LEU 333 Cb 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1h3b h LEU 333 CO -0.05 1.03 -0.27 0.58 0.09 0.00 0.00 178.44 179.82 1h3b h VAL 334 N 0.12 1.25 -0.78 1.22 2.07 -0.69 0.35 116.25 119.79 1h3b h VAL 334 Ca -0.05 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1h3b h VAL 334 Cb 1.51 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1h3b h VAL 334 CO 0.14 0.37 0.47 0.50 0.02 0.00 0.00 177.57 179.06 1h3b h LYS 335 N 0.26 1.06 -0.04 1.57 1.63 -1.05 0.15 116.57 120.14 1h3b h LYS 335 Ca 0.04 -0.09 -0.17 0.00 -0.85 0.00 0.00 60.65 59.58 1h3b h LYS 335 Cb 0.62 -0.22 0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1h3b h LYS 335 CO 0.04 0.74 -0.62 0.00 -3.45 0.00 0.00 179.45 176.16 1h3b h ALA 336 N 1.44 0.13 -0.86 5.00 0.00 -1.26 -2.71 119.26 121.01 1h3b h ALA 336 Ca 0.28 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1h3b h ALA 336 Cb -0.04 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1h3b h ALA 336 CO -0.05 0.41 0.53 0.78 0.00 0.00 0.00 179.25 180.92 1h3b h GLY 337 N 0.06 1.30 0.94 0.00 0.00 0.24 0.13 103.07 105.74 1h3b h GLY 337 Ca -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1h3b h GLY 337 CO 0.13 0.25 0.14 0.83 0.00 0.00 0.00 176.54 177.88 1h3b h GLU 338 N 0.95 0.38 -0.48 4.80 4.39 -0.76 -2.59 114.58 121.28 1h3b h GLU 338 Ca 0.38 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.06 1h3b h GLU 338 Cb 0.20 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1h3b h GLU 338 CO -0.18 0.35 0.27 2.35 -1.16 0.00 0.00 179.01 180.64 1h3b h TRP 339 N 0.31 0.50 0.00 4.33 7.01 -0.99 -2.35 115.95 124.76 1h3b h TRP 339 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1h3b h TRP 339 Cb 0.09 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1h3b h TRP 339 CO -0.03 0.27 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.75 1h3b h LEU 340 N 0.53 0.00 -0.07 0.65 3.38 -0.55 -2.61 115.31 116.65 1h3b h LEU 340 Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 340 Cb 0.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1h3b h LEU 340 CO -0.11 0.07 -0.96 -0.07 0.09 0.00 0.00 178.44 177.46 1h3b h LEU 341 N 0.00 0.89 0.00 1.67 3.38 -1.04 -2.99 115.31 117.22 1h3b h LEU 341 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1h3b h LEU 341 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1h3b h LEU 341 CO 0.01 1.47 0.00 0.47 0.09 0.00 0.00 178.44 180.48 1h3b n ASP 342 N -3.87 0.00 0.02 -0.43 8.00 -0.99 -2.47 116.55 116.81 1h3b n ASP 342 Ca -0.10 0.38 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 1h3b n ASP 342 Cb 0.84 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 41.42 1h3b n ASP 342 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h3b n ARG 343 N -1.43 0.63 -1.59 -1.24 5.12 -1.13 -4.95 116.66 112.06 1h3b n ARG 343 Ca 0.03 0.21 -0.45 0.00 -1.93 0.00 0.00 57.85 55.71 1h3b n ARG 343 Cb 0.11 -1.78 -0.02 0.00 -1.16 0.00 0.00 32.46 29.61 1h3b n ARG 343 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1h3b n GLN 344 N -2.87 1.36 -3.52 5.56 7.27 -1.03 -4.77 117.38 119.37 1h3b n GLN 344 Ca -0.11 0.48 -0.37 0.00 0.07 0.00 0.00 57.00 57.07 1h3b n GLN 344 Cb 0.87 -1.88 -0.07 0.00 2.41 0.00 0.00 30.24 31.56 1h3b n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1h3b s ILE 345 N -0.87 5.30 -0.81 1.69 1.01 -0.45 -4.99 121.20 122.09 1h3b s ILE 345 Ca 0.61 0.56 0.08 0.00 0.00 0.00 0.00 60.65 61.91 1h3b s ILE 345 Cb -0.72 -3.64 0.20 0.00 0.01 0.00 0.00 42.46 38.31 1h3b s ILE 345 CO 0.58 0.37 1.10 0.35 0.00 0.00 0.00 174.94 177.35 1h3b n THR 346 N 3.67 0.77 -4.22 2.92 -2.24 -1.26 -3.05 114.28 110.87 1h3b n THR 346 Ca -0.11 -0.89 -0.23 0.00 -2.27 0.00 0.00 64.05 60.55 1h3b n THR 346 Cb 0.52 0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 1h3b n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h3b s VAL 347 N -0.94 3.10 0.37 2.28 -7.23 -1.26 -4.73 120.40 112.00 1h3b s VAL 347 Ca 0.16 -1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 1h3b s VAL 347 Cb 0.09 -2.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 1h3b s VAL 347 CO 0.12 -0.26 1.20 -2.84 -0.31 0.00 0.00 175.10 173.01 1h3b s PRO 348 N -3.76 4.18 0.00 4.82 0.02 -1.26 -4.80 135.00 134.20 1h3b s PRO 348 Ca 0.35 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1h3b s PRO 348 Cb -0.03 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1h3b s PRO 348 CO 0.21 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 1h3b n GLY 349 N 0.75 5.83 0.25 0.52 0.00 -1.26 -4.82 105.19 106.45 1h3b n GLY 349 Ca 0.03 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.15 1h3b n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h3b h ASP 350 N 0.00 0.00 0.25 1.61 3.32 -1.91 -2.89 116.42 116.80 1h3b h ASP 350 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1h3b h ASP 350 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h3b h ASP 350 CO 0.00 0.08 -0.20 4.11 -1.72 0.00 0.00 179.24 181.51 1h3b h TRP 351 N 0.00 0.00 0.00 4.55 5.08 -1.84 -2.43 115.95 121.31 1h3b h TRP 351 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1h3b h TRP 351 Cb 0.69 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 1h3b h TRP 351 CO 0.00 0.20 0.08 0.00 -1.28 0.00 0.00 178.44 177.43 1h3b h ALA 352 N 1.80 1.06 0.00 0.11 0.00 -1.78 -0.43 119.26 120.02 1h3b h ALA 352 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h3b h ALA 352 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h3b h ALA 352 CO 0.03 -0.06 0.00 0.28 0.00 0.00 0.00 179.25 179.50 1h3b h VAL 353 N 0.00 0.00 0.00 0.00 2.07 -1.64 -1.54 116.25 115.13 1h3b h VAL 353 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1h3b h VAL 353 Cb 0.15 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1h3b h VAL 353 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1h3b n LYS 354 N -2.43 0.05 -2.80 1.57 4.76 -0.19 -4.75 118.16 114.38 1h3b n LYS 354 Ca 0.01 -0.71 -0.10 0.00 -2.87 0.00 0.00 58.31 54.64 1h3b n LYS 354 Cb 0.22 -0.96 0.07 0.00 -1.84 0.00 0.00 35.03 32.52 1h3b n LYS 354 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h3b n ARG 355 N -0.12 1.08 -0.02 1.97 5.12 -1.04 -4.99 116.66 118.66 1h3b n ARG 355 Ca 0.00 -2.37 0.22 0.00 -1.93 0.00 0.00 57.85 53.77 1h3b n ARG 355 Cb 0.09 -0.92 0.72 0.00 -1.16 0.00 0.00 32.46 31.19 1h3b n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h3b h PRO 356 N 2.72 0.00 -0.66 5.56 0.11 -1.58 0.02 132.00 138.17 1h3b h PRO 356 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1h3b h PRO 356 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1h3b h PRO 356 CO 0.20 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.08 1h3b n ASN 357 N -4.18 4.53 -4.68 -2.05 5.03 -1.26 -4.89 115.26 107.75 1h3b n ASN 357 Ca 0.11 -2.40 -0.37 0.00 0.87 0.00 0.00 54.58 52.79 1h3b n ASN 357 Cb 0.70 -0.56 -0.08 0.00 -1.02 0.00 0.00 39.78 38.82 1h3b n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h3b s LEU 358 N -1.72 4.16 0.06 3.41 2.96 -0.01 -5.06 118.68 122.47 1h3b s LEU 358 Ca 0.49 0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 1h3b s LEU 358 Cb 0.31 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1h3b s LEU 358 CO 0.24 -0.01 0.99 -0.75 -1.32 0.00 0.00 176.35 175.51 1h3b s LYS 359 N 1.10 4.61 0.26 1.98 2.20 -1.26 -5.00 119.74 123.62 1h3b s LYS 359 Ca 0.15 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.94 1h3b s LYS 359 Cb -0.14 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 1h3b s LYS 359 CO 0.06 0.04 1.47 -1.25 -0.36 0.00 0.00 175.35 175.31 1h3b s PRO 360 N 0.56 4.24 0.00 4.03 0.04 -1.26 -4.56 135.00 138.05 1h3b s PRO 360 Ca 0.50 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1h3b s PRO 360 Cb -0.23 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1h3b s PRO 360 CO 0.29 -0.46 0.37 0.41 0.04 0.00 0.00 177.00 177.65 1h3b n GLY 361 N 2.12 0.04 3.83 0.56 0.00 -1.17 -4.66 105.19 105.90 1h3b n GLY 361 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1h3b n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 362 N 0.00 1.92 3.33 -0.02 0.00 -1.25 -2.49 105.19 106.69 1h3b n GLY 362 Ca -0.09 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.52 1h3b n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3b s PHE 363 N -2.54 1.68 0.57 1.61 0.40 -1.26 -1.33 117.98 117.11 1h3b s PHE 363 Ca 0.60 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 56.44 1h3b s PHE 363 Cb -0.05 -0.80 0.08 0.00 0.51 0.00 0.00 43.02 42.77 1h3b s PHE 363 CO 0.38 0.33 0.66 0.00 0.70 0.00 0.00 175.22 177.29 1h3b n ALA 364 N -0.21 1.10 -0.05 5.36 0.00 -1.26 -1.55 120.51 123.90 1h3b n ALA 364 Ca -0.09 -2.15 -0.21 0.00 0.00 0.00 0.00 53.44 50.98 1h3b n ALA 364 Cb 0.60 0.70 -0.13 0.00 0.00 0.00 0.00 19.45 20.62 1h3b n ALA 364 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1h3b h PHE 365 N 0.31 0.21 -1.97 0.00 3.57 -1.90 -3.42 116.94 113.73 1h3b h PHE 365 Ca -0.30 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1h3b h PHE 365 Cb 1.26 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1h3b h PHE 365 CO 0.00 1.58 0.00 1.04 -2.23 0.00 0.00 178.31 178.70 1h3b n GLN 366 N -4.09 0.04 0.08 1.11 3.00 -1.25 -2.78 117.38 113.50 1h3b n GLN 366 Ca -0.30 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.64 1h3b n GLN 366 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 31.04 1h3b n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1h3b h PHE 367 N -0.96 -0.25 -3.42 1.08 0.04 -1.93 -3.40 116.94 108.09 1h3b h PHE 367 Ca 0.00 -0.01 -0.63 0.00 2.80 0.00 0.00 57.97 60.14 1h3b h PHE 367 Cb 0.00 0.08 -0.40 0.00 2.20 0.00 0.00 35.95 37.83 1h3b h PHE 367 CO 0.00 -0.16 -0.73 0.34 -0.60 0.00 0.00 178.31 177.16 1h3b s ASP 368 N -4.60 4.39 -0.45 2.17 -1.08 -1.26 -4.98 116.67 110.87 1h3b s ASP 368 Ca -0.04 -2.07 0.07 0.00 -0.52 0.00 0.00 52.55 49.98 1h3b s ASP 368 Cb 0.00 -1.32 0.23 0.00 -1.46 0.00 0.00 42.92 40.38 1h3b s ASP 368 CO 0.12 -0.37 0.68 -3.20 0.52 0.00 0.00 175.17 172.92 1h3b n ASN 369 N 4.32 -1.62 0.25 -0.34 5.15 -1.26 -3.18 115.26 118.58 1h3b n ASN 369 Ca 0.02 -2.95 0.10 0.00 -0.60 0.00 0.00 54.58 51.16 1h3b n ASN 369 Cb 0.41 0.70 0.66 0.00 -0.53 0.00 0.00 39.78 41.01 1h3b n ASN 369 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1h3b h VAL 370 N 3.03 0.78 -0.01 3.44 -1.51 -1.96 -3.04 116.25 116.99 1h3b h VAL 370 Ca -0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1h3b h VAL 370 Cb 0.97 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1h3b h VAL 370 CO 0.34 0.13 -0.00 -1.22 -1.23 0.00 0.00 177.57 175.59 1h3b n TYR 371 N -3.92 0.00 -3.16 5.19 4.01 -1.26 -4.37 117.16 113.65 1h3b n TYR 371 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1h3b n TYR 371 Cb 0.23 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1h3b n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1h3b n TYR 372 N -0.55 0.59 -2.41 -0.72 4.01 -1.15 -3.02 117.16 113.92 1h3b n TYR 372 Ca 0.22 -3.83 -0.35 0.00 -0.16 0.00 0.00 57.90 53.77 1h3b n TYR 372 Cb 0.21 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 1h3b n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h3b s PRO 373 N -2.54 3.73 0.13 -0.72 0.04 -1.26 -4.71 135.00 129.66 1h3b s PRO 373 Ca 0.41 1.54 0.10 0.00 0.04 0.00 0.00 61.00 63.09 1h3b s PRO 373 Cb 0.34 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1h3b s PRO 373 CO -0.09 -0.53 -0.22 0.16 0.04 0.00 0.00 177.00 176.37 1h3b s ASP 374 N -1.73 3.66 0.29 6.66 1.47 -0.59 -4.69 116.67 121.73 1h3b s ASP 374 Ca 0.67 -0.65 -0.01 0.00 1.18 0.00 0.00 52.55 53.73 1h3b s ASP 374 Cb -0.22 -0.41 0.42 0.00 -0.34 0.00 0.00 42.92 42.37 1h3b s ASP 374 CO 0.26 0.17 1.87 0.58 0.68 0.00 0.00 175.17 178.73 1h3b h VAL 375 N 3.63 1.22 0.45 2.11 2.07 -0.50 -2.30 116.25 122.93 1h3b h VAL 375 Ca -0.50 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1h3b h VAL 375 Cb 1.17 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1h3b h VAL 375 CO 0.44 0.27 -0.27 -0.78 0.02 0.00 0.00 177.57 177.25 1h3b h ASP 376 N 0.88 -0.68 0.22 0.57 1.82 -1.85 -0.98 116.42 116.40 1h3b h ASP 376 Ca 0.21 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1h3b h ASP 376 Cb 0.18 0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1h3b h ASP 376 CO -0.02 -0.43 -0.10 0.44 -1.61 0.00 0.00 179.24 177.52 1h3b h ASP 377 N -0.68 -0.25 -0.78 2.28 3.32 -1.85 -1.91 116.42 116.55 1h3b h ASP 377 Ca -0.05 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.15 1h3b h ASP 377 Cb 0.56 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.03 1h3b h ASP 377 CO 0.05 -0.14 -0.04 0.74 -1.72 0.00 0.00 179.24 178.14 1h3b h THR 378 N -0.33 0.28 -0.26 0.35 2.02 -1.33 0.47 112.91 114.11 1h3b h THR 378 Ca -0.03 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1h3b h THR 378 Cb 0.26 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1h3b h THR 378 CO 0.05 0.01 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 1h3b h ALA 379 N 1.75 0.35 -0.37 6.16 0.00 -0.98 0.13 119.26 126.31 1h3b h ALA 379 Ca 0.42 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1h3b h ALA 379 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1h3b h ALA 379 CO -0.72 0.12 0.14 0.28 0.00 0.00 0.00 179.25 179.07 1h3b h VAL 380 N 0.24 1.19 0.50 0.00 2.07 -0.35 -0.93 116.25 118.98 1h3b h VAL 380 Ca 0.07 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1h3b h VAL 380 Cb 0.47 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1h3b h VAL 380 CO 0.02 0.21 -0.24 0.58 0.02 0.00 0.00 177.57 178.16 1h3b h VAL 381 N 0.45 0.48 -0.27 2.57 2.07 -0.07 0.24 116.25 121.72 1h3b h VAL 381 Ca 0.12 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1h3b h VAL 381 Cb 0.20 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1h3b h VAL 381 CO -0.01 0.04 -0.21 0.58 0.02 0.00 0.00 177.57 177.99 1h3b h VAL 382 N -0.81 0.44 -0.73 2.57 2.07 -0.96 0.13 116.25 118.96 1h3b h VAL 382 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1h3b h VAL 382 Cb 0.57 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1h3b h VAL 382 CO 0.11 0.00 0.42 -0.25 0.02 0.00 0.00 177.57 177.87 1h3b h TRP 383 N -0.20 0.77 -0.65 1.57 7.01 -1.10 -0.30 115.95 123.05 1h3b h TRP 383 Ca 0.15 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.21 1h3b h TRP 383 Cb 0.42 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 1h3b h TRP 383 CO -0.39 0.38 0.38 0.00 -2.79 0.00 0.00 178.44 176.02 1h3b h ALA 384 N 1.37 0.85 -0.42 2.65 0.00 0.97 -1.98 119.26 122.70 1h3b h ALA 384 Ca 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1h3b h ALA 384 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h3b h ALA 384 CO -0.18 0.11 0.22 -0.07 0.00 0.00 0.00 179.25 179.32 1h3b h LEU 385 N 0.74 0.53 -0.74 0.00 3.38 0.30 -2.35 115.31 117.18 1h3b h LEU 385 Ca 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1h3b h LEU 385 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1h3b h LEU 385 CO -0.14 0.48 0.15 -3.20 0.09 0.00 0.00 178.44 175.83 1h3b n ASN 386 N -4.70 0.29 -1.10 -0.43 5.15 -0.23 0.10 115.26 114.33 1h3b n ASN 386 Ca 0.00 0.56 0.08 0.00 -0.60 0.00 0.00 54.58 54.62 1h3b n ASN 386 Cb 0.09 -0.55 0.27 0.00 -0.53 0.00 0.00 39.78 39.05 1h3b n ASN 386 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1h3b n THR 387 N -1.88 1.70 -4.39 -0.44 -2.24 -0.88 -4.99 114.28 101.16 1h3b n THR 387 Ca -0.01 -1.33 -0.23 0.00 -2.27 0.00 0.00 64.05 60.21 1h3b n THR 387 Cb 0.17 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 1h3b n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h3b s LEU 388 N -1.85 2.48 -0.45 3.22 1.43 0.11 -4.66 118.68 118.97 1h3b s LEU 388 Ca 0.40 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1h3b s LEU 388 Cb 0.27 -0.96 0.12 0.00 0.03 0.00 0.00 46.19 45.64 1h3b s LEU 388 CO 0.17 0.01 0.21 -0.13 0.23 0.00 0.00 176.35 176.85 1h3b s ARG 389 N -3.00 1.95 0.08 1.70 1.81 -0.26 -5.00 118.95 116.24 1h3b s ARG 389 Ca 0.21 -2.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.12 1h3b s ARG 389 Cb -0.06 -3.46 -0.04 0.00 -0.45 0.00 0.00 34.95 30.94 1h3b s ARG 389 CO 0.09 -1.06 0.22 -0.51 -0.68 0.00 0.00 175.30 173.37 1h3b s LEU 390 N 0.61 4.36 0.09 2.53 1.43 -1.26 -4.46 118.68 121.97 1h3b s LEU 390 Ca 0.12 0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 53.21 1h3b s LEU 390 Cb -0.22 -2.95 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 1h3b s LEU 390 CO -0.04 0.15 1.42 -0.65 0.23 0.00 0.00 176.35 177.46 1h3b h PRO 391 N 2.91 -0.46 -5.80 1.29 0.11 -1.98 -3.19 132.00 124.87 1h3b h PRO 391 Ca -0.46 0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 1h3b h PRO 391 Cb 1.17 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 1h3b h PRO 391 CO 0.75 -0.31 1.74 0.34 -0.21 0.00 0.00 178.00 180.31 1h3b s ASP 392 N -4.27 6.27 0.09 -2.05 -1.08 -1.26 -4.78 116.67 109.60 1h3b s ASP 392 Ca -0.12 -2.00 0.15 0.00 -0.52 0.00 0.00 52.55 50.06 1h3b s ASP 392 Cb 0.05 -2.58 0.64 0.00 -1.46 0.00 0.00 42.92 39.57 1h3b s ASP 392 CO 0.47 -1.76 1.45 -0.62 0.52 0.00 0.00 175.17 175.23 1h3b n GLU 393 N 8.48 0.06 0.03 4.34 -0.58 -1.21 -2.10 120.64 129.67 1h3b n GLU 393 Ca 0.45 0.38 0.07 0.00 -0.42 0.00 0.00 57.16 57.64 1h3b n GLU 393 Cb 0.47 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.62 1h3b n GLU 393 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1h3b n ARG 394 N -1.75 0.63 -0.03 3.49 0.63 -1.26 -2.82 116.66 115.54 1h3b n ARG 394 Ca 0.02 0.03 -0.15 0.00 -0.92 0.00 0.00 57.85 56.83 1h3b n ARG 394 Cb 0.14 -1.70 -0.12 0.00 0.45 0.00 0.00 32.46 31.23 1h3b n ARG 394 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1h3b h ARG 395 N 0.00 0.11 -0.65 -0.14 2.43 -1.83 -0.72 114.38 113.59 1h3b h ARG 395 Ca -0.08 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1h3b h ARG 395 Cb 1.23 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1h3b h ARG 395 CO 0.01 0.88 0.42 -0.09 -1.51 0.00 0.00 179.97 179.68 1h3b h ARG 396 N -0.60 0.84 0.00 0.20 2.43 -1.64 0.40 114.38 116.01 1h3b h ARG 396 Ca -0.02 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1h3b h ARG 396 Cb 0.93 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1h3b h ARG 396 CO 0.03 0.55 -0.32 -0.09 -1.51 0.00 0.00 179.97 178.63 1h3b h ARG 397 N 0.86 0.00 0.00 0.20 9.65 -1.55 -1.92 114.38 121.63 1h3b h ARG 397 Ca 0.24 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 1h3b h ARG 397 Cb -0.08 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1h3b h ARG 397 CO -0.06 0.32 -0.12 0.22 2.80 0.00 0.00 179.97 183.13 1h3b h ASP 398 N 0.00 0.00 -0.07 -3.80 3.58 -0.13 -3.17 116.42 112.84 1h3b h ASP 398 Ca -0.00 -0.88 0.02 0.00 0.42 0.00 0.00 57.03 56.59 1h3b h ASP 398 Cb 0.60 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 1h3b h ASP 398 CO 0.04 1.01 -0.49 0.00 -2.88 0.00 0.00 179.24 176.92 1h3b h ALA 399 N -0.12 -0.88 -0.91 -0.78 0.00 -0.21 -0.82 119.26 115.54 1h3b h ALA 399 Ca -0.03 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.05 1h3b h ALA 399 Cb 0.96 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 19.54 1h3b h ALA 399 CO -0.02 -1.05 0.06 0.52 0.00 0.00 0.00 179.25 178.77 1h3b h MET 400 N -0.57 0.07 -0.37 0.00 2.86 -1.50 0.89 114.93 116.31 1h3b h MET 400 Ca 0.02 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1h3b h MET 400 Cb 0.64 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1h3b h MET 400 CO -0.37 0.05 0.22 1.15 1.06 0.00 0.00 176.91 179.02 1h3b h THR 401 N 0.07 1.12 0.20 2.22 2.02 -1.16 0.41 112.91 117.79 1h3b h THR 401 Ca 0.54 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1h3b h THR 401 Cb 1.08 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1h3b h THR 401 CO -0.80 0.12 -0.09 0.11 0.37 0.00 0.00 175.52 175.23 1h3b h LYS 402 N 0.49 -0.25 -0.37 6.66 1.57 0.15 0.13 116.57 124.93 1h3b h LYS 402 Ca 0.13 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1h3b h LYS 402 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1h3b h LYS 402 CO -0.02 -0.08 0.01 0.78 -0.57 0.00 0.00 179.45 179.56 1h3b h GLY 403 N -0.38 0.37 0.45 3.86 0.00 -0.80 0.02 103.07 106.60 1h3b h GLY 403 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1h3b h GLY 403 CO 0.04 -0.08 -0.50 -2.75 0.00 0.00 0.00 176.54 173.25 1h3b h PHE 404 N 0.11 -1.39 -0.82 5.60 3.04 0.01 -1.25 116.94 122.23 1h3b h PHE 404 Ca 0.18 0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.29 1h3b h PHE 404 Cb 0.25 0.55 -0.10 0.00 2.56 0.00 0.00 35.95 39.21 1h3b h PHE 404 CO -0.25 -0.65 0.39 0.00 -2.02 0.00 0.00 178.31 175.77 1h3b h ARG 405 N -0.96 0.53 0.51 1.11 3.08 -0.64 -1.56 114.38 116.45 1h3b h ARG 405 Ca -0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1h3b h ARG 405 Cb 0.85 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1h3b h ARG 405 CO -0.09 0.35 -0.29 2.35 -1.07 0.00 0.00 179.97 181.23 1h3b h TRP 406 N 0.55 -0.76 -0.48 3.04 7.01 -0.66 -0.29 115.95 124.36 1h3b h TRP 406 Ca 0.45 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.54 1h3b h TRP 406 Cb 0.66 0.26 -0.10 0.00 -2.10 0.00 0.00 29.16 27.89 1h3b h TRP 406 CO -0.12 -0.45 -0.19 0.82 -2.79 0.00 0.00 178.44 175.71 1h3b h ILE 407 N -0.75 0.41 -0.43 2.65 2.04 -0.74 -0.28 117.51 120.40 1h3b h ILE 407 Ca -0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1h3b h ILE 407 Cb 0.60 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1h3b h ILE 407 CO 0.08 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.80 1h3b h VAL 408 N -0.08 0.67 0.00 1.67 2.07 -1.00 -0.03 116.25 119.54 1h3b h VAL 408 Ca 0.23 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1h3b h VAL 408 Cb 0.43 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1h3b h VAL 408 CO -0.53 0.02 0.00 0.61 0.02 0.00 0.00 177.57 177.69 1h3b n GLY 409 N -1.29 -1.07 0.01 2.17 0.00 -0.15 -2.36 105.19 102.51 1h3b n GLY 409 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1h3b n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h3b n MET 410 N -1.71 0.08 -1.68 1.61 2.00 -0.05 -4.93 117.12 112.43 1h3b n MET 410 Ca 0.03 0.01 -0.45 0.00 0.00 0.00 0.00 57.70 57.29 1h3b n MET 410 Cb 0.18 -1.53 -0.04 0.00 0.00 0.00 0.00 33.22 31.83 1h3b n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1h3b n GLN 411 N -1.63 2.21 -1.77 0.03 7.27 -1.00 -4.62 117.38 117.87 1h3b n GLN 411 Ca 0.04 0.79 -0.27 0.00 0.07 0.00 0.00 57.00 57.64 1h3b n GLN 411 Cb 0.36 -2.55 0.19 0.00 2.41 0.00 0.00 30.24 30.65 1h3b n GLN 411 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1h3b n SER 412 N 3.15 0.14 0.26 1.69 7.64 -0.45 -4.91 113.62 121.14 1h3b n SER 412 Ca 0.15 -1.46 -0.16 0.00 1.01 0.00 0.00 58.87 58.41 1h3b n SER 412 Cb 0.30 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.50 1h3b n SER 412 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1h3b h SER 413 N -1.57 -0.87 0.01 6.43 0.02 -1.94 -2.77 113.55 112.87 1h3b h SER 413 Ca -0.39 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1h3b h SER 413 Cb 1.09 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1h3b h SER 413 CO 0.28 -0.50 0.00 -0.46 -1.14 0.00 0.00 176.83 175.01 1h3b n ASN 414 N -5.46 0.00 0.00 3.07 0.23 -1.26 -4.78 115.26 107.06 1h3b n ASN 414 Ca -0.11 -0.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 1h3b n ASN 414 Cb 0.36 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1h3b n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h3b n GLY 415 N -0.76 0.92 2.84 4.83 0.00 -1.04 -4.50 105.19 107.49 1h3b n GLY 415 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1h3b n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 416 N -2.00 1.96 3.19 -0.02 0.00 -1.26 -3.48 105.19 103.57 1h3b n GLY 416 Ca 0.00 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1h3b n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h3b s TRP 417 N -1.62 1.63 0.00 1.61 0.51 -1.26 -1.34 118.94 118.47 1h3b s TRP 417 Ca 0.44 -0.32 0.00 0.00 -2.12 0.00 0.00 56.10 54.10 1h3b s TRP 417 Cb -0.03 -1.03 0.00 0.00 -0.81 0.00 0.00 33.47 31.60 1h3b s TRP 417 CO 0.28 -0.00 0.00 0.41 -0.51 0.00 0.00 176.95 177.13 1h3b n GLY 418 N 2.44 0.79 0.12 0.98 0.00 -1.26 -1.29 105.19 106.97 1h3b n GLY 418 Ca -0.15 -1.95 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 1h3b n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3b n ALA 419 N -3.00 0.94 -0.03 4.61 0.00 -1.26 -4.55 120.51 117.22 1h3b n ALA 419 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 53.44 52.72 1h3b n ALA 419 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1h3b n ALA 419 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h3b n TYR 420 N -4.21 0.00 -4.56 0.00 4.01 -1.26 0.19 117.16 111.33 1h3b n TYR 420 Ca -0.39 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.09 1h3b n TYR 420 Cb 0.80 -0.26 -0.09 0.00 -0.31 0.00 0.00 39.34 39.47 1h3b n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h3b s ASP 421 N -3.90 3.11 -0.13 7.72 1.01 -1.26 -4.69 116.67 118.53 1h3b s ASP 421 Ca -0.04 -1.51 -0.06 0.00 0.71 0.00 0.00 52.55 51.65 1h3b s ASP 421 Cb 0.02 0.13 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 1h3b s ASP 421 CO 0.20 -0.71 0.08 -0.69 0.21 0.00 0.00 175.17 174.27 1h3b s VAL 422 N -3.08 5.01 -1.82 -1.27 1.01 -1.26 -4.22 120.40 114.77 1h3b s VAL 422 Ca 0.27 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1h3b s VAL 422 Cb 0.06 -3.19 0.19 0.00 0.00 0.00 0.00 36.38 33.44 1h3b s VAL 422 CO 0.13 0.57 0.54 0.47 0.00 0.00 0.00 175.10 176.80 1h3b n ASP 423 N 2.50 -1.59 -3.49 3.32 8.00 -1.26 -4.73 116.55 119.30 1h3b n ASP 423 Ca -0.19 -1.22 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 1h3b n ASP 423 Cb 0.54 -1.75 -0.01 0.00 -0.02 0.00 0.00 41.12 39.88 1h3b n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h3b n ASN 424 N -2.55 7.52 -1.02 -2.24 2.85 -1.26 -4.44 115.26 114.13 1h3b n ASN 424 Ca 0.05 -2.89 0.08 0.00 -0.11 0.00 0.00 54.58 51.70 1h3b n ASN 424 Cb 0.49 -1.48 0.25 0.00 1.24 0.00 0.00 39.78 40.29 1h3b n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h3b n THR 425 N 2.98 1.77 -0.66 -0.44 -2.24 -1.26 -2.83 114.28 111.60 1h3b n THR 425 Ca 0.65 -1.41 -0.31 0.00 -2.27 0.00 0.00 64.05 60.71 1h3b n THR 425 Cb 0.27 0.09 0.18 0.00 -2.10 0.00 0.00 70.33 68.77 1h3b n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1h3b n SER 426 N 0.27 -1.29 0.00 3.42 2.88 -1.26 -4.95 113.62 112.69 1h3b n SER 426 Ca 0.19 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1h3b n SER 426 Cb 0.75 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1h3b n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h3b n ASP 427 N -3.17 4.00 -0.19 -3.46 2.03 -1.26 -4.80 116.55 109.70 1h3b n ASP 427 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1h3b n ASP 427 Cb 0.55 0.80 0.09 0.00 -0.72 0.00 0.00 41.12 41.83 1h3b n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1h3b h LEU 428 N 0.00 -0.16 -1.46 -2.67 3.38 -1.96 -2.20 115.31 110.24 1h3b h LEU 428 Ca 0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1h3b h LEU 428 Cb 0.01 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1h3b h LEU 428 CO 0.00 -0.06 0.43 1.55 0.09 0.00 0.00 178.44 180.45 1h3b h PRO 429 N 0.16 0.64 0.00 1.13 0.13 -1.90 -2.62 132.00 129.55 1h3b h PRO 429 Ca 0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1h3b h PRO 429 Cb 0.47 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1h3b h PRO 429 CO -0.45 0.42 0.00 0.09 -0.23 0.00 0.00 178.00 177.83 1h3b n ASN 430 N -4.47 0.00 0.00 1.44 3.02 -0.83 -2.92 115.26 111.50 1h3b n ASN 430 Ca 0.09 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1h3b n ASN 430 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1h3b n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h3b n HIS 431 N -0.50 0.00 -1.79 3.10 8.25 -0.99 -1.28 115.22 122.01 1h3b n HIS 431 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1h3b n HIS 431 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1h3b n HIS 431 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1h3b s ILE 432 N -1.86 2.09 0.21 1.59 -4.36 -1.15 -4.48 121.20 113.25 1h3b s ILE 432 Ca 0.00 0.07 -0.15 0.00 -0.26 0.00 0.00 60.65 60.31 1h3b s ILE 432 Cb 0.00 -3.04 0.22 0.00 1.25 0.00 0.00 42.46 40.90 1h3b s ILE 432 CO 0.00 0.00 1.61 -0.65 0.24 0.00 0.00 174.94 176.14 1h3b h PRO 433 N 1.66 -0.04 -0.71 0.37 0.11 -1.92 -2.77 132.00 128.69 1h3b h PRO 433 Ca -0.51 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.76 1h3b h PRO 433 Cb 1.29 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1h3b h PRO 433 CO 0.58 -0.03 0.15 0.35 -0.21 0.00 0.00 178.00 178.84 1h3b h PHE 434 N -0.05 0.23 -0.84 0.65 3.57 -1.89 -3.35 116.94 115.26 1h3b h PHE 434 Ca 0.30 0.04 -0.68 0.00 3.53 0.00 0.00 57.97 61.16 1h3b h PHE 434 Cb 0.51 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 1h3b h PHE 434 CO -0.56 -0.09 2.23 0.00 -2.23 0.00 0.00 178.31 177.66 1h3b n ASP 436 N 8.36 2.93 -3.76 0.00 5.75 -1.26 -2.26 116.55 126.31 1h3b n ASP 436 Ca 0.49 -2.94 -0.26 0.00 -0.01 0.00 0.00 54.79 52.07 1h3b n ASP 436 Cb 0.46 -0.44 -0.17 0.00 -1.03 0.00 0.00 41.12 39.94 1h3b n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1h3b s PHE 437 N -2.65 0.90 0.00 2.11 2.19 -1.26 -4.76 117.98 114.51 1h3b s PHE 437 Ca 0.33 -0.56 0.00 0.00 0.33 0.00 0.00 56.93 57.03 1h3b s PHE 437 Cb 0.28 -0.94 0.00 0.00 -1.31 0.00 0.00 43.02 41.04 1h3b s PHE 437 CO 0.06 -0.49 0.00 0.41 1.83 0.00 0.00 175.22 177.03 1h3b n GLY 438 N 5.09 0.59 3.81 13.12 0.00 -1.26 -4.82 105.19 121.72 1h3b n GLY 438 Ca -0.08 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1h3b n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h3b s GLU 439 N 0.00 4.06 0.00 1.61 0.41 -1.26 -4.93 118.70 118.58 1h3b s GLU 439 Ca 0.00 1.22 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1h3b s GLU 439 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1h3b s GLU 439 CO 0.00 -0.19 0.00 0.28 -0.49 0.00 0.00 175.26 174.86 1h3b n VAL 440 N -0.76 0.00 -4.43 2.63 0.31 -1.26 -4.90 118.33 109.93 1h3b n VAL 440 Ca 0.08 -0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 63.91 1h3b n VAL 440 Cb 0.53 0.90 -0.10 0.00 -0.91 0.00 0.00 33.84 34.26 1h3b n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1h3b s THR 441 N -0.81 1.58 -0.62 2.52 -4.23 -1.26 -0.09 115.64 112.73 1h3b s THR 441 Ca 0.00 -2.11 0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1h3b s THR 441 Cb 0.00 -2.47 0.21 0.00 1.34 0.00 0.00 72.50 71.58 1h3b s THR 441 CO 0.00 -0.28 0.60 -0.67 -0.54 0.00 0.00 174.62 173.73 1h3b n ASP 442 N -0.58 2.73 -4.88 3.99 2.03 -1.13 -4.71 116.55 113.99 1h3b n ASP 442 Ca -0.05 -3.18 -0.30 0.00 0.52 0.00 0.00 54.79 51.78 1h3b n ASP 442 Cb 0.64 -0.69 0.01 0.00 -0.72 0.00 0.00 41.12 40.36 1h3b n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h3b s PRO 443 N -1.75 3.51 0.54 -0.67 0.04 -1.13 -4.07 135.00 131.48 1h3b s PRO 443 Ca 0.33 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 1h3b s PRO 443 Cb 0.07 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1h3b s PRO 443 CO -0.10 -0.51 0.96 -2.30 0.04 0.00 0.00 177.00 175.09 1h3b n PRO 444 N -2.63 1.05 -4.19 0.56 -0.02 -1.26 -4.57 135.00 123.94 1h3b n PRO 444 Ca 0.05 0.39 -0.16 0.00 -2.02 0.00 0.00 63.50 61.76 1h3b n PRO 444 Cb 0.55 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 1h3b n PRO 444 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h3b s SER 445 N -1.07 1.58 0.13 2.55 1.04 -0.41 -4.89 113.70 112.64 1h3b s SER 445 Ca 0.71 -0.78 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 1h3b s SER 445 Cb -0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.64 1h3b s SER 445 CO 0.51 -0.21 1.68 -0.33 0.98 0.00 0.00 173.24 175.86 1h3b h GLU 446 N 3.66 0.58 -0.22 4.02 3.07 -1.88 -2.10 114.58 121.72 1h3b h GLU 446 Ca -0.38 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 1h3b h GLU 446 Cb 1.19 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1h3b h GLU 446 CO 0.51 0.55 0.10 0.38 -1.40 0.00 0.00 179.01 179.15 1h3b h ASP 447 N 0.48 0.29 0.27 1.42 2.03 -1.89 0.11 116.42 119.13 1h3b h ASP 447 Ca 0.13 -0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1h3b h ASP 447 Cb 0.19 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1h3b h ASP 447 CO -0.01 0.33 -0.13 0.58 -1.03 0.00 0.00 179.24 178.98 1h3b h VAL 448 N 0.22 0.76 -1.00 4.15 2.07 -1.86 -1.44 116.25 119.15 1h3b h VAL 448 Ca 0.08 -0.18 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1h3b h VAL 448 Cb 0.12 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 1h3b h VAL 448 CO -0.01 0.04 0.62 0.74 0.02 0.00 0.00 177.57 178.98 1h3b h THR 449 N -0.46 0.75 -0.07 2.57 2.02 -1.30 -0.30 112.91 116.13 1h3b h THR 449 Ca -0.04 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1h3b h THR 449 Cb 0.34 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1h3b h THR 449 CO 0.06 0.14 0.03 0.00 0.37 0.00 0.00 175.52 176.12 1h3b h ALA 450 N 1.62 0.09 -0.92 6.16 0.00 -0.37 -1.73 119.26 124.12 1h3b h ALA 450 Ca 0.56 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1h3b h ALA 450 Cb 0.83 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1h3b h ALA 450 CO -0.34 -0.32 0.61 0.45 0.00 0.00 0.00 179.25 179.65 1h3b h HIS 451 N -0.05 1.15 -0.07 0.00 3.86 -0.10 -1.08 115.15 118.86 1h3b h HIS 451 Ca 0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1h3b h HIS 451 Cb 0.17 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 1h3b h HIS 451 CO -0.02 0.72 0.04 0.28 0.86 0.00 0.00 177.93 179.82 1h3b h VAL 452 N 1.24 1.04 -0.03 2.45 2.07 -0.91 -0.90 116.25 121.21 1h3b h VAL 452 Ca 0.34 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.78 1h3b h VAL 452 Cb -0.14 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1h3b h VAL 452 CO -0.08 0.04 -0.14 -0.07 0.02 0.00 0.00 177.57 177.34 1h3b h LEU 453 N 0.07 -0.42 -2.02 2.57 3.38 -0.69 -0.42 115.31 117.78 1h3b h LEU 453 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1h3b h LEU 453 Cb 0.02 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1h3b h LEU 453 CO -0.01 -0.20 -0.03 -0.08 0.09 0.00 0.00 178.44 178.22 1h3b h GLU 454 N -0.22 0.00 0.70 1.13 4.81 -1.12 0.42 114.58 120.30 1h3b h GLU 454 Ca 0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1h3b h GLU 454 Cb 0.30 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1h3b h GLU 454 CO -0.16 0.03 -0.34 0.00 -0.73 0.00 0.00 179.01 177.82 1h3b h PHE 456 N -1.17 0.28 -0.78 0.00 0.04 -0.56 -2.28 116.94 112.46 1h3b h PHE 456 Ca -0.10 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.85 1h3b h PHE 456 Cb 0.74 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 38.72 1h3b h PHE 456 CO 0.00 0.02 -0.27 0.78 -0.60 0.00 0.00 178.31 178.24 1h3b h GLY 457 N 0.31 0.30 0.39 -1.45 0.00 -0.00 0.27 103.07 102.89 1h3b h GLY 457 Ca 0.31 0.36 0.21 0.00 0.00 0.00 0.00 47.33 48.20 1h3b h GLY 457 CO -0.36 -0.26 0.57 1.48 0.00 0.00 0.00 176.54 177.97 1h3b h SER 458 N -0.05 0.25 0.47 0.19 4.64 -0.88 0.43 113.55 118.61 1h3b h SER 458 Ca 0.34 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1h3b h SER 458 Cb 0.58 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1h3b h SER 458 CO -0.82 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 175.73 1h3b n PHE 459 N -4.43 0.00 0.00 4.77 3.72 0.93 -4.88 117.46 117.57 1h3b n PHE 459 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1h3b n PHE 459 Cb 0.74 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1h3b n PHE 459 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h3b n GLY 460 N 0.61 2.84 3.42 1.37 0.00 0.15 -5.08 105.19 108.51 1h3b n GLY 460 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1h3b n GLY 460 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h3b n TYR 461 N -0.97 -1.36 -3.02 1.61 4.02 -1.24 -4.98 117.16 111.23 1h3b n TYR 461 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 1h3b n TYR 461 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 39.34 37.51 1h3b n TYR 461 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h3b n ASP 462 N -1.14 0.00 0.22 7.72 5.68 -1.26 -4.49 116.55 123.28 1h3b n ASP 462 Ca 0.07 -0.55 0.15 0.00 -0.50 0.00 0.00 54.79 53.96 1h3b n ASP 462 Cb 0.53 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.32 1h3b n ASP 462 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1h3b h ASP 463 N 0.00 0.00 -0.53 -1.12 3.58 -1.88 -2.51 116.42 113.96 1h3b h ASP 463 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1h3b h ASP 463 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1h3b h ASP 463 CO 0.00 0.00 0.04 0.00 -2.88 0.00 0.00 179.24 176.40 1h3b h ALA 464 N 2.01 0.71 -2.60 -0.78 0.00 -1.95 -3.39 119.26 113.25 1h3b h ALA 464 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 1h3b h ALA 464 Cb 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 17.79 17.65 1h3b h ALA 464 CO 0.00 0.49 0.84 -0.46 0.00 0.00 0.00 179.25 180.12 1h3b s TRP 465 N -5.09 3.10 0.30 0.00 -0.00 -0.95 -4.92 118.94 111.39 1h3b s TRP 465 Ca -0.12 0.73 0.05 0.00 -0.00 0.00 0.00 56.10 56.76 1h3b s TRP 465 Cb 0.12 -3.86 0.70 0.00 -0.00 0.00 0.00 33.47 30.43 1h3b s TRP 465 CO 0.82 -3.13 1.80 -0.22 -0.00 0.00 0.00 176.95 176.23 1h3b h LYS 466 N 6.68 0.80 -0.06 5.86 3.64 -1.88 -2.42 116.57 129.19 1h3b h LYS 466 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1h3b h LYS 466 Cb 1.21 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1h3b h LYS 466 CO 0.89 0.53 0.04 0.28 -2.27 0.00 0.00 179.45 178.92 1h3b h VAL 467 N 0.82 1.03 -0.47 2.00 2.07 -1.93 -0.85 116.25 118.91 1h3b h VAL 467 Ca 0.55 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 68.01 1h3b h VAL 467 Cb 0.78 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1h3b h VAL 467 CO -0.34 0.02 0.29 0.40 0.02 0.00 0.00 177.57 177.96 1h3b h ILE 468 N 0.07 1.14 0.08 4.57 1.08 -1.73 -2.31 117.51 120.41 1h3b h ILE 468 Ca 0.02 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1h3b h ILE 468 Cb 0.00 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1h3b h ILE 468 CO -0.00 0.15 -0.16 -0.09 -0.69 0.00 0.00 178.15 177.35 1h3b h ARG 469 N 0.63 -0.30 -0.96 2.37 2.43 -1.19 0.27 114.38 117.63 1h3b h ARG 469 Ca 0.17 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.53 1h3b h ARG 469 Cb -0.01 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 1h3b h ARG 469 CO -0.03 -0.20 0.61 0.00 -1.51 0.00 0.00 179.97 178.84 1h3b h ARG 470 N -0.31 0.70 0.08 0.20 3.08 -1.01 0.17 114.38 117.29 1h3b h ARG 470 Ca 0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1h3b h ARG 470 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1h3b h ARG 470 CO -0.10 0.46 -0.04 0.00 -1.07 0.00 0.00 179.97 179.22 1h3b h ALA 471 N 1.61 -0.11 -0.84 0.04 0.00 -0.75 -2.31 119.26 116.90 1h3b h ALA 471 Ca 0.52 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1h3b h ALA 471 Cb 0.85 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1h3b h ALA 471 CO -0.28 -0.35 0.53 0.28 0.00 0.00 0.00 179.25 179.42 1h3b h VAL 472 N -0.52 1.07 -0.95 0.00 2.07 0.47 0.77 116.25 119.17 1h3b h VAL 472 Ca -0.01 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1h3b h VAL 472 Cb 0.44 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 1h3b h VAL 472 CO 0.02 0.18 0.62 -0.33 0.02 0.00 0.00 177.57 178.08 1h3b h GLU 473 N 0.99 1.18 0.25 1.57 4.39 -0.67 0.11 114.58 122.39 1h3b h GLU 473 Ca 0.36 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1h3b h GLU 473 Cb 0.11 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1h3b h GLU 473 CO -0.15 0.78 -0.12 -0.92 -1.16 0.00 0.00 179.01 177.44 1h3b h TYR 474 N 1.22 -0.31 -0.90 4.33 3.20 -0.34 -1.48 116.97 122.69 1h3b h TYR 474 Ca 0.37 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1h3b h TYR 474 Cb -0.03 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1h3b h TYR 474 CO -0.00 -0.19 0.60 -0.07 -1.64 0.00 0.00 178.16 176.86 1h3b h LEU 475 N -0.34 1.02 -0.55 2.82 3.38 -0.54 -1.42 115.31 119.68 1h3b h LEU 475 Ca -0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1h3b h LEU 475 Cb 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1h3b h LEU 475 CO 0.06 0.73 0.34 0.11 0.09 0.00 0.00 178.44 179.76 1h3b h LYS 476 N 1.20 0.65 0.00 1.13 1.57 -0.50 -1.80 116.57 118.82 1h3b h LYS 476 Ca 0.34 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1h3b h LYS 476 Cb -0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1h3b h LYS 476 CO -0.08 0.43 -0.29 0.00 -0.57 0.00 0.00 179.45 178.94 1h3b h ARG 477 N 0.67 0.00 0.00 3.15 3.08 -0.80 -3.13 114.38 117.34 1h3b h ARG 477 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1h3b h ARG 477 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1h3b h ARG 477 CO -0.09 0.29 -0.62 0.93 -1.07 0.00 0.00 179.97 179.40 1h3b h GLU 478 N 0.00 0.00 -6.42 0.04 4.39 -0.81 -3.47 114.58 108.31 1h3b h GLU 478 Ca -0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1h3b h GLU 478 Cb 0.78 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.58 1h3b h GLU 478 CO 0.04 0.00 -0.26 0.94 -1.16 0.00 0.00 179.01 178.57 1h3b n GLN 479 N -2.59 0.74 -2.88 2.33 7.27 -0.72 -4.86 117.38 116.68 1h3b n GLN 479 Ca 0.02 0.27 -0.29 0.00 0.07 0.00 0.00 57.00 57.07 1h3b n GLN 479 Cb 0.51 -1.65 -0.02 0.00 2.41 0.00 0.00 30.24 31.48 1h3b n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h3b s LYS 480 N -1.74 3.67 0.29 3.69 -0.14 0.10 -4.96 119.74 120.65 1h3b s LYS 480 Ca 0.64 0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 55.51 1h3b s LYS 480 Cb -0.58 -2.44 0.63 0.00 -1.68 0.00 0.00 37.83 33.77 1h3b s LYS 480 CO 0.57 -0.04 1.59 -1.35 -0.76 0.00 0.00 175.35 175.35 1h3b h PRO 481 N 0.98 0.03 -0.95 -1.68 0.11 -1.93 0.43 132.00 129.00 1h3b h PRO 481 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1h3b h PRO 481 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1h3b h PRO 481 CO 0.63 0.02 0.03 -0.40 -0.21 0.00 0.00 178.00 178.08 1h3b n ASP 482 N -5.48 2.18 -0.49 -2.05 5.75 -1.26 -4.84 116.55 110.36 1h3b n ASP 482 Ca 0.20 -2.19 -0.06 0.00 -0.01 0.00 0.00 54.79 52.72 1h3b n ASP 482 Cb 0.65 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1h3b n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h3b n GLY 483 N 0.14 0.80 3.94 6.12 0.00 0.15 -4.72 105.19 111.63 1h3b n GLY 483 Ca 0.06 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1h3b n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h3b s SER 484 N -2.49 5.60 -0.10 1.61 1.04 -1.24 -3.89 113.70 114.24 1h3b s SER 484 Ca 0.00 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1h3b s SER 484 Cb 0.00 -0.95 0.02 0.00 0.10 0.00 0.00 66.02 65.18 1h3b s SER 484 CO 0.00 -0.51 -0.13 0.26 0.98 0.00 0.00 173.24 173.84 1h3b s TRP 485 N -2.29 1.72 0.58 5.02 0.51 -1.26 0.00 118.94 123.22 1h3b s TRP 485 Ca 0.46 -0.77 -0.18 0.00 -2.12 0.00 0.00 56.10 53.49 1h3b s TRP 485 Cb -0.08 -1.28 -0.08 0.00 -0.81 0.00 0.00 33.47 31.22 1h3b s TRP 485 CO 0.30 -0.42 0.52 0.34 -0.51 0.00 0.00 176.95 177.17 1h3b n PHE 486 N 4.22 -0.73 -3.83 -1.98 7.35 -1.26 -2.93 117.46 118.31 1h3b n PHE 486 Ca -0.19 0.44 -0.35 0.00 -0.76 0.00 0.00 57.45 56.58 1h3b n PHE 486 Cb 0.51 -1.95 -0.12 0.00 0.35 0.00 0.00 39.48 38.27 1h3b n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1h3b s GLY 487 N -1.18 1.94 -0.03 7.13 0.00 -1.11 -4.26 107.32 109.80 1h3b s GLY 487 Ca 0.68 -2.39 -0.25 0.00 0.00 0.00 0.00 44.72 42.77 1h3b s GLY 487 CO 0.55 0.95 1.17 -0.09 0.00 0.00 0.00 173.10 175.69 1h3b h ARG 488 N 8.00 -0.07 -0.44 2.90 9.65 -1.93 -3.35 114.38 129.14 1h3b h ARG 488 Ca -0.14 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 1h3b h ARG 488 Cb 1.05 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 1h3b h ARG 488 CO 0.65 0.41 0.02 0.91 2.80 0.00 0.00 179.97 184.77 1h3b n TRP 489 N -4.88 1.56 -3.64 2.20 7.02 -1.26 -4.66 117.44 113.78 1h3b n TRP 489 Ca -0.09 -0.88 -0.05 0.00 -1.02 0.00 0.00 57.50 55.46 1h3b n TRP 489 Cb 0.26 -0.44 -0.07 0.00 -2.42 0.00 0.00 31.31 28.65 1h3b n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1h3b s GLY 490 N -1.41 -0.21 -0.48 6.99 0.00 -1.26 -3.08 107.32 107.87 1h3b s GLY 490 Ca 0.49 2.82 -0.28 0.00 0.00 0.00 0.00 44.72 47.75 1h3b s GLY 490 CO 0.12 2.35 1.75 0.14 0.00 0.00 0.00 173.10 177.45 1h3b s VAL 491 N 1.13 3.50 0.00 1.40 1.01 -0.02 -4.48 120.40 122.94 1h3b s VAL 491 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1h3b s VAL 491 Cb -0.04 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1h3b s VAL 491 CO -0.13 -0.74 0.00 -3.20 0.00 0.00 0.00 175.10 171.03 1h3b n ASN 492 N 11.14 0.00 0.21 3.32 2.85 -1.26 -4.48 115.26 127.04 1h3b n ASN 492 Ca 0.20 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.73 1h3b n ASN 492 Cb 0.49 0.00 0.47 0.00 1.24 0.00 0.00 39.78 41.98 1h3b n ASN 492 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1h3b h TYR 493 N 0.00 0.00 0.01 1.20 0.05 -1.84 0.15 116.97 116.53 1h3b h TYR 493 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1h3b h TYR 493 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1h3b h TYR 493 CO 0.00 0.28 -0.88 -0.07 -1.05 0.00 0.00 178.16 176.44 1h3b h LEU 494 N 0.00 0.21 -0.11 3.88 3.38 -1.86 -1.23 115.31 119.58 1h3b h LEU 494 Ca -0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1h3b h LEU 494 Cb 0.55 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1h3b h LEU 494 CO 0.04 0.99 -0.15 0.22 0.09 0.00 0.00 178.44 179.62 1h3b h TYR 495 N 0.09 0.37 0.27 1.13 3.20 -1.53 -1.44 116.97 119.05 1h3b h TYR 495 Ca -0.04 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 1h3b h TYR 495 Cb 1.52 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.72 1h3b h TYR 495 CO 0.02 0.75 -0.13 0.78 -1.64 0.00 0.00 178.16 177.95 1h3b h GLY 496 N -0.12 -0.38 0.62 1.82 0.00 -0.79 -1.84 103.07 102.38 1h3b h GLY 496 Ca 0.01 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.56 1h3b h GLY 496 CO 0.04 -0.14 0.54 -0.84 0.00 0.00 0.00 176.54 176.14 1h3b h THR 497 N -0.79 0.99 -0.08 4.70 2.02 -1.10 0.11 112.91 118.76 1h3b h THR 497 Ca -0.04 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 66.84 1h3b h THR 497 Cb 0.51 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1h3b h THR 497 CO 0.06 0.17 -0.04 1.23 0.37 0.00 0.00 175.52 177.31 1h3b h GLY 498 N 0.94 0.04 0.98 2.16 0.00 -1.24 -2.24 103.07 103.71 1h3b h GLY 498 Ca 0.41 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1h3b h GLY 498 CO -0.21 -0.05 -0.33 0.00 0.00 0.00 0.00 176.54 175.94 1h3b h ALA 499 N 1.04 -0.93 -0.29 3.60 0.00 -0.36 -2.22 119.26 120.10 1h3b h ALA 499 Ca 0.05 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1h3b h ALA 499 Cb 0.11 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1h3b h ALA 499 CO -0.11 -1.01 -0.31 0.28 0.00 0.00 0.00 179.25 178.11 1h3b h VAL 500 N -0.97 0.28 -0.19 0.00 2.07 -0.79 0.09 116.25 116.75 1h3b h VAL 500 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1h3b h VAL 500 Cb 0.72 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1h3b h VAL 500 CO 0.16 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.44 1h3b h VAL 501 N -0.29 1.08 -0.87 2.57 2.07 -1.45 0.13 116.25 119.48 1h3b h VAL 501 Ca 0.14 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.60 1h3b h VAL 501 Cb 0.52 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1h3b h VAL 501 CO -0.45 0.08 0.56 -1.28 0.02 0.00 0.00 177.57 176.50 1h3b h SER 502 N 0.23 0.66 0.23 0.57 0.87 -0.96 -1.30 113.55 113.84 1h3b h SER 502 Ca 0.07 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1h3b h SER 502 Cb 0.03 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1h3b h SER 502 CO -0.01 0.34 -0.11 0.00 -0.53 0.00 0.00 176.83 176.52 1h3b h ALA 503 N 1.60 -0.58 -1.30 6.23 0.00 -0.22 -3.07 119.26 121.92 1h3b h ALA 503 Ca 0.43 -0.07 0.40 0.00 0.00 0.00 0.00 54.91 55.67 1h3b h ALA 503 Cb 0.66 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1h3b h ALA 503 CO -0.19 -0.55 0.86 -0.07 0.00 0.00 0.00 179.25 179.29 1h3b h LEU 504 N -0.53 0.24 -0.87 0.00 3.38 -0.60 1.44 115.31 118.37 1h3b h LEU 504 Ca -0.03 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 504 Cb 0.23 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1h3b h LEU 504 CO 0.05 -0.09 -0.32 0.50 0.09 0.00 0.00 178.44 178.67 1h3b h LYS 505 N 0.14 0.45 0.00 1.13 3.11 -1.29 -2.62 116.57 117.49 1h3b h LYS 505 Ca 0.76 -0.19 -0.11 0.00 -2.81 0.00 0.00 60.65 58.29 1h3b h LYS 505 Cb 2.41 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.61 1h3b h LYS 505 CO -0.32 0.72 -0.52 0.00 -2.81 0.00 0.00 179.45 176.52 1h3b h ALA 506 N 1.27 0.73 -0.41 5.00 0.00 0.21 -3.23 119.26 122.82 1h3b h ALA 506 Ca 0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1h3b h ALA 506 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1h3b h ALA 506 CO 0.06 0.66 0.04 1.33 0.00 0.00 0.00 179.25 181.34 1h3b n VAL 507 N -3.34 1.92 0.00 0.00 0.24 -0.74 -4.63 118.33 111.78 1h3b n VAL 507 Ca 0.01 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 1h3b n VAL 507 Cb 0.69 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 1h3b n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h3b n GLY 508 N 0.32 2.75 2.73 7.63 0.00 -1.22 -2.53 105.19 114.87 1h3b n GLY 508 Ca 0.21 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1h3b n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h3b n ILE 509 N 0.00 0.00 -3.20 -0.61 2.08 -1.00 -4.86 119.36 111.77 1h3b n ILE 509 Ca 0.00 -0.44 -0.41 0.00 0.56 0.00 0.00 62.75 62.46 1h3b n ILE 509 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 38.82 1h3b n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h3b s ASP 510 N -0.87 6.35 0.58 4.38 2.15 -1.26 -4.68 116.67 123.31 1h3b s ASP 510 Ca 0.42 0.01 0.28 0.00 0.43 0.00 0.00 52.55 53.70 1h3b s ASP 510 Cb -0.30 -2.29 1.61 0.00 -0.30 0.00 0.00 42.92 41.65 1h3b s ASP 510 CO 0.65 -0.52 2.08 0.71 -0.17 0.00 0.00 175.17 177.93 1h3b h THR 511 N 5.63 0.51 0.00 1.71 1.35 -1.92 -1.95 112.91 118.23 1h3b h THR 511 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1h3b h THR 511 Cb 1.12 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1h3b h THR 511 CO 0.79 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.60 1h3b n ARG 512 N -3.87 0.04 -0.70 4.72 1.74 -1.26 -4.00 116.66 113.33 1h3b n ARG 512 Ca 0.02 0.14 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 1h3b n ARG 512 Cb 0.35 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.45 1h3b n ARG 512 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1h3b n GLU 513 N -1.47 -0.95 0.19 5.56 -0.58 -0.74 -4.76 120.64 117.90 1h3b n GLU 513 Ca 0.06 -0.24 -0.07 0.00 -0.42 0.00 0.00 57.16 56.48 1h3b n GLU 513 Cb 0.23 -1.95 -0.04 0.00 -0.57 0.00 0.00 31.44 29.11 1h3b n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h3b h PRO 514 N -1.90 -0.46 -0.91 3.49 0.11 -1.90 -2.20 132.00 128.21 1h3b h PRO 514 Ca -0.48 0.03 0.23 0.00 0.11 0.00 0.00 66.00 65.89 1h3b h PRO 514 Cb 1.31 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.47 1h3b h PRO 514 CO 0.38 -0.31 0.62 0.10 -0.21 0.00 0.00 178.00 178.59 1h3b h TYR 515 N -0.54 0.33 0.16 0.65 -0.00 -1.96 0.34 116.97 115.94 1h3b h TYR 515 Ca -0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.68 1h3b h TYR 515 Cb 0.37 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.00 1h3b h TYR 515 CO 0.11 0.07 -0.08 0.82 -0.00 0.00 0.00 178.16 179.09 1h3b h ILE 516 N 0.23 0.97 -0.38 -0.90 1.08 -1.83 -2.38 117.51 114.30 1h3b h ILE 516 Ca 0.46 -0.68 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1h3b h ILE 516 Cb 1.43 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 36.53 1h3b h ILE 516 CO -0.12 0.16 0.20 1.56 -0.69 0.00 0.00 178.15 179.25 1h3b h GLN 517 N -0.55 0.39 -0.38 2.37 1.08 -0.40 -0.88 115.11 116.74 1h3b h GLN 517 Ca -0.02 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.27 1h3b h GLN 517 Cb 0.42 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1h3b h GLN 517 CO 0.04 0.26 0.30 -0.22 -0.95 0.00 0.00 178.83 178.25 1h3b h LYS 518 N 0.40 0.00 0.06 1.46 3.64 -0.37 0.12 116.57 121.88 1h3b h LYS 518 Ca 0.16 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1h3b h LYS 518 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1h3b h LYS 518 CO -0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 179.45 177.04 1h3b h ALA 519 N 1.76 -0.09 -0.70 5.00 0.00 -0.76 -2.98 119.26 121.49 1h3b h ALA 519 Ca 0.18 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1h3b h ALA 519 Cb 0.78 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 1h3b h ALA 519 CO -0.00 -0.11 -0.23 -0.07 0.00 0.00 0.00 179.25 178.84 1h3b h LEU 520 N -0.97 -0.84 0.02 0.00 3.38 -0.11 -0.15 115.31 116.64 1h3b h LEU 520 Ca -0.01 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1h3b h LEU 520 Cb 0.47 0.50 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1h3b h LEU 520 CO 0.01 -0.26 -0.30 0.44 0.09 0.00 0.00 178.44 178.42 1h3b h ASP 521 N -0.05 -0.89 -1.21 -0.43 3.32 -0.92 -0.59 116.42 115.66 1h3b h ASP 521 Ca 0.32 0.11 0.37 0.00 0.02 0.00 0.00 57.03 57.85 1h3b h ASP 521 Cb 0.54 0.35 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 1h3b h ASP 521 CO -0.74 -0.37 0.78 -0.25 -1.72 0.00 0.00 179.24 176.94 1h3b h TRP 522 N -0.46 0.56 0.68 4.55 7.01 -0.88 0.27 115.95 127.67 1h3b h TRP 522 Ca 0.06 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1h3b h TRP 522 Cb 0.54 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.46 1h3b h TRP 522 CO -0.32 -0.11 -0.33 0.28 -2.79 0.00 0.00 178.44 175.18 1h3b h VAL 523 N 0.19 0.00 -1.00 2.65 2.07 -0.42 -3.10 116.25 116.64 1h3b h VAL 523 Ca 0.73 -0.22 0.24 0.00 0.82 0.00 0.00 66.70 68.27 1h3b h VAL 523 Cb 2.17 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.82 1h3b h VAL 523 CO -0.37 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 177.48 1h3b h GLU 524 N -1.13 0.57 0.00 1.57 5.08 -0.67 -0.70 114.58 119.30 1h3b h GLU 524 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1h3b h GLU 524 Cb 0.70 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1h3b h GLU 524 CO 0.15 0.38 0.00 1.96 -1.00 0.00 0.00 179.01 180.50 1h3b h GLN 525 N 0.59 0.00 -0.35 2.33 4.20 -1.13 -2.72 115.11 118.03 1h3b h GLN 525 Ca 0.64 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.35 1h3b h GLN 525 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1h3b h GLN 525 CO -0.47 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.41 1h3b n HIS 526 N -3.04 0.75 -2.13 2.96 8.25 -0.27 -4.98 115.22 116.76 1h3b n HIS 526 Ca -0.02 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.37 1h3b n HIS 526 Cb 0.15 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1h3b n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1h3b s GLN 527 N -1.76 4.25 0.54 -0.41 0.74 -1.03 -4.69 119.66 117.30 1h3b s GLN 527 Ca 0.33 2.08 -0.19 0.00 0.05 0.00 0.00 55.36 57.63 1h3b s GLN 527 Cb 0.22 -3.60 -0.06 0.00 1.10 0.00 0.00 33.01 30.68 1h3b s GLN 527 CO 0.14 -0.63 1.10 -0.80 -0.55 0.00 0.00 175.29 174.55 1h3b s ASN 528 N 2.09 5.82 0.38 6.67 0.01 -0.52 -4.93 114.94 124.46 1h3b s ASN 528 Ca 0.67 2.09 0.16 0.00 -0.71 0.00 0.00 52.86 55.07 1h3b s ASN 528 Cb -0.34 -2.57 1.06 0.00 0.41 0.00 0.00 41.25 39.81 1h3b s ASN 528 CO 0.28 -1.15 1.75 1.55 -1.51 0.00 0.00 177.10 178.02 1h3b h PRO 529 N 1.15 0.42 0.00 -0.60 0.13 -1.94 -1.18 132.00 129.98 1h3b h PRO 529 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1h3b h PRO 529 Cb 1.25 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1h3b h PRO 529 CO 0.57 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.22 1h3b n ASP 530 N -4.71 0.00 0.00 1.44 5.68 -1.26 -4.84 116.55 112.86 1h3b n ASP 530 Ca 0.26 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1h3b n ASP 530 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 1h3b n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3b n GLY 531 N -0.19 2.99 4.03 6.12 0.00 -0.44 -4.73 105.19 112.96 1h3b n GLY 531 Ca 0.05 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1h3b n GLY 531 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 532 N -1.28 1.76 0.29 -0.02 0.00 -1.26 -3.01 107.32 103.81 1h3b s GLY 532 Ca 0.00 -2.02 0.08 0.00 0.00 0.00 0.00 44.72 42.78 1h3b s GLY 532 CO 0.00 -1.59 0.12 -0.98 0.00 0.00 0.00 173.10 170.66 1h3b s TRP 533 N -2.69 2.82 0.06 1.90 0.51 -1.26 -1.43 118.94 118.85 1h3b s TRP 533 Ca 0.61 -0.26 -0.26 0.00 -2.12 0.00 0.00 56.10 54.07 1h3b s TRP 533 Cb -0.06 -1.45 0.08 0.00 -0.81 0.00 0.00 33.47 31.22 1h3b s TRP 533 CO 0.39 0.46 0.67 0.20 -0.51 0.00 0.00 176.95 178.16 1h3b s GLY 534 N -3.80 -0.58 -0.28 0.98 0.00 -1.25 -1.69 107.32 100.70 1h3b s GLY 534 Ca 0.35 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.96 1h3b s GLY 534 CO 0.23 0.47 0.51 1.85 0.00 0.00 0.00 173.10 176.15 1h3b s GLU 535 N -2.75 0.49 0.68 2.90 2.12 -1.24 -3.37 118.70 117.52 1h3b s GLU 535 Ca -0.03 0.55 -0.16 0.00 0.36 0.00 0.00 54.97 55.69 1h3b s GLU 535 Cb -0.01 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1h3b s GLU 535 CO -0.05 -0.87 1.19 0.34 -0.54 0.00 0.00 175.26 175.34 1h3b s ASP 536 N 2.71 4.65 0.11 -1.70 2.15 0.59 -4.73 116.67 120.45 1h3b s ASP 536 Ca 0.13 2.30 0.13 0.00 0.43 0.00 0.00 52.55 55.54 1h3b s ASP 536 Cb -0.13 -2.58 0.59 0.00 -0.30 0.00 0.00 42.92 40.50 1h3b s ASP 536 CO -0.24 -1.95 1.39 0.00 -0.17 0.00 0.00 175.17 174.20 1h3b h ARG 538 N 0.00 0.00 0.00 0.00 3.08 -1.94 -2.80 114.38 112.72 1h3b h ARG 538 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h3b h ARG 538 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1h3b h ARG 538 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1h3b n SER 539 N -2.76 0.00 0.01 7.04 3.41 -0.71 -0.52 113.62 120.09 1h3b n SER 539 Ca -0.00 0.36 -0.06 0.00 -0.26 0.00 0.00 58.87 58.91 1h3b n SER 539 Cb 0.19 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 1h3b n SER 539 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1h3b h TYR 540 N 0.00 0.00 0.00 7.33 0.05 -1.76 -3.40 116.97 119.18 1h3b h TYR 540 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 1h3b h TYR 540 Cb 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 1h3b h TYR 540 CO 0.00 0.88 -1.15 0.39 -1.05 0.00 0.00 178.16 177.23 1h3b n GLU 541 N -3.04 0.53 -3.91 4.88 -0.58 0.33 -4.79 120.64 114.05 1h3b n GLU 541 Ca -0.13 0.53 -0.35 0.00 -0.42 0.00 0.00 57.16 56.79 1h3b n GLU 541 Cb 0.98 -1.70 -0.14 0.00 -0.57 0.00 0.00 31.44 30.01 1h3b n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1h3b s ASP 542 N -6.56 4.81 0.30 1.62 2.15 -0.23 -4.99 116.67 113.76 1h3b s ASP 542 Ca -0.26 -1.19 0.12 0.00 0.43 0.00 0.00 52.55 51.66 1h3b s ASP 542 Cb 0.05 -1.71 0.68 0.00 -0.30 0.00 0.00 42.92 41.64 1h3b s ASP 542 CO 0.47 -0.24 1.27 -0.81 -0.17 0.00 0.00 175.17 175.70 1h3b n PRO 543 N 4.64 0.09 0.24 4.34 -0.04 -1.26 -0.82 135.00 142.19 1h3b n PRO 543 Ca -0.14 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1h3b n PRO 543 Cb 0.44 -2.06 0.54 0.00 -0.04 0.00 0.00 33.50 32.38 1h3b n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h3b h ALA 544 N 1.22 1.03 -0.01 0.55 0.00 -1.93 -2.85 119.26 117.27 1h3b h ALA 544 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1h3b h ALA 544 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1h3b h ALA 544 CO 0.00 0.19 -0.05 0.66 0.00 0.00 0.00 179.25 180.05 1h3b n TYR 545 N -3.31 0.00 -1.64 0.00 4.01 0.00 -4.73 117.16 111.50 1h3b n TYR 545 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 1h3b n TYR 545 Cb 0.38 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.34 1h3b n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h3b n ALA 546 N -0.25 1.49 0.00 -0.72 0.00 -1.08 -0.28 120.51 119.67 1h3b n ALA 546 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1h3b n ALA 546 Cb 0.31 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1h3b n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3b n GLY 547 N 4.95 2.80 3.88 0.00 0.00 -1.26 -5.01 105.19 110.56 1h3b n GLY 547 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1h3b n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3b s LYS 548 N -0.20 3.73 0.00 1.61 1.02 0.61 -4.48 119.74 122.03 1h3b s LYS 548 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.12 1h3b s LYS 548 Cb 0.00 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1h3b s LYS 548 CO 0.00 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1h3b n GLY 549 N 0.02 4.07 3.69 -3.33 0.00 -1.22 -0.30 105.19 108.13 1h3b n GLY 549 Ca -0.01 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 1h3b n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3b n ALA 550 N -1.85 1.18 -1.93 4.61 0.00 -1.26 -3.94 120.51 117.32 1h3b n ALA 550 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1h3b n ALA 550 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 1h3b n ALA 550 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1h3b s SER 551 N -0.64 7.03 0.12 0.00 0.01 -1.26 -3.86 113.70 115.10 1h3b s SER 551 Ca 0.63 2.36 0.06 0.00 1.31 0.00 0.00 55.95 60.31 1h3b s SER 551 Cb -0.49 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.08 1h3b s SER 551 CO 0.56 -0.38 -0.14 0.42 0.41 0.00 0.00 173.24 174.11 1h3b s THR 552 N -0.46 1.35 0.19 1.44 -4.23 -0.68 -4.91 115.64 108.34 1h3b s THR 552 Ca 0.51 -1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1h3b s THR 552 Cb -0.35 -1.52 0.09 0.00 1.34 0.00 0.00 72.50 72.07 1h3b s THR 552 CO 0.41 -0.39 1.84 -0.65 -0.54 0.00 0.00 174.62 175.30 1h3b h PRO 553 N 3.58 0.75 0.50 3.99 0.11 -1.87 -1.21 132.00 137.85 1h3b h PRO 553 Ca -0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1h3b h PRO 553 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1h3b h PRO 553 CO 0.49 0.50 -0.24 0.66 -0.21 0.00 0.00 178.00 179.20 1h3b h SER 554 N 0.78 -0.57 -0.24 -2.05 4.64 -1.84 -0.80 113.55 113.46 1h3b h SER 554 Ca 0.23 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.55 1h3b h SER 554 Cb -0.06 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1h3b h SER 554 CO -0.06 -0.19 0.20 1.56 -0.87 0.00 0.00 176.83 177.47 1h3b h GLN 555 N -1.03 0.00 -0.06 4.77 4.20 -1.85 0.10 115.11 121.25 1h3b h GLN 555 Ca -0.07 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1h3b h GLN 555 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1h3b h GLN 555 CO 0.11 0.00 -0.16 1.15 -0.67 0.00 0.00 178.83 179.26 1h3b h THR 556 N 0.00 1.44 -0.83 -0.54 2.02 -1.13 -2.64 112.91 111.22 1h3b h THR 556 Ca 0.12 -1.54 0.07 0.00 0.77 0.00 0.00 66.41 65.83 1h3b h THR 556 Cb 0.52 2.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 1h3b h THR 556 CO -0.00 0.43 0.54 0.00 0.37 0.00 0.00 175.52 176.86 1h3b h ALA 557 N 0.45 1.62 0.30 6.16 0.00 0.54 0.11 119.26 128.43 1h3b h ALA 557 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1h3b h ALA 557 Cb 0.77 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h3b h ALA 557 CO 0.03 0.25 -0.14 -1.49 0.00 0.00 0.00 179.25 177.90 1h3b h TRP 558 N 0.89 -0.37 -0.42 0.00 6.55 -0.84 0.09 115.95 121.84 1h3b h TRP 558 Ca 0.36 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.18 1h3b h TRP 558 Cb 0.26 0.12 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 1h3b h TRP 558 CO -0.00 -0.09 0.23 0.00 -1.05 0.00 0.00 178.44 177.53 1h3b h ALA 559 N -0.01 1.61 -0.09 1.49 0.00 -1.19 -1.14 119.26 119.93 1h3b h ALA 559 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1h3b h ALA 559 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h3b h ALA 559 CO 0.07 0.33 -0.28 1.25 0.00 0.00 0.00 179.25 180.62 1h3b h LEU 560 N 0.58 0.16 -0.11 0.00 5.85 -0.50 -2.15 115.31 119.14 1h3b h LEU 560 Ca 0.15 -0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.58 1h3b h LEU 560 Cb 0.02 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1h3b h LEU 560 CO -0.02 0.44 -0.88 0.24 -0.34 0.00 0.00 178.44 177.87 1h3b h MET 561 N 0.14 0.75 -0.44 1.25 2.86 0.24 -1.93 114.93 117.80 1h3b h MET 561 Ca 0.02 -0.68 0.02 0.00 -2.06 0.00 0.00 59.70 57.00 1h3b h MET 561 Cb 0.57 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1h3b h MET 561 CO 0.04 1.28 0.25 0.00 1.06 0.00 0.00 176.91 179.54 1h3b h ALA 562 N 0.51 0.56 -0.35 6.32 0.00 -1.08 0.75 119.26 125.98 1h3b h ALA 562 Ca -0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1h3b h ALA 562 Cb 1.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1h3b h ALA 562 CO 0.18 -0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.40 1h3b h LEU 563 N 0.50 0.50 -0.71 0.00 3.38 -1.37 -0.77 115.31 116.85 1h3b h LEU 563 Ca 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 563 Cb 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1h3b h LEU 563 CO -0.10 0.57 0.35 0.40 0.09 0.00 0.00 178.44 179.75 1h3b h ILE 564 N 0.41 1.23 -0.47 1.22 2.04 -0.98 -1.34 117.51 119.63 1h3b h ILE 564 Ca 0.11 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1h3b h ILE 564 Cb 0.24 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1h3b h ILE 564 CO -0.00 0.27 0.18 0.00 0.00 0.00 0.00 178.15 178.59 1h3b h ALA 565 N 1.17 0.61 0.00 1.87 0.00 -0.68 -2.70 119.26 119.53 1h3b h ALA 565 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1h3b h ALA 565 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1h3b h ALA 565 CO -0.03 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1h3b n GLY 566 N -0.76 1.31 3.56 0.00 0.00 -0.31 -4.82 105.19 104.17 1h3b n GLY 566 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h3b n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 567 N 0.13 1.88 1.08 -0.02 0.00 -1.02 -4.86 105.19 102.38 1h3b n GLY 567 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1h3b n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3b n ARG 568 N -2.00 1.05 0.16 1.61 1.74 -0.53 -4.45 116.66 114.24 1h3b n ARG 568 Ca 0.00 -0.12 -0.16 0.00 -0.77 0.00 0.00 57.85 56.80 1h3b n ARG 568 Cb 0.00 -1.05 -0.09 0.00 -1.02 0.00 0.00 32.46 30.31 1h3b n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h3b h ALA 569 N 1.91 -0.91 -0.92 7.54 0.00 -1.79 -3.17 119.26 121.92 1h3b h ALA 569 Ca 0.03 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 54.18 1h3b h ALA 569 Cb 1.07 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 1h3b h ALA 569 CO 0.05 -1.08 1.94 -1.21 0.00 0.00 0.00 179.25 178.95 1h3b s GLU 570 N -5.86 3.81 0.11 0.00 2.02 -1.26 -4.38 118.70 113.13 1h3b s GLU 570 Ca -0.17 -1.69 -0.00 0.00 0.02 0.00 0.00 54.97 53.14 1h3b s GLU 570 Cb 0.06 -5.47 -0.04 0.00 0.10 0.00 0.00 34.13 28.78 1h3b s GLU 570 CO 0.62 -2.31 0.01 0.45 0.02 0.00 0.00 175.26 174.05 1h3b s SER 571 N 4.57 0.60 0.02 -0.19 0.15 -1.20 -5.02 113.70 112.63 1h3b s SER 571 Ca 0.52 -1.12 -0.27 0.00 0.70 0.00 0.00 55.95 55.78 1h3b s SER 571 Cb 0.03 0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 64.40 1h3b s SER 571 CO 0.03 -0.64 1.16 -0.08 1.20 0.00 0.00 173.24 174.91 1h3b h GLU 572 N 2.93 -0.81 -0.65 5.44 4.57 -1.90 0.14 114.58 124.30 1h3b h GLU 572 Ca -0.35 0.06 0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1h3b h GLU 572 Cb 1.18 0.18 -0.11 0.00 -0.16 0.00 0.00 28.75 29.85 1h3b h GLU 572 CO 0.62 -0.50 0.05 0.00 -1.18 0.00 0.00 179.01 178.00 1h3b h ALA 573 N -1.00 0.71 0.60 2.92 0.00 -1.96 0.36 119.26 120.89 1h3b h ALA 573 Ca -0.09 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1h3b h ALA 573 Cb 0.69 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1h3b h ALA 573 CO 0.14 -0.38 -0.29 0.00 0.00 0.00 0.00 179.25 178.72 1h3b h ALA 574 N 1.57 -0.82 -0.44 0.00 0.00 -1.80 0.11 119.26 117.89 1h3b h ALA 574 Ca 0.35 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1h3b h ALA 574 Cb 0.57 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1h3b h ALA 574 CO -0.52 -0.96 0.01 0.00 0.00 0.00 0.00 179.25 177.78 1h3b h ARG 575 N -0.82 0.12 -0.27 0.00 3.08 0.07 -1.11 114.38 115.46 1h3b h ARG 575 Ca -0.08 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1h3b h ARG 575 Cb 0.63 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1h3b h ARG 575 CO 0.13 0.08 -0.16 0.00 -1.07 0.00 0.00 179.97 178.95 1h3b h ARG 576 N 0.13 -0.13 -0.21 0.04 2.47 -0.08 -1.08 114.38 115.51 1h3b h ARG 576 Ca 0.22 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.97 1h3b h ARG 576 Cb 0.31 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1h3b h ARG 576 CO -0.35 -0.09 0.05 0.78 0.56 0.00 0.00 179.97 180.92 1h3b h GLY 577 N -0.13 0.25 0.62 0.04 0.00 0.04 -1.92 103.07 101.97 1h3b h GLY 577 Ca 0.14 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.53 1h3b h GLY 577 CO -0.35 0.01 0.56 -2.08 0.00 0.00 0.00 176.54 174.67 1h3b h VAL 578 N 0.14 0.99 0.11 4.60 2.07 -0.81 -1.61 116.25 121.73 1h3b h VAL 578 Ca 0.10 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1h3b h VAL 578 Cb 0.08 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 1h3b h VAL 578 CO -0.12 0.18 -0.22 -0.61 0.02 0.00 0.00 177.57 176.81 1h3b h GLN 579 N 0.97 -0.40 -0.63 1.57 5.75 -0.58 -1.52 115.11 120.27 1h3b h GLN 579 Ca 0.42 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 59.06 1h3b h GLN 579 Cb 0.28 0.09 -0.12 0.00 1.07 0.00 0.00 27.48 28.80 1h3b h GLN 579 CO -0.21 -0.26 -0.23 -0.92 -2.65 0.00 0.00 178.83 174.55 1h3b h TYR 580 N -0.41 -0.58 -0.47 3.99 5.03 -0.56 0.13 116.97 124.09 1h3b h TYR 580 Ca 0.03 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.36 1h3b h TYR 580 Cb 0.44 0.35 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 1h3b h TYR 580 CO -0.21 -0.33 0.09 -0.07 -1.32 0.00 0.00 178.16 176.32 1h3b h LEU 581 N -0.07 0.67 -0.34 2.82 3.38 -1.15 0.55 115.31 121.18 1h3b h LEU 581 Ca 0.28 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1h3b h LEU 581 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1h3b h LEU 581 CO -0.68 0.68 0.03 0.58 0.09 0.00 0.00 178.44 179.14 1h3b h VAL 582 N 0.69 1.25 0.44 1.22 2.07 0.18 -2.76 116.25 119.33 1h3b h VAL 582 Ca 0.15 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1h3b h VAL 582 Cb 0.30 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1h3b h VAL 582 CO 0.00 0.30 -0.21 -0.33 0.02 0.00 0.00 177.57 177.35 1h3b h GLU 583 N 0.39 -0.56 0.00 1.57 5.08 -0.59 -3.23 114.58 117.25 1h3b h GLU 583 Ca 0.10 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1h3b h GLU 583 Cb 0.40 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1h3b h GLU 583 CO 0.01 -0.31 0.13 0.25 -1.00 0.00 0.00 179.01 178.09 1h3b n THR 584 N -5.17 0.94 -1.70 1.13 -2.24 0.16 -4.73 114.28 102.67 1h3b n THR 584 Ca -0.08 0.71 -0.38 0.00 -2.27 0.00 0.00 64.05 62.03 1h3b n THR 584 Cb 0.26 -1.71 0.06 0.00 -2.10 0.00 0.00 70.33 66.84 1h3b n THR 584 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1h3b n GLN 585 N -2.07 1.24 -2.99 -0.78 7.27 -1.04 -4.72 117.38 114.30 1h3b n GLN 585 Ca -0.01 0.47 -0.24 0.00 0.07 0.00 0.00 57.00 57.30 1h3b n GLN 585 Cb 0.16 -2.44 0.01 0.00 2.41 0.00 0.00 30.24 30.37 1h3b n GLN 585 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1h3b s ARG 586 N -3.04 3.15 0.45 3.69 0.52 -0.51 -5.00 118.95 118.21 1h3b s ARG 586 Ca 0.77 -0.40 0.10 0.00 -0.52 0.00 0.00 55.73 55.69 1h3b s ARG 586 Cb -0.41 -2.55 1.01 0.00 0.52 0.00 0.00 34.95 33.53 1h3b s ARG 586 CO 0.45 -0.23 2.09 -1.35 0.02 0.00 0.00 175.30 176.28 1h3b h PRO 587 N 0.41 0.34 0.00 3.54 0.11 -1.95 -1.68 132.00 132.77 1h3b h PRO 587 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1h3b h PRO 587 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h3b h PRO 587 CO 0.58 0.23 -0.02 0.38 -0.21 0.00 0.00 178.00 178.96 1h3b h ASP 588 N 0.36 0.00 0.00 -2.05 3.04 -1.96 -3.47 116.42 112.34 1h3b h ASP 588 Ca 0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1h3b h ASP 588 Cb -0.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.25 1h3b h ASP 588 CO -0.02 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1h3b n GLY 589 N 0.65 1.94 0.00 7.15 0.00 -0.63 -4.49 105.19 109.82 1h3b n GLY 589 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1h3b n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 590 N -0.02 -1.31 3.15 -0.02 0.00 -1.26 -4.10 105.19 101.64 1h3b n GLY 590 Ca 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 1h3b n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h3b s TRP 591 N -0.61 0.28 0.28 1.61 0.51 -1.26 -1.42 118.94 118.33 1h3b s TRP 591 Ca 0.00 -0.74 0.08 0.00 -2.12 0.00 0.00 56.10 53.32 1h3b s TRP 591 Cb 0.00 -0.18 -0.04 0.00 -0.81 0.00 0.00 33.47 32.44 1h3b s TRP 591 CO 0.00 -0.46 0.19 -0.51 -0.51 0.00 0.00 176.95 175.65 1h3b s ASP 592 N -2.78 5.23 -0.43 2.95 1.01 -1.26 -4.77 116.67 116.61 1h3b s ASP 592 Ca 0.04 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.90 1h3b s ASP 592 Cb 0.05 -1.14 0.19 0.00 1.01 0.00 0.00 42.92 43.04 1h3b s ASP 592 CO -0.10 -0.14 0.82 -0.70 0.21 0.00 0.00 175.17 175.26 1h3b s GLU 593 N -3.86 0.72 0.00 8.23 2.12 -1.26 -4.52 118.70 120.13 1h3b s GLU 593 Ca 0.35 -0.56 0.03 0.00 0.36 0.00 0.00 54.97 55.15 1h3b s GLU 593 Cb -0.07 0.00 0.19 0.00 0.26 0.00 0.00 34.13 34.52 1h3b s GLU 593 CO 0.24 -0.94 0.64 -0.35 -0.54 0.00 0.00 175.26 174.31 1h3b n PRO 594 N 3.32 0.45 -4.38 4.30 -0.04 -1.26 -4.73 135.00 132.66 1h3b n PRO 594 Ca 0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 1h3b n PRO 594 Cb 0.59 -1.11 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 1h3b n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h3b s TYR 595 N -2.00 2.50 0.02 0.54 2.02 -1.26 -4.73 117.35 114.44 1h3b s TYR 595 Ca 0.05 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.22 1h3b s TYR 595 Cb 0.02 -1.27 -0.06 0.00 -0.40 0.00 0.00 41.96 40.25 1h3b s TYR 595 CO 0.04 0.59 0.48 0.71 -1.57 0.00 0.00 175.55 175.79 1h3b s TYR 596 N -2.48 3.75 0.00 2.71 1.51 -1.26 -4.94 117.35 116.64 1h3b s TYR 596 Ca 0.32 1.10 0.00 0.00 -1.01 0.00 0.00 57.07 57.48 1h3b s TYR 596 Cb -0.03 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.44 1h3b s TYR 596 CO 0.18 0.59 0.68 0.25 -1.11 0.00 0.00 175.55 176.15 1h3b n THR 597 N 1.90 0.46 -4.61 -0.71 -2.24 -1.25 -4.79 114.28 103.04 1h3b n THR 597 Ca -0.12 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 60.81 1h3b n THR 597 Cb 0.52 0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 1h3b n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h3b s GLY 598 N -0.46 1.65 -0.10 3.38 0.00 -0.90 -0.84 107.32 110.04 1h3b s GLY 598 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1h3b s GLY 598 CO 0.00 -0.94 -0.17 -1.59 0.00 0.00 0.00 173.10 170.40 1h3b s THR 599 N -0.92 2.71 -0.14 0.90 2.01 -1.18 -1.17 115.64 117.85 1h3b s THR 599 Ca 0.15 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1h3b s THR 599 Cb -0.11 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1h3b s THR 599 CO 0.05 0.55 -0.22 0.61 -0.69 0.00 0.00 174.62 174.92 1h3b n GLY 600 N 3.26 -0.80 2.79 4.40 0.00 0.19 -4.32 105.19 110.72 1h3b n GLY 600 Ca -0.18 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1h3b n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3b s PHE 601 N -2.38 0.49 0.10 1.61 0.08 -0.25 -4.96 117.98 112.68 1h3b s PHE 601 Ca -0.18 -0.07 -0.35 0.00 0.12 0.00 0.00 56.93 56.45 1h3b s PHE 601 Cb 0.03 -0.61 -0.15 0.00 -0.57 0.00 0.00 43.02 41.71 1h3b s PHE 601 CO 0.27 -0.22 1.49 -2.30 -0.10 0.00 0.00 175.22 174.36 1h3b n PRO 602 N 4.66 1.69 -0.30 0.24 -0.02 -1.26 -1.73 135.00 138.29 1h3b n PRO 602 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1h3b n PRO 602 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1h3b n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3b n GLY 603 N 3.10 1.44 0.00 -1.23 0.00 -1.26 -4.74 105.19 102.50 1h3b n GLY 603 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1h3b n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h3b n ASP 604 N 0.00 3.11 -3.51 1.61 8.00 -0.70 -5.02 116.55 120.04 1h3b n ASP 604 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1h3b n ASP 604 Cb 0.00 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1h3b n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h3b s PHE 605 N -1.28 -1.26 0.16 1.24 5.36 -0.98 -4.94 117.98 116.28 1h3b s PHE 605 Ca 0.00 1.90 0.09 0.00 -0.96 0.00 0.00 56.93 57.97 1h3b s PHE 605 Cb 0.00 0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 43.22 1h3b s PHE 605 CO 0.00 -0.69 -0.15 0.71 -1.46 0.00 0.00 175.22 173.63 1h3b s TYR 606 N 2.80 2.54 0.16 10.12 1.51 -1.26 -0.64 117.35 132.58 1h3b s TYR 606 Ca 0.03 -0.26 0.09 0.00 -1.01 0.00 0.00 57.07 55.92 1h3b s TYR 606 Cb -0.13 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1h3b s TYR 606 CO -0.18 0.47 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.02 1h3b s LEU 607 N -2.58 2.41 -0.32 -1.29 1.43 -0.32 -4.46 118.68 113.56 1h3b s LEU 607 Ca 0.22 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1h3b s LEU 607 Cb -0.09 -0.89 0.07 0.00 0.03 0.00 0.00 46.19 45.30 1h3b s LEU 607 CO 0.12 0.01 0.02 -0.83 0.23 0.00 0.00 176.35 175.90 1h3b s GLY 608 N -2.52 1.80 -0.77 -3.19 0.00 0.16 -2.11 107.32 100.69 1h3b s GLY 608 Ca 0.15 -1.96 -0.23 0.00 0.00 0.00 0.00 44.72 42.68 1h3b s GLY 608 CO 0.07 0.76 1.12 -0.19 0.00 0.00 0.00 173.10 174.85 1h3b s TYR 609 N 1.18 2.65 0.51 1.90 1.51 -1.26 -1.43 117.35 122.40 1h3b s TYR 609 Ca -0.02 -0.63 0.38 0.00 -1.01 0.00 0.00 57.07 55.79 1h3b s TYR 609 Cb -0.20 -4.41 1.54 0.00 -0.11 0.00 0.00 41.96 38.78 1h3b s TYR 609 CO -0.03 -1.75 1.68 1.15 -1.11 0.00 0.00 175.55 175.50 1h3b h THR 610 N 6.06 0.22 0.00 -0.71 2.02 -1.84 -0.78 112.91 117.88 1h3b h THR 610 Ca -0.15 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1h3b h THR 610 Cb 1.05 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1h3b h THR 610 CO 1.22 0.01 -0.77 0.24 0.37 0.00 0.00 175.52 176.59 1h3b h MET 611 N 0.06 0.00 -0.77 6.66 2.86 -1.89 -3.38 114.93 118.47 1h3b h MET 611 Ca 0.75 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.53 1h3b h MET 611 Cb 2.77 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 34.33 1h3b h MET 611 CO -0.13 0.00 0.33 1.88 1.06 0.00 0.00 176.91 180.05 1h3b h TYR 612 N 0.00 0.56 -0.08 -0.22 -1.99 -1.55 -0.13 116.97 113.56 1h3b h TYR 612 Ca 0.00 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.79 1h3b h TYR 612 Cb 0.94 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.54 1h3b h TYR 612 CO 0.00 0.08 0.09 0.07 -0.00 0.00 0.00 178.16 178.40 1h3b h ARG 613 N 0.48 0.00 0.00 4.88 0.11 -1.74 -2.50 114.38 115.60 1h3b h ARG 613 Ca 0.43 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.13 1h3b h ARG 613 Cb 0.64 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.65 1h3b h ARG 613 CO -0.40 0.00 -2.39 0.72 0.10 0.00 0.00 179.97 178.00 1h3b n HIS 614 N -3.88 0.00 -0.01 4.08 8.25 -0.39 -4.35 115.22 118.92 1h3b n HIS 614 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1h3b n HIS 614 Cb 0.19 -0.93 -0.10 0.00 1.12 0.00 0.00 29.99 30.26 1h3b n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h3b h VAL 615 N -0.09 1.40 -0.51 1.59 2.07 -1.03 -3.09 116.25 116.58 1h3b h VAL 615 Ca -0.55 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 65.53 1h3b h VAL 615 Cb 1.82 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.87 1h3b h VAL 615 CO -0.11 0.34 0.01 -0.26 0.02 0.00 0.00 177.57 177.57 1h3b h PHE 616 N -0.62 0.97 -0.85 1.57 0.04 -1.68 0.29 116.94 116.66 1h3b h PHE 616 Ca -0.00 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.62 1h3b h PHE 616 Cb 0.59 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 1h3b h PHE 616 CO 0.13 0.90 0.56 -1.35 -0.60 0.00 0.00 178.31 177.95 1h3b h PRO 617 N 0.77 1.09 -0.50 1.51 0.11 -1.73 0.24 132.00 133.50 1h3b h PRO 617 Ca 0.15 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1h3b h PRO 617 Cb 0.51 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1h3b h PRO 617 CO 0.02 0.72 0.26 1.15 -0.21 0.00 0.00 178.00 179.95 1h3b h THR 618 N 1.13 1.18 -0.65 -1.15 2.02 -1.40 0.02 112.91 114.06 1h3b h THR 618 Ca 0.32 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1h3b h THR 618 Cb -0.08 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1h3b h THR 618 CO -0.09 0.19 0.27 0.25 0.37 0.00 0.00 175.52 176.51 1h3b h LEU 619 N 0.66 0.89 -0.24 2.58 5.85 -0.08 0.34 115.31 125.30 1h3b h LEU 619 Ca 0.17 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1h3b h LEU 619 Cb 0.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1h3b h LEU 619 CO -0.03 0.81 0.02 0.00 -0.34 0.00 0.00 178.44 178.90 1h3b h ALA 620 N 1.11 0.33 -0.61 1.25 0.00 -0.29 -2.01 119.26 119.04 1h3b h ALA 620 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1h3b h ALA 620 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1h3b h ALA 620 CO -0.02 0.04 0.17 -0.07 0.00 0.00 0.00 179.25 179.37 1h3b h LEU 621 N 0.21 0.87 -1.71 0.00 3.38 -0.83 -0.93 115.31 116.30 1h3b h LEU 621 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1h3b h LEU 621 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1h3b h LEU 621 CO 0.01 0.83 -0.18 1.23 0.09 0.00 0.00 178.44 180.42 1h3b h GLY 622 N 1.02 0.00 1.47 0.83 0.00 -0.72 -1.25 103.07 104.41 1h3b h GLY 622 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1h3b h GLY 622 CO -0.01 0.00 -0.82 3.21 0.00 0.00 0.00 176.54 178.92 1h3b h ARG 623 N 0.00 0.00 0.07 4.80 3.08 -0.56 -2.79 114.38 118.98 1h3b h ARG 623 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1h3b h ARG 623 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1h3b h ARG 623 CO 0.02 0.26 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.23 1h3b h TYR 624 N 0.00 -0.09 0.00 3.04 3.20 -0.63 -2.18 116.97 120.31 1h3b h TYR 624 Ca -0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1h3b h TYR 624 Cb 1.31 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1h3b h TYR 624 CO 0.00 0.49 0.00 -0.22 -1.64 0.00 0.00 178.16 176.79 1h3b h LYS 625 N -0.82 0.00 0.20 1.82 3.64 -1.36 -0.51 116.57 119.53 1h3b h LYS 625 Ca -0.01 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1h3b h LYS 625 Cb 0.62 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1h3b h LYS 625 CO 0.02 0.00 -1.19 0.37 -2.27 0.00 0.00 179.45 176.37 1h3b h GLN 626 N 0.00 0.46 -1.55 1.90 5.75 -1.29 -3.10 115.11 117.28 1h3b h GLN 626 Ca 0.00 -0.76 0.00 0.00 -0.15 0.00 0.00 58.65 57.74 1h3b h GLN 626 Cb 0.00 0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1h3b h GLN 626 CO 0.00 1.36 0.00 0.00 -2.65 0.00 0.00 178.83 177.54 1h3b n ALA 627 N -2.69 3.31 -1.00 3.38 0.00 -0.20 -4.31 120.51 118.99 1h3b n ALA 627 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1h3b n ALA 627 Cb 0.98 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1h3b n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1h3b n ILE 628 N 1.05 0.00 0.00 0.00 5.41 -1.24 -4.91 119.36 119.67 1h3b n ILE 628 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1h3b n ILE 628 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 1h3b n ILE 628 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76