#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 -0.95 0.00 -0.00 -2.00 -3.28 116.97 110.74 1h3b h TYR 11 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.73 58.82 1h3b h TYR 11 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 36.61 1h3b h TYR 11 CO 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 178.16 177.62 1h3b n ALA 12 N -2.36 -0.57 -0.29 0.10 0.00 -1.26 0.37 120.51 116.51 1h3b n ALA 12 Ca -0.03 0.82 0.02 0.00 0.00 0.00 0.00 53.44 54.25 1h3b n ALA 12 Cb 0.09 -0.16 0.16 0.00 0.00 0.00 0.00 19.45 19.54 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 0.77 -0.97 0.00 3.08 -1.98 0.54 114.38 115.81 1h3b h ARG 13 Ca 0.17 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.28 1h3b h ARG 13 Cb 0.40 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 1h3b h ARG 13 CO -0.90 0.51 0.60 1.15 -1.07 0.00 0.00 179.97 180.26 1h3b h THR 14 N 0.79 0.92 0.04 2.04 2.02 -0.27 0.19 112.91 118.64 1h3b h THR 14 Ca 0.38 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1h3b h THR 14 Cb 0.33 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1h3b h THR 14 CO -0.23 0.18 -0.02 0.25 0.37 0.00 0.00 175.52 176.06 1h3b h LEU 15 N 0.96 -0.04 -2.24 2.58 6.46 0.28 -1.72 115.31 121.59 1h3b h LEU 15 Ca 0.48 -0.58 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1h3b h LEU 15 Cb 0.46 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1h3b h LEU 15 CO -0.26 0.58 0.07 0.44 -0.62 0.00 0.00 178.44 178.65 1h3b h ASP 16 N -0.70 0.00 0.50 1.25 3.32 0.35 -0.06 116.42 121.09 1h3b h ASP 16 Ca -0.01 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 1h3b h ASP 16 Cb 0.62 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.18 1h3b h ASP 16 CO 0.01 0.00 -1.15 0.03 -1.72 0.00 0.00 179.24 176.41 1h3b h ARG 17 N 0.00 0.34 -0.49 3.56 3.08 -0.61 -2.60 114.38 117.66 1h3b h ARG 17 Ca 0.04 -0.49 -0.11 0.00 0.07 0.00 0.00 59.98 59.49 1h3b h ARG 17 Cb 0.17 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1h3b h ARG 17 CO -0.00 1.19 -0.12 0.00 -1.07 0.00 0.00 179.97 179.97 1h3b h ALA 18 N 0.61 0.84 0.49 0.04 0.00 -0.14 -2.38 119.26 118.73 1h3b h ALA 18 Ca -0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1h3b h ALA 18 Cb 1.84 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1h3b h ALA 18 CO 0.19 0.65 -0.24 0.28 0.00 0.00 0.00 179.25 180.14 1h3b h VAL 19 N 0.83 0.45 -0.98 0.00 2.07 -1.12 -1.89 116.25 115.61 1h3b h VAL 19 Ca 0.13 -0.33 0.26 0.00 0.82 0.00 0.00 66.70 67.58 1h3b h VAL 19 Cb 0.66 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1h3b h VAL 19 CO 0.05 0.05 0.67 -0.33 0.02 0.00 0.00 177.57 178.03 1h3b h GLU 20 N -0.88 0.20 -0.03 1.57 5.08 -1.44 -1.22 114.58 117.87 1h3b h GLU 20 Ca -0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1h3b h GLU 20 Cb 0.59 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1h3b h GLU 20 CO 0.11 0.13 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.15 1h3b h TYR 21 N 0.20 0.23 0.00 4.33 3.20 -1.18 -2.97 116.97 120.79 1h3b h TYR 21 Ca 0.50 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.29 1h3b h TYR 21 Cb 1.60 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.80 1h3b h TYR 21 CO -0.00 0.84 -0.25 -0.07 -1.64 0.00 0.00 178.16 177.04 1h3b h LEU 22 N -0.44 -0.73 -1.92 2.82 3.38 -0.43 -1.71 115.31 116.28 1h3b h LEU 22 Ca -0.01 0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.27 1h3b h LEU 22 Cb 0.86 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1h3b h LEU 22 CO 0.04 -0.32 0.54 -0.07 0.09 0.00 0.00 178.44 178.72 1h3b h LEU 23 N -0.39 0.07 -0.19 1.67 3.38 -1.39 0.30 115.31 118.77 1h3b h LEU 23 Ca 0.06 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 23 Cb 0.47 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1h3b h LEU 23 CO -0.22 0.03 -0.58 0.77 0.09 0.00 0.00 178.44 178.53 1h3b h SER 24 N 0.07 0.00 1.27 -0.43 4.64 -1.16 -3.16 113.55 114.78 1h3b h SER 24 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1h3b h SER 24 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1h3b h SER 24 CO -0.03 0.58 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 1h3b s GLN 26 N -3.13 4.05 0.66 0.00 0.74 -1.03 -4.73 119.66 116.23 1h3b s GLN 26 Ca 0.10 2.09 -0.07 0.00 0.05 0.00 0.00 55.36 57.53 1h3b s GLN 26 Cb 0.12 -2.79 0.04 0.00 1.10 0.00 0.00 33.01 31.48 1h3b s GLN 26 CO 0.55 -0.40 0.98 0.15 -0.55 0.00 0.00 175.29 176.02 1h3b s LYS 27 N -2.17 2.52 0.10 1.67 3.01 0.11 -4.97 119.74 120.02 1h3b s LYS 27 Ca 0.56 -0.08 -0.27 0.00 -1.01 0.00 0.00 55.97 55.16 1h3b s LYS 27 Cb -0.37 -2.19 -0.11 0.00 -1.01 0.00 0.00 37.83 34.16 1h3b s LYS 27 CO 0.47 -1.03 1.66 -0.44 0.51 0.00 0.00 175.35 176.52 1h3b h ASP 28 N -0.46 -0.54 0.00 2.83 5.19 -1.96 -1.53 116.42 119.96 1h3b h ASP 28 Ca -0.45 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1h3b h ASP 28 Cb 1.29 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.99 1h3b h ASP 28 CO 0.61 -0.29 0.29 -0.33 -3.12 0.00 0.00 179.24 176.40 1h3b h GLU 29 N -0.42 0.00 0.00 3.56 3.07 -1.97 -3.44 114.58 115.38 1h3b h GLU 29 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1h3b h GLU 29 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1h3b h GLU 29 CO -0.06 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.96 1h3b n GLY 30 N -1.24 0.74 3.89 -3.84 0.00 -0.57 -4.76 105.19 99.41 1h3b n GLY 30 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 2.92 0.06 1.61 -0.85 -1.26 -3.76 117.35 114.07 1h3b s TYR 31 Ca 0.00 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.29 1h3b s TYR 31 Cb 0.00 -1.90 -0.04 0.00 0.38 0.00 0.00 41.96 40.40 1h3b s TYR 31 CO 0.00 0.09 -0.09 -1.58 -1.52 0.00 0.00 175.55 172.45 1h3b s TRP 32 N -2.30 2.80 -0.31 -3.49 0.51 -1.26 -0.71 118.94 114.18 1h3b s TRP 32 Ca 0.43 -0.11 0.05 0.00 -2.12 0.00 0.00 56.10 54.36 1h3b s TRP 32 Cb -0.06 -1.51 0.19 0.00 -0.81 0.00 0.00 33.47 31.27 1h3b s TRP 32 CO 0.28 0.39 0.56 -0.46 -0.51 0.00 0.00 176.95 177.21 1h3b s TRP 33 N -1.11 -1.66 0.12 -1.98 -0.00 -1.26 -3.70 118.94 109.34 1h3b s TRP 33 Ca 0.19 0.81 -0.05 0.00 -0.00 0.00 0.00 56.10 57.05 1h3b s TRP 33 Cb -0.11 0.22 -0.05 0.00 -0.00 0.00 0.00 33.47 33.52 1h3b s TRP 33 CO 0.11 -1.08 0.36 0.20 -0.00 0.00 0.00 176.95 176.54 1h3b s GLY 34 N 2.64 2.25 0.60 5.86 0.00 -1.26 -5.01 107.32 112.39 1h3b s GLY 34 Ca 0.11 -0.55 -0.19 0.00 0.00 0.00 0.00 44.72 44.09 1h3b s GLY 34 CO -0.24 -0.44 1.21 -4.14 0.00 0.00 0.00 173.10 169.50 1h3b s PRO 35 N -2.45 2.95 -0.22 2.90 0.02 -1.26 -4.54 135.00 132.41 1h3b s PRO 35 Ca 0.38 1.84 -0.07 0.00 0.02 0.00 0.00 61.00 63.17 1h3b s PRO 35 Cb -0.13 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1h3b s PRO 35 CO 0.23 -1.23 0.07 -1.17 -0.33 0.00 0.00 177.00 174.57 1h3b s LEU 36 N -4.08 3.60 -0.01 -5.54 2.96 -1.26 -3.04 118.68 111.31 1h3b s LEU 36 Ca 0.78 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 1h3b s LEU 36 Cb -0.31 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1h3b s LEU 36 CO 0.33 0.05 0.17 -0.76 -1.32 0.00 0.00 176.35 174.83 1h3b s LEU 37 N 1.09 4.31 0.00 -0.68 2.01 -0.42 -4.46 118.68 120.52 1h3b s LEU 37 Ca 0.04 0.32 0.00 0.00 0.01 0.00 0.00 54.13 54.50 1h3b s LEU 37 Cb -0.14 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.49 1h3b s LEU 37 CO 0.03 0.26 0.00 -1.54 1.01 0.00 0.00 176.35 176.12 1h3b n SER 38 N 0.97 0.00 -3.93 2.29 3.41 -1.26 0.35 113.62 115.45 1h3b n SER 38 Ca -0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1h3b n SER 38 Cb 0.53 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 1.10 -0.07 0.00 4.04 2.20 -1.26 -4.77 114.94 116.18 1h3b s ASN 39 Ca 0.00 -0.82 0.04 0.00 -0.94 0.00 0.00 52.86 51.14 1h3b s ASN 39 Cb 0.00 0.52 0.21 0.00 -2.00 0.00 0.00 41.25 39.97 1h3b s ASN 39 CO 0.00 -1.01 0.90 1.33 -2.94 0.00 0.00 177.10 175.38 1h3b n VAL 40 N -0.30 0.79 0.30 3.54 0.24 -1.26 -2.79 118.33 118.85 1h3b n VAL 40 Ca -0.06 0.20 0.19 0.00 -2.04 0.00 0.00 64.34 62.63 1h3b n VAL 40 Cb 0.63 -1.13 0.87 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.05 0.40 3.34 1.35 -1.97 0.52 112.91 116.60 1h3b h THR 41 Ca 0.00 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.49 1h3b h THR 41 Cb 0.03 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1h3b h THR 41 CO 0.00 0.01 -0.19 0.24 -0.25 0.00 0.00 175.52 175.33 1h3b h MET 42 N 0.00 -0.51 -0.60 4.72 2.86 -1.87 -1.14 114.93 118.38 1h3b h MET 42 Ca -0.00 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1h3b h MET 42 Cb 0.33 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1h3b h MET 42 CO 0.00 -0.20 0.07 0.93 1.06 0.00 0.00 176.91 178.77 1h3b h GLU 43 N -0.95 1.00 -0.33 1.72 3.07 -1.73 -0.84 114.58 116.52 1h3b h GLU 43 Ca -0.05 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1h3b h GLU 43 Cb 0.55 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1h3b h GLU 43 CO 0.09 0.94 0.20 0.00 -1.40 0.00 0.00 179.01 178.84 1h3b h ALA 44 N 1.13 0.43 -0.26 3.43 0.00 -0.94 -1.52 119.26 121.54 1h3b h ALA 44 Ca 0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1h3b h ALA 44 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1h3b h ALA 44 CO 0.02 -0.08 -0.32 0.93 0.00 0.00 0.00 179.25 179.80 1h3b h GLU 45 N 0.43 0.53 -0.67 0.00 5.08 -1.06 -2.53 114.58 116.36 1h3b h GLU 45 Ca 0.12 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1h3b h GLU 45 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1h3b h GLU 45 CO -0.02 0.79 0.39 -0.92 -1.00 0.00 0.00 179.01 178.25 1h3b h TYR 46 N 0.46 0.72 -0.41 4.33 5.03 -0.72 0.65 116.97 127.04 1h3b h TYR 46 Ca 0.05 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1h3b h TYR 46 Cb 0.78 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1h3b h TYR 46 CO 0.03 0.37 0.25 0.28 -1.32 0.00 0.00 178.16 177.77 1h3b h VAL 47 N 0.74 1.12 -0.24 1.81 2.07 -1.04 0.87 116.25 121.58 1h3b h VAL 47 Ca 0.29 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1h3b h VAL 47 Cb 0.13 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1h3b h VAL 47 CO -0.15 0.12 -0.34 -0.07 0.02 0.00 0.00 177.57 177.15 1h3b h LEU 48 N 0.54 0.54 -0.15 2.57 3.38 -0.94 -1.85 115.31 119.40 1h3b h LEU 48 Ca 0.15 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1h3b h LEU 48 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1h3b h LEU 48 CO -0.03 0.84 0.09 0.25 0.09 0.00 0.00 178.44 179.68 1h3b h LEU 49 N 0.44 0.18 -0.87 1.67 5.85 0.86 -0.82 115.31 122.62 1h3b h LEU 49 Ca 0.05 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1h3b h LEU 49 Cb 0.80 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1h3b h LEU 49 CO 0.07 0.17 0.56 0.00 -0.34 0.00 0.00 178.44 178.89 1h3b h HIS 51 N 1.09 0.79 -0.39 0.00 -0.00 -0.86 0.29 115.15 116.07 1h3b h HIS 51 Ca 0.35 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.69 1h3b h HIS 51 Cb 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 1h3b h HIS 51 CO -0.02 0.50 0.08 0.82 -0.00 0.00 0.00 177.93 179.31 1h3b h ILE 52 N 0.85 1.23 -0.01 6.26 2.04 -0.26 -2.56 117.51 125.06 1h3b h ILE 52 Ca 0.23 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1h3b h ILE 52 Cb -0.10 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1h3b h ILE 52 CO -0.05 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.56 1h3b n LEU 53 N -4.56 0.14 -3.77 1.44 4.77 0.15 -4.89 117.00 110.28 1h3b n LEU 53 Ca -0.01 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.65 1h3b n LEU 53 Cb 0.21 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1h3b n LEU 53 CO 0.38 0.03 0.12 -0.67 -1.33 0.00 0.00 177.39 175.92 1h3b n ASP 54 N -0.70 -4.43 -3.24 -1.43 -0.08 -0.27 -4.93 116.55 101.47 1h3b n ASP 54 Ca 0.14 -0.71 -0.24 0.00 -1.51 0.00 0.00 54.79 52.47 1h3b n ASP 54 Cb 0.09 -4.29 -0.07 0.00 2.34 0.00 0.00 41.12 39.19 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 -4.67 1.21 -3.57 -0.67 1.74 -0.07 -5.03 116.66 105.60 1h3b n ARG 55 Ca -0.05 -3.61 -0.37 0.00 -0.77 0.00 0.00 57.85 53.05 1h3b n ARG 55 Cb 0.57 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.66 5.30 -0.48 1.55 1.01 -1.26 -4.78 120.40 120.09 1h3b s VAL 56 Ca 0.37 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 1h3b s VAL 56 Cb 0.18 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 33.09 1h3b s VAL 56 CO -0.09 0.28 0.40 -0.62 0.00 0.00 0.00 175.10 175.08 1h3b s ASP 57 N 1.33 6.07 0.48 3.32 2.15 -1.26 -4.95 116.67 123.82 1h3b s ASP 57 Ca 0.10 -1.47 0.29 0.00 0.43 0.00 0.00 52.55 51.90 1h3b s ASP 57 Cb -0.15 -2.16 1.37 0.00 -0.30 0.00 0.00 42.92 41.69 1h3b s ASP 57 CO 0.07 -0.68 1.78 0.03 -0.17 0.00 0.00 175.17 176.21 1h3b h ARG 58 N 8.73 0.15 -0.33 4.34 2.47 -1.99 0.16 114.38 127.90 1h3b h ARG 58 Ca -0.28 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.30 1h3b h ARG 58 Cb 1.10 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1h3b h ARG 58 CO 0.90 0.10 -0.32 0.22 0.56 0.00 0.00 179.97 181.43 1h3b h ASP 59 N 0.16 0.85 -0.43 7.04 1.82 -2.01 -2.92 116.42 120.93 1h3b h ASP 59 Ca 0.59 -0.46 -0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1h3b h ASP 59 Cb 1.99 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.75 1h3b h ASP 59 CO -0.14 1.14 -0.03 -0.09 -1.61 0.00 0.00 179.24 178.51 1h3b h ARG 60 N 0.58 0.79 -0.80 0.28 9.65 -1.15 -2.75 114.38 120.97 1h3b h ARG 60 Ca 0.05 -0.27 0.14 0.00 -1.10 0.00 0.00 59.98 58.80 1h3b h ARG 60 Cb 0.89 -0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.32 1h3b h ARG 60 CO 0.08 0.87 0.38 0.52 2.80 0.00 0.00 179.97 184.62 1h3b h MET 61 N 0.62 0.55 0.23 0.20 2.86 -1.21 -0.39 114.93 117.79 1h3b h MET 61 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1h3b h MET 61 Cb 0.54 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1h3b h MET 61 CO 0.03 0.36 -0.20 0.93 1.06 0.00 0.00 176.91 179.09 1h3b h GLU 62 N 0.56 -0.43 0.00 1.72 4.39 -1.30 0.22 114.58 119.75 1h3b h GLU 62 Ca 0.43 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1h3b h GLU 62 Cb 0.60 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1h3b h GLU 62 CO -0.36 -0.29 -0.02 0.87 -1.16 0.00 0.00 179.01 178.05 1h3b h LYS 63 N -0.45 0.00 -0.01 2.33 1.57 -1.07 -1.90 116.57 117.04 1h3b h LYS 63 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1h3b h LYS 63 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.74 1h3b h LYS 63 CO -0.03 0.02 -0.80 0.82 -0.57 0.00 0.00 179.45 178.89 1h3b h ILE 64 N 0.00 1.36 -0.62 1.86 2.04 -0.06 -2.12 117.51 119.97 1h3b h ILE 64 Ca -0.00 -2.15 0.02 0.00 1.00 0.00 0.00 64.86 63.73 1h3b h ILE 64 Cb 0.04 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1h3b h ILE 64 CO 0.00 0.64 0.40 -0.09 0.00 0.00 0.00 178.15 179.10 1h3b h ARG 65 N 0.13 0.77 -0.30 2.37 2.43 -0.05 0.15 114.38 119.88 1h3b h ARG 65 Ca -0.10 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1h3b h ARG 65 Cb 1.48 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1h3b h ARG 65 CO 0.16 0.51 0.11 0.00 -1.51 0.00 0.00 179.97 179.24 1h3b h ARG 66 N 0.80 0.24 0.47 0.20 3.08 -1.40 -0.12 114.38 117.66 1h3b h ARG 66 Ca 0.24 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1h3b h ARG 66 Cb -0.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1h3b h ARG 66 CO -0.07 0.16 -0.23 -0.92 -1.07 0.00 0.00 179.97 177.84 1h3b h TYR 67 N 0.25 -0.59 -0.25 3.04 3.20 -1.05 0.13 116.97 121.70 1h3b h TYR 67 Ca 0.13 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1h3b h TYR 67 Cb 0.09 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 1h3b h TYR 67 CO -0.13 -0.36 -0.27 -0.07 -1.64 0.00 0.00 178.16 175.69 1h3b h LEU 68 N -0.65 -0.86 0.02 2.82 3.38 -0.49 -0.76 115.31 118.78 1h3b h LEU 68 Ca -0.06 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1h3b h LEU 68 Cb 0.49 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1h3b h LEU 68 CO 0.11 -0.30 -0.07 -0.07 0.09 0.00 0.00 178.44 178.20 1h3b h LEU 69 N -0.27 -0.18 -1.50 1.67 -0.00 -0.93 -2.25 115.31 111.85 1h3b h LEU 69 Ca 0.14 0.03 0.28 0.00 -0.00 0.00 0.00 57.88 58.32 1h3b h LEU 69 Cb 0.49 0.07 -0.08 0.00 -0.00 0.00 0.00 40.66 41.14 1h3b h LEU 69 CO -0.41 -0.10 0.69 -0.74 -0.00 0.00 0.00 178.44 177.89 1h3b h HIS 70 N -0.12 0.52 0.00 1.13 2.76 -0.07 0.11 115.15 119.47 1h3b h HIS 70 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1h3b h HIS 70 Cb 0.15 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1h3b h HIS 70 CO -0.12 0.05 -0.40 0.93 -1.30 0.00 0.00 177.93 177.08 1h3b h GLU 71 N 0.31 0.00 -7.02 5.26 4.39 -0.59 -3.47 114.58 113.47 1h3b h GLU 71 Ca 0.58 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.76 1h3b h GLU 71 Cb 1.63 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 30.37 1h3b h GLU 71 CO -0.23 0.00 0.53 -1.14 -1.16 0.00 0.00 179.01 177.01 1h3b s GLN 72 N -3.19 3.56 0.45 2.33 0.74 0.02 -4.85 119.66 118.72 1h3b s GLN 72 Ca 0.06 1.94 0.07 0.00 0.05 0.00 0.00 55.36 57.48 1h3b s GLN 72 Cb 0.11 -2.37 0.01 0.00 1.10 0.00 0.00 33.01 31.87 1h3b s GLN 72 CO 0.69 -0.76 0.61 1.03 -0.55 0.00 0.00 175.29 176.31 1h3b s ARG 73 N -2.75 2.77 0.29 1.67 3.00 0.10 -4.93 118.95 119.10 1h3b s ARG 73 Ca 0.66 -1.14 -0.00 0.00 0.00 0.00 0.00 55.73 55.24 1h3b s ARG 73 Cb -0.33 -2.71 0.67 0.00 0.00 0.00 0.00 34.95 32.59 1h3b s ARG 73 CO 0.39 -0.36 1.59 0.93 0.00 0.00 0.00 175.30 177.86 1h3b h GLU 74 N 0.53 0.05 0.00 3.54 4.39 -1.96 1.22 114.58 122.35 1h3b h GLU 74 Ca -0.40 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1h3b h GLU 74 Cb 1.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1h3b h GLU 74 CO 0.47 0.03 0.00 -0.40 -1.16 0.00 0.00 179.01 177.95 1h3b n ASP 75 N -5.43 0.29 0.00 1.42 5.68 -1.26 -4.86 116.55 112.39 1h3b n ASP 75 Ca 0.21 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.07 1h3b n ASP 75 Cb 0.68 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 -0.06 0.72 3.84 6.12 0.00 0.42 -4.43 105.19 111.81 1h3b n GLY 76 Ca 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 1.65 -0.01 2.61 -4.23 -1.25 -3.52 115.64 108.88 1h3b s THR 77 Ca 0.00 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1h3b s THR 77 Cb 0.00 -2.30 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 1h3b s THR 77 CO 0.00 0.00 -0.09 0.26 -0.54 0.00 0.00 174.62 174.25 1h3b s TRP 78 N -2.77 0.88 0.46 3.99 0.51 -1.26 -0.72 118.94 120.02 1h3b s TRP 78 Ca 0.28 -0.18 0.03 0.00 -2.12 0.00 0.00 56.10 54.11 1h3b s TRP 78 Cb -0.00 -0.58 0.03 0.00 -0.81 0.00 0.00 33.47 32.11 1h3b s TRP 78 CO 0.17 -0.04 0.27 0.00 -0.51 0.00 0.00 176.95 176.84 1h3b n ALA 79 N 2.98 0.64 0.01 0.98 0.00 -1.26 -1.40 120.51 122.46 1h3b n ALA 79 Ca -0.15 -1.88 -0.21 0.00 0.00 0.00 0.00 53.44 51.20 1h3b n ALA 79 Cb 0.56 0.83 -0.14 0.00 0.00 0.00 0.00 19.45 20.70 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 0.38 -9.28 0.00 3.38 -1.89 -3.45 115.31 104.45 1h3b h LEU 80 Ca -0.31 -0.87 -0.61 0.00 0.09 0.00 0.00 57.88 56.19 1h3b h LEU 80 Cb 1.07 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1h3b h LEU 80 CO 0.49 1.55 -0.74 -0.72 0.09 0.00 0.00 178.44 179.11 1h3b s TYR 81 N -2.46 2.35 0.07 1.13 1.13 -1.26 -4.51 117.35 113.80 1h3b s TYR 81 Ca -0.19 -0.35 -0.31 0.00 -1.41 0.00 0.00 57.07 54.82 1h3b s TYR 81 Cb 0.03 -1.08 -0.07 0.00 -1.10 0.00 0.00 41.96 39.74 1h3b s TYR 81 CO 0.77 0.69 1.48 -1.25 -2.51 0.00 0.00 175.55 174.72 1h3b s PRO 82 N -3.54 4.27 0.00 -3.49 0.04 -1.26 -2.29 135.00 128.73 1h3b s PRO 82 Ca 0.31 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1h3b s PRO 82 Cb -0.04 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1h3b s PRO 82 CO 0.16 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1h3b n GLY 83 N 3.69 0.55 3.68 0.56 0.00 -1.26 -4.81 105.19 107.60 1h3b n GLY 83 Ca 0.13 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.91 1.89 0.46 -0.02 0.00 -0.97 -5.08 107.32 100.69 1h3b s GLY 84 Ca 0.00 -1.81 -0.24 0.00 0.00 0.00 0.00 44.72 42.67 1h3b s GLY 84 CO 0.00 -1.78 1.27 -1.55 0.00 0.00 0.00 173.10 171.04 1h3b n PRO 85 N -1.03 1.83 -1.71 2.90 -0.04 -1.26 -4.70 135.00 130.99 1h3b n PRO 85 Ca -0.04 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.64 1h3b n PRO 85 Cb 0.61 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 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 -0.25 2.43 -4.01 0.54 -0.04 -1.26 -4.52 135.00 127.89 1h3b n PRO 86 Ca 0.08 0.87 -0.35 0.00 -0.04 0.00 0.00 63.50 64.06 1h3b n PRO 86 Cb 0.41 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.17 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 0.53 5.64 0.03 3.54 -1.08 -0.49 -4.97 116.67 119.86 1h3b s ASP 87 Ca 0.68 0.09 -0.29 0.00 -0.52 0.00 0.00 52.55 52.51 1h3b s ASP 87 Cb -0.57 -1.95 -0.16 0.00 -1.46 0.00 0.00 42.92 38.78 1h3b s ASP 87 CO 0.46 0.19 1.25 0.25 0.52 0.00 0.00 175.17 177.84 1h3b h LEU 88 N 6.60 -0.88 -0.26 -1.34 5.85 -1.92 -2.23 115.31 121.13 1h3b h LEU 88 Ca -0.38 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1h3b h LEU 88 Cb 1.17 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.35 1h3b h LEU 88 CO 0.70 -0.54 -0.48 0.44 -0.34 0.00 0.00 178.44 178.22 1h3b h ASP 89 N -1.21 -1.56 -0.65 1.25 3.32 -1.95 0.19 116.42 115.81 1h3b h ASP 89 Ca -0.11 0.21 0.13 0.00 0.02 0.00 0.00 57.03 57.28 1h3b h ASP 89 Cb 0.80 0.64 -0.09 0.00 0.22 0.00 0.00 39.33 40.90 1h3b h ASP 89 CO 0.17 -0.42 0.16 0.74 -1.72 0.00 0.00 179.24 178.17 1h3b h THR 90 N -0.45 0.62 -0.53 0.35 2.02 -1.88 -1.40 112.91 111.63 1h3b h THR 90 Ca 0.08 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1h3b h THR 90 Cb 0.63 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1h3b h THR 90 CO -0.50 0.05 -0.14 0.74 0.37 0.00 0.00 175.52 176.05 1h3b h THR 91 N 0.28 1.27 0.29 3.16 2.02 -0.66 -1.28 112.91 117.99 1h3b h THR 91 Ca 0.35 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1h3b h THR 91 Cb 0.53 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1h3b h THR 91 CO -0.43 0.46 -0.16 0.40 0.37 0.00 0.00 175.52 176.16 1h3b h ILE 92 N 0.89 0.66 -0.81 3.11 2.04 0.19 0.22 117.51 123.82 1h3b h ILE 92 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1h3b h ILE 92 Cb 0.71 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1h3b h ILE 92 CO 0.05 0.00 0.52 -0.33 0.00 0.00 0.00 178.15 178.40 1h3b h GLU 93 N -0.43 1.00 -0.78 2.37 5.08 -1.28 0.68 114.58 121.23 1h3b h GLU 93 Ca -0.03 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1h3b h GLU 93 Cb 0.34 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1h3b h GLU 93 CO 0.04 0.66 0.30 0.00 -1.00 0.00 0.00 179.01 179.02 1h3b h ALA 94 N 1.32 1.05 -0.10 3.43 0.00 -0.96 -0.00 119.26 124.00 1h3b h ALA 94 Ca 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h3b h ALA 94 Cb -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1h3b h ALA 94 CO -0.10 0.66 0.05 -0.92 0.00 0.00 0.00 179.25 178.95 1h3b h TYR 95 N 1.14 0.13 -0.74 0.00 3.20 0.58 -0.79 116.97 120.50 1h3b h TYR 95 Ca 0.26 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 1h3b h TYR 95 Cb 0.23 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1h3b h TYR 95 CO 0.02 0.15 0.26 0.28 -1.64 0.00 0.00 178.16 177.24 1h3b h VAL 96 N 0.07 1.26 0.39 1.81 2.07 -0.69 -1.40 116.25 119.76 1h3b h VAL 96 Ca 0.03 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1h3b h VAL 96 Cb 0.06 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1h3b h VAL 96 CO -0.01 0.34 -0.29 0.00 0.02 0.00 0.00 177.57 177.63 1h3b h ALA 97 N 1.13 -0.68 -0.63 1.67 0.00 -0.70 -1.45 119.26 118.61 1h3b h ALA 97 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1h3b h ALA 97 Cb 0.26 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1h3b h ALA 97 CO -0.01 -0.90 0.37 -0.07 0.00 0.00 0.00 179.25 178.63 1h3b h LEU 98 N -0.68 0.57 -1.16 0.00 3.38 -1.03 -1.00 115.31 115.39 1h3b h LEU 98 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1h3b h LEU 98 Cb 0.58 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1h3b h LEU 98 CO -0.00 0.38 0.39 0.50 0.09 0.00 0.00 178.44 179.80 1h3b h LYS 99 N 0.70 0.97 0.12 1.13 3.64 -1.07 -2.37 116.57 119.69 1h3b h LYS 99 Ca 0.27 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1h3b h LYS 99 Cb 0.11 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1h3b h LYS 99 CO -0.14 0.71 -0.06 -0.92 -2.27 0.00 0.00 179.45 176.76 1h3b h TYR 100 N 0.98 -0.15 -0.45 1.91 3.20 -0.54 -2.54 116.97 119.37 1h3b h TYR 100 Ca 0.25 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.25 1h3b h TYR 100 Cb 0.01 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1h3b h TYR 100 CO 0.01 0.10 0.51 0.82 -1.64 0.00 0.00 178.16 177.96 1h3b h ILE 101 N -0.39 0.32 0.00 1.81 2.04 -0.89 -3.44 117.51 116.96 1h3b h ILE 101 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1h3b h ILE 101 Cb 0.32 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1h3b h ILE 101 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1h3b n GLY 102 N -1.50 0.88 3.39 5.37 0.00 -0.93 -5.03 105.19 107.38 1h3b n GLY 102 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 3.36 0.34 1.61 -1.94 -0.99 -5.02 119.30 116.65 1h3b s MET 103 Ca 0.00 -0.67 -0.29 0.00 -1.71 0.00 0.00 55.69 53.02 1h3b s MET 103 Cb 0.00 -2.64 -0.11 0.00 2.01 0.00 0.00 34.83 34.09 1h3b s MET 103 CO 0.00 0.24 1.56 0.45 -0.01 0.00 0.00 175.02 177.26 1h3b n SER 104 N 3.44 3.90 0.00 3.03 2.88 -1.26 -4.46 113.62 121.15 1h3b n SER 104 Ca -0.18 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.58 1h3b n SER 104 Cb 0.53 -1.62 0.21 0.00 -0.75 0.00 0.00 64.21 62.58 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 1.36 0.43 -0.12 -1.46 1.85 -1.26 -2.85 116.66 114.62 1h3b n ARG 105 Ca 0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.66 1h3b n ARG 105 Cb 0.38 -1.26 -0.11 0.00 -1.05 0.00 0.00 32.46 30.42 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 -0.76 1.98 -3.92 2.89 8.00 -1.26 -4.22 116.55 119.25 1h3b n ASP 106 Ca 0.05 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 1h3b n ASP 106 Cb 0.02 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 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 -3.79 0.00 -0.20 -1.24 1.02 -1.13 -4.17 120.64 111.13 1h3b n GLU 107 Ca -0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.62 1h3b n GLU 107 Cb 0.93 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 31.39 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 0.91 -0.21 0.03 3.49 4.07 -1.26 -1.19 120.64 126.46 1h3b n GLU 108 Ca 0.16 0.77 -0.10 0.00 -0.06 0.00 0.00 57.16 57.93 1h3b n GLU 108 Cb 0.22 -1.14 -0.04 0.00 -0.06 0.00 0.00 31.44 30.42 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 -0.31 -0.39 5.31 0.11 -1.96 -1.45 132.00 133.30 1h3b h PRO 109 Ca 0.08 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.24 1h3b h PRO 109 Cb 0.20 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1h3b h PRO 109 CO -0.46 -0.21 0.19 0.52 -0.21 0.00 0.00 178.00 177.83 1h3b h MET 110 N -0.33 0.37 0.15 1.05 2.86 -1.45 -2.10 114.93 115.48 1h3b h MET 110 Ca 0.08 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1h3b h MET 110 Cb 0.44 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1h3b h MET 110 CO -0.26 0.25 -0.16 1.96 1.06 0.00 0.00 176.91 179.75 1h3b h GLN 111 N 0.38 -0.33 -0.63 1.72 1.08 -0.96 0.19 115.11 116.56 1h3b h GLN 111 Ca 0.17 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.43 1h3b h GLN 111 Cb 0.09 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 1h3b h GLN 111 CO -0.13 -0.22 0.37 0.87 -0.95 0.00 0.00 178.83 178.78 1h3b h LYS 112 N -0.34 0.70 -0.14 1.46 1.57 -1.17 -1.28 116.57 117.37 1h3b h LYS 112 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1h3b h LYS 112 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1h3b h LYS 112 CO -0.05 0.46 0.03 0.00 -0.57 0.00 0.00 179.45 179.32 1h3b h ALA 113 N 1.30 0.18 -0.70 3.86 0.00 -1.17 -2.77 119.26 119.95 1h3b h ALA 113 Ca 0.27 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1h3b h ALA 113 Cb 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1h3b h ALA 113 CO -0.13 -0.17 0.36 1.25 0.00 0.00 0.00 179.25 180.55 1h3b h LEU 114 N 0.02 0.47 -0.58 0.00 6.46 -0.31 0.61 115.31 121.98 1h3b h LEU 114 Ca 0.04 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1h3b h LEU 114 Cb 0.27 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1h3b h LEU 114 CO 0.00 0.28 0.36 -0.09 -0.62 0.00 0.00 178.44 178.37 1h3b h ARG 115 N 0.61 0.78 -0.84 1.25 2.43 -1.12 -0.59 114.38 116.91 1h3b h ARG 115 Ca 0.34 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1h3b h ARG 115 Cb 0.34 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1h3b h ARG 115 CO -0.25 0.55 0.46 0.35 -1.51 0.00 0.00 179.97 179.57 1h3b h PHE 116 N 0.79 1.14 -0.88 2.20 3.57 -0.89 0.79 116.94 123.66 1h3b h PHE 116 Ca 0.21 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1h3b h PHE 116 Cb -0.04 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.29 1h3b h PHE 116 CO -0.03 0.79 0.58 0.82 -2.23 0.00 0.00 178.31 178.25 1h3b h ILE 117 N 1.16 1.23 -0.17 1.41 1.08 -0.27 -2.91 117.51 119.04 1h3b h ILE 117 Ca 0.30 -0.42 -0.11 0.00 -0.39 0.00 0.00 64.86 64.24 1h3b h ILE 117 Cb 0.02 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.70 1h3b h ILE 117 CO -0.05 0.22 -0.33 1.56 -0.69 0.00 0.00 178.15 178.86 1h3b h GLN 118 N 1.19 0.53 0.00 2.37 4.20 -0.55 -1.15 115.11 121.70 1h3b h GLN 118 Ca 0.32 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1h3b h GLN 118 Cb -0.13 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1h3b h GLN 118 CO -0.07 0.95 0.00 -1.13 -0.67 0.00 0.00 178.83 177.91 1h3b n SER 119 N -4.33 0.00 -0.07 1.46 3.41 0.22 -0.94 113.62 113.36 1h3b n SER 119 Ca -0.06 -0.09 0.02 0.00 -0.26 0.00 0.00 58.87 58.47 1h3b n SER 119 Cb 0.49 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.87 2.69 0.00 4.33 1.13 -1.13 -4.97 117.38 118.56 1h3b n GLN 120 Ca 0.01 -0.36 0.00 0.00 -1.94 0.00 0.00 57.00 54.71 1h3b n GLN 120 Cb 0.01 -0.86 0.00 0.00 0.11 0.00 0.00 30.24 29.49 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 0.64 1.05 7.00 1.08 0.00 -0.12 -4.39 105.19 110.45 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 -1.82 0.88 0.33 -0.02 0.00 -0.45 -3.50 105.19 100.61 1h3b n GLY 122 Ca 0.00 -0.78 0.27 0.00 0.00 0.00 0.00 46.02 45.51 1h3b n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h3b h ILE 123 N 0.00 0.02 0.00 -0.61 6.09 -1.45 -0.19 117.51 121.38 1h3b h ILE 123 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1h3b h ILE 123 Cb 0.00 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.29 1h3b h ILE 123 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 1h3b n GLU 124 N -5.30 0.01 -0.09 2.19 -0.58 -1.23 -1.99 120.64 113.65 1h3b n GLU 124 Ca 0.34 0.39 0.10 0.00 -0.42 0.00 0.00 57.16 57.57 1h3b n GLU 124 Cb 1.14 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 30.65 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 -1.46 2.99 -4.88 1.62 7.64 -0.08 -4.52 113.62 114.93 1h3b n SER 125 Ca 0.01 -1.89 -0.30 0.00 1.01 0.00 0.00 58.87 57.70 1h3b n SER 125 Cb 0.05 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.51 6.52 1.03 6.43 1.04 -0.84 -4.57 113.70 121.81 1h3b s SER 126 Ca 0.29 1.09 -0.15 0.00 0.48 0.00 0.00 55.95 57.66 1h3b s SER 126 Cb 0.18 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 64.09 1h3b s SER 126 CO 0.27 -0.36 0.29 -2.11 0.98 0.00 0.00 173.24 172.31 1h3b n ARG 127 N -1.20 -0.98 -0.08 4.02 1.85 -1.26 -4.76 116.66 114.25 1h3b n ARG 127 Ca 0.02 -0.25 -0.07 0.00 -1.00 0.00 0.00 57.85 56.54 1h3b n ARG 127 Cb 0.54 -1.83 -0.00 0.00 -1.05 0.00 0.00 32.46 30.12 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 -1.86 0.85 -0.41 8.89 2.07 -1.91 -2.96 116.25 120.92 1h3b h VAL 128 Ca -0.49 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1h3b h VAL 128 Cb 1.32 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1h3b h VAL 128 CO 0.37 0.03 -0.03 -0.26 0.02 0.00 0.00 177.57 177.70 1h3b h PHE 129 N 0.15 -0.08 -0.93 1.57 0.04 -1.90 0.13 116.94 115.92 1h3b h PHE 129 Ca 0.14 0.03 0.07 0.00 2.80 0.00 0.00 57.97 61.01 1h3b h PHE 129 Cb 0.15 0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 1h3b h PHE 129 CO -0.18 -0.11 0.61 1.15 -0.60 0.00 0.00 178.31 179.18 1h3b h THR 130 N 0.08 1.06 -0.02 -1.55 2.02 -1.87 0.28 112.91 112.90 1h3b h THR 130 Ca 0.20 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.84 1h3b h THR 130 Cb 0.29 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1h3b h THR 130 CO -0.36 0.19 -0.80 0.03 0.37 0.00 0.00 175.52 174.96 1h3b h ARG 131 N 1.05 0.20 -0.38 6.66 3.08 -1.24 -2.38 114.38 121.38 1h3b h ARG 131 Ca 0.41 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1h3b h ARG 131 Cb 0.22 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1h3b h ARG 131 CO -0.16 0.90 -0.20 1.98 -1.07 0.00 0.00 179.97 181.42 1h3b h MET 132 N 0.13 0.81 -0.28 0.04 4.05 0.67 0.30 114.93 120.65 1h3b h MET 132 Ca -0.03 -0.36 -0.02 0.00 -0.28 0.00 0.00 59.70 59.01 1h3b h MET 132 Cb 1.39 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1h3b h MET 132 CO 0.12 0.99 0.11 -1.49 0.23 0.00 0.00 176.91 176.87 1h3b h TRP 133 N 0.61 0.43 0.00 1.39 4.06 -0.53 -0.41 115.95 121.50 1h3b h TRP 133 Ca 0.08 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 1h3b h TRP 133 Cb 0.75 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1h3b h TRP 133 CO 0.06 0.43 -0.14 -0.07 -3.56 0.00 0.00 178.44 175.15 1h3b h LEU 134 N 0.31 0.00 -0.41 -4.49 3.38 -1.29 -1.56 115.31 111.25 1h3b h LEU 134 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1h3b h LEU 134 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1h3b h LEU 134 CO -0.01 0.14 0.08 0.00 0.09 0.00 0.00 178.44 178.75 1h3b h ALA 135 N 1.86 0.54 -0.62 1.53 0.00 0.65 0.16 119.26 123.38 1h3b h ALA 135 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1h3b h ALA 135 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1h3b h ALA 135 CO 0.02 0.24 0.41 -0.07 0.00 0.00 0.00 179.25 179.85 1h3b h LEU 136 N 0.52 0.50 -2.39 0.00 3.38 -0.07 -0.61 115.31 116.65 1h3b h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h3b h LEU 136 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1h3b h LEU 136 CO 0.01 0.32 0.00 1.33 0.09 0.00 0.00 178.44 180.19 1h3b n VAL 137 N -4.48 0.85 -1.65 1.22 0.24 -1.12 0.49 118.33 113.88 1h3b n VAL 137 Ca 0.09 -0.86 -0.05 0.00 -2.04 0.00 0.00 64.34 61.48 1h3b n VAL 137 Cb 0.27 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 33.08 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 1.54 0.44 1.51 7.63 0.00 -0.24 -3.16 105.19 112.91 1h3b n GLY 138 Ca 0.22 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.12 3.34 -3.65 1.61 -0.58 0.52 -4.92 120.64 114.86 1h3b n GLU 139 Ca -0.05 -3.04 -0.01 0.00 -0.42 0.00 0.00 57.16 53.64 1h3b n GLU 139 Cb 0.37 -2.05 -0.06 0.00 -0.57 0.00 0.00 31.44 29.13 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 -2.96 -0.32 0.05 -0.32 6.14 -1.23 -4.82 117.35 113.90 1h3b s TYR 140 Ca 0.49 0.65 -0.35 0.00 0.64 0.00 0.00 57.07 58.50 1h3b s TYR 140 Cb 0.40 0.24 -0.14 0.00 0.42 0.00 0.00 41.96 42.88 1h3b s TYR 140 CO 0.10 -0.16 1.63 -0.35 0.64 0.00 0.00 175.55 177.41 1h3b n PRO 141 N 3.14 1.89 0.05 4.97 -0.04 -1.26 -4.28 135.00 139.48 1h3b n PRO 141 Ca -0.17 0.69 0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1h3b n PRO 141 Cb 0.57 -2.45 0.39 0.00 -0.04 0.00 0.00 33.50 31.97 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 6.62 0.41 0.00 0.54 4.06 -1.96 -2.69 115.95 122.93 1h3b h TRP 142 Ca -0.46 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1h3b h TRP 142 Cb 1.28 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 1h3b h TRP 142 CO 0.70 0.38 0.00 -0.85 -3.56 0.00 0.00 178.44 175.11 1h3b n GLU 143 N -4.36 0.11 -0.28 0.49 0.00 -1.26 -1.84 120.64 113.50 1h3b n GLU 143 Ca 0.01 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.49 1h3b n GLU 143 Cb 0.18 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.40 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 -1.38 2.56 -4.01 3.44 5.02 -1.01 -4.89 118.16 117.89 1h3b n LYS 144 Ca 0.05 -2.39 -0.34 0.00 -2.02 0.00 0.00 58.31 53.60 1h3b n LYS 144 Cb 0.13 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.28 4.76 0.33 -0.18 1.01 -0.77 -5.06 120.40 119.21 1h3b s VAL 145 Ca 0.43 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 1h3b s VAL 145 Cb 0.24 -3.14 -0.13 0.00 0.00 0.00 0.00 36.38 33.34 1h3b s VAL 145 CO 0.32 0.46 0.94 -2.65 0.00 0.00 0.00 175.10 174.17 1h3b n PRO 146 N 3.54 1.22 -3.86 2.72 -0.02 -1.26 -4.94 135.00 132.40 1h3b n PRO 146 Ca -0.17 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 1h3b n PRO 146 Cb 0.52 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.64 3.47 -0.20 -0.52 1.75 -1.26 -4.85 119.30 116.06 1h3b s MET 147 Ca 0.60 -0.22 -0.04 0.00 -1.25 0.00 0.00 55.69 54.79 1h3b s MET 147 Cb -0.67 -3.12 0.06 0.00 2.84 0.00 0.00 34.83 33.95 1h3b s MET 147 CO 0.59 0.69 0.06 0.08 -0.65 0.00 0.00 175.02 175.80 1h3b s VAL 148 N -1.25 0.28 0.22 10.11 1.01 -1.26 -4.85 120.40 124.66 1h3b s VAL 148 Ca 0.24 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1h3b s VAL 148 Cb -0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 1h3b s VAL 148 CO 0.15 -0.29 0.79 -2.16 0.00 0.00 0.00 175.10 173.59 1h3b s PRO 149 N 1.97 4.45 0.63 2.72 0.04 -1.26 -4.26 135.00 139.28 1h3b s PRO 149 Ca 0.01 1.09 0.36 0.00 0.04 0.00 0.00 61.00 62.50 1h3b s PRO 149 Cb -0.17 -3.02 2.08 0.00 0.04 0.00 0.00 34.50 33.44 1h3b s PRO 149 CO -0.11 0.44 2.30 -1.00 0.04 0.00 0.00 177.00 178.67 1h3b h PRO 150 N 3.73 0.00 -0.02 0.56 0.13 -1.92 -0.63 132.00 133.85 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 0.04 0.93 -0.23 0.00 0.00 178.00 179.39 1h3b h GLU 151 N 0.00 0.00 -0.36 0.86 3.07 -1.92 -0.11 114.58 116.12 1h3b h GLU 151 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1h3b h GLU 151 Cb 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1h3b h GLU 151 CO -0.00 0.00 0.51 0.97 -1.40 0.00 0.00 179.01 179.09 1h3b h ILE 152 N 0.00 0.23 0.00 3.13 2.10 -1.50 0.47 117.51 121.95 1h3b h ILE 152 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.95 1h3b h ILE 152 Cb 0.09 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 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 -3.43 0.01 0.07 2.19 2.81 -0.06 -2.51 117.12 116.20 1h3b n MET 153 Ca 0.06 0.38 0.05 0.00 -1.81 0.00 0.00 57.70 56.38 1h3b n MET 153 Cb 0.66 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.60 1h3b n MET 153 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1h3b h PHE 154 N 0.00 0.00 -2.06 2.03 0.04 -0.27 -3.47 116.94 113.22 1h3b h PHE 154 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1h3b h PHE 154 Cb 0.13 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.31 1h3b h PHE 154 CO 0.00 0.35 1.06 1.28 -0.60 0.00 0.00 178.31 180.40 1h3b n LEU 155 N -2.82 3.40 -4.73 1.54 4.77 -1.04 -4.94 117.00 113.18 1h3b n LEU 155 Ca -0.05 0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 1h3b n LEU 155 Cb 0.72 -1.38 0.13 0.00 -2.33 0.00 0.00 43.42 40.57 1h3b n LEU 155 CO 0.42 -0.08 0.67 -0.83 -1.33 0.00 0.00 177.39 176.24 1h3b s GLY 156 N 3.69 1.61 0.31 -0.72 0.00 -1.26 -4.71 107.32 106.25 1h3b s GLY 156 Ca 0.91 -0.12 0.12 0.00 0.00 0.00 0.00 44.72 45.64 1h3b s GLY 156 CO 0.50 0.37 1.42 0.28 0.00 0.00 0.00 173.10 175.68 1h3b n LYS 157 N -3.83 -0.06 -3.55 2.90 5.02 -1.26 -2.64 118.16 114.74 1h3b n LYS 157 Ca 0.07 1.29 -0.34 0.00 -2.02 0.00 0.00 58.31 57.30 1h3b n LYS 157 Cb 0.56 -2.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 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 -5.15 2.75 -3.67 1.97 0.00 -1.26 -4.93 116.66 106.38 1h3b n ARG 158 Ca 0.29 -4.53 -0.12 0.00 -0.00 0.00 0.00 57.85 53.50 1h3b n ARG 158 Cb 0.99 -2.38 -0.08 0.00 -0.00 0.00 0.00 32.46 30.98 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 -1.78 0.66 0.03 2.89 -1.94 -1.08 -5.11 119.30 112.97 1h3b s MET 159 Ca 0.30 0.92 -0.37 0.00 -1.71 0.00 0.00 55.69 54.83 1h3b s MET 159 Cb -0.01 0.25 -0.16 0.00 2.01 0.00 0.00 34.83 36.92 1h3b s MET 159 CO -0.08 -0.11 1.42 -0.35 -0.01 0.00 0.00 175.02 175.89 1h3b n PRO 160 N 3.30 1.23 -1.11 2.03 -0.04 -1.26 -1.87 135.00 137.28 1h3b n PRO 160 Ca -0.16 0.45 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 1h3b n PRO 160 Cb 0.56 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 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 3.07 -0.17 -4.78 1.53 4.77 -1.26 -5.03 117.00 115.13 1h3b n LEU 161 Ca 0.20 0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.91 1h3b n LEU 161 Cb 0.19 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1h3b n LEU 161 CO 0.65 -0.30 0.75 0.54 -1.33 0.00 0.00 177.39 177.71 1h3b s ASN 162 N -2.59 6.33 0.54 -1.43 2.20 -0.78 -4.86 114.94 114.34 1h3b s ASN 162 Ca 0.00 2.06 0.14 0.00 -0.94 0.00 0.00 52.86 54.12 1h3b s ASN 162 Cb 0.00 -2.58 0.74 0.00 -2.00 0.00 0.00 41.25 37.41 1h3b s ASN 162 CO 0.00 -0.80 1.36 0.16 -2.94 0.00 0.00 177.10 174.88 1h3b h ILE 163 N 1.72 0.00 -0.33 0.54 3.07 -1.84 0.15 117.51 120.82 1h3b h ILE 163 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1h3b h ILE 163 Cb 1.23 0.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1h3b h ILE 163 CO 0.60 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.48 1h3b n TYR 164 N -2.43 0.44 0.95 0.16 4.01 -1.26 -3.28 117.16 115.75 1h3b n TYR 164 Ca -0.01 -0.22 0.10 0.00 -0.16 0.00 0.00 57.90 57.61 1h3b n TYR 164 Cb 0.59 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 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 0.55 0.67 -3.33 -0.72 1.02 0.51 -4.92 120.64 114.42 1h3b n GLU 165 Ca 0.14 -0.32 -0.27 0.00 -0.02 0.00 0.00 57.16 56.68 1h3b n GLU 165 Cb 0.33 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.72 3.49 0.64 -0.32 0.40 -1.20 -4.67 117.98 113.59 1h3b s PHE 166 Ca 0.11 0.56 -0.16 0.00 -0.60 0.00 0.00 56.93 56.84 1h3b s PHE 166 Cb 0.16 -2.05 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1h3b s PHE 166 CO 0.73 0.15 1.12 0.20 0.70 0.00 0.00 175.22 178.12 1h3b s GLY 167 N -3.42 2.25 0.29 4.36 0.00 0.94 -4.66 107.32 107.07 1h3b s GLY 167 Ca 0.43 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1h3b s GLY 167 CO 0.32 0.97 1.64 1.48 0.00 0.00 0.00 173.10 177.52 1h3b h SER 168 N 0.23 -0.03 -0.45 1.64 4.64 -1.94 0.15 113.55 117.79 1h3b h SER 168 Ca -0.47 0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1h3b h SER 168 Cb 1.25 0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1h3b h SER 168 CO 0.54 -0.16 -0.03 4.11 -0.87 0.00 0.00 176.83 180.43 1h3b h TRP 169 N 0.20 0.94 0.11 4.77 0.09 -1.95 -3.14 115.95 116.97 1h3b h TRP 169 Ca 0.54 -0.15 -0.26 0.00 0.09 0.00 0.00 58.89 59.11 1h3b h TRP 169 Cb 1.09 -0.25 0.00 0.00 0.08 0.00 0.00 29.16 30.07 1h3b h TRP 169 CO -0.28 0.87 -1.20 0.00 0.09 0.00 0.00 178.44 177.92 1h3b h ALA 170 N 1.16 0.13 -0.10 0.11 0.00 -1.41 -3.31 119.26 115.84 1h3b h ALA 170 Ca 0.15 -0.88 0.03 0.00 0.00 0.00 0.00 54.91 54.21 1h3b h ALA 170 Cb 0.52 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1h3b h ALA 170 CO 0.03 1.00 -0.52 -0.09 0.00 0.00 0.00 179.25 179.67 1h3b h ARG 171 N 0.07 -0.57 -0.92 0.00 2.43 -0.73 0.18 114.38 114.83 1h3b h ARG 171 Ca -0.12 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1h3b h ARG 171 Cb 1.94 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 31.56 1h3b h ARG 171 CO 0.19 -0.38 0.60 0.00 -1.51 0.00 0.00 179.97 178.88 1h3b h ALA 172 N -0.24 1.21 -0.61 2.80 0.00 -1.71 -1.76 119.26 118.95 1h3b h ALA 172 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1h3b h ALA 172 Cb 0.68 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1h3b h ALA 172 CO -0.41 0.48 0.21 1.15 0.00 0.00 0.00 179.25 180.67 1h3b h THR 173 N 1.17 1.24 -0.15 0.00 2.02 -1.48 -1.80 112.91 113.91 1h3b h THR 173 Ca 0.36 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1h3b h THR 173 Cb -0.02 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1h3b h THR 173 CO -0.11 0.31 0.09 0.58 0.37 0.00 0.00 175.52 176.76 1h3b h VAL 174 N 0.87 1.06 0.43 3.16 2.07 -0.11 -0.19 116.25 123.54 1h3b h VAL 174 Ca 0.20 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1h3b h VAL 174 Cb 0.27 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1h3b h VAL 174 CO -0.01 0.06 -0.24 0.58 0.02 0.00 0.00 177.57 177.98 1h3b h VAL 175 N 0.17 0.51 -0.83 2.57 2.07 -1.20 0.72 116.25 120.27 1h3b h VAL 175 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1h3b h VAL 175 Cb 0.02 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 1h3b h VAL 175 CO -0.01 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.04 1h3b h ALA 176 N -0.07 1.19 -0.47 1.67 0.00 -1.26 -2.46 119.26 117.86 1h3b h ALA 176 Ca -0.05 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1h3b h ALA 176 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1h3b h ALA 176 CO 0.07 0.05 -0.03 -0.07 0.00 0.00 0.00 179.25 179.27 1h3b h LEU 177 N 0.74 0.84 -1.51 0.00 3.38 -0.61 -2.94 115.31 115.21 1h3b h LEU 177 Ca 0.41 -0.32 0.22 0.00 0.09 0.00 0.00 57.88 58.28 1h3b h LEU 177 Cb 0.43 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1h3b h LEU 177 CO -0.27 0.96 0.62 0.77 0.09 0.00 0.00 178.44 180.61 1h3b h SER 178 N 0.70 0.39 -0.13 -0.43 4.64 -0.37 0.47 113.55 118.81 1h3b h SER 178 Ca 0.13 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1h3b h SER 178 Cb 0.54 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1h3b h SER 178 CO 0.03 0.13 -0.04 0.40 -0.87 0.00 0.00 176.83 176.48 1h3b h ILE 179 N 0.38 1.30 -0.12 0.95 1.08 -1.50 -1.73 117.51 117.87 1h3b h ILE 179 Ca 0.50 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1h3b h ILE 179 Cb 1.30 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.75 1h3b h ILE 179 CO -0.19 0.30 0.05 0.58 -0.69 0.00 0.00 178.15 178.20 1h3b h VAL 180 N -0.06 1.13 0.00 1.67 2.07 -0.54 -2.39 116.25 118.13 1h3b h VAL 180 Ca 0.03 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1h3b h VAL 180 Cb 0.48 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1h3b h VAL 180 CO 0.02 0.12 0.00 0.23 0.02 0.00 0.00 177.57 177.95 1h3b n MET 181 N -4.92 0.19 0.04 1.57 2.81 0.13 0.10 117.12 117.04 1h3b n MET 181 Ca -0.05 0.40 -0.20 0.00 -1.81 0.00 0.00 57.70 56.04 1h3b n MET 181 Cb 0.10 -1.86 -0.11 0.00 -0.71 0.00 0.00 33.22 30.65 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 0.86 0.78 7.83 0.87 -0.81 -3.30 113.55 119.78 1h3b h SER 182 Ca 0.00 -0.74 -0.05 0.00 -1.23 0.00 0.00 61.79 59.77 1h3b h SER 182 Cb 0.39 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1h3b h SER 182 CO 0.00 1.49 -1.26 0.54 -0.53 0.00 0.00 176.83 177.08 1h3b n ARG 183 N -3.91 0.62 -3.78 2.24 5.12 -0.98 -5.00 116.66 110.97 1h3b n ARG 183 Ca -0.11 0.10 -0.24 0.00 -1.93 0.00 0.00 57.85 55.67 1h3b n ARG 183 Cb 0.86 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.68 -1.50 -2.43 5.56 6.02 0.12 -4.93 117.38 117.54 1h3b n GLN 184 Ca -0.04 0.76 -0.29 0.00 -0.01 0.00 0.00 57.00 57.42 1h3b n GLN 184 Cb 0.63 -2.39 -0.01 0.00 1.02 0.00 0.00 30.24 29.50 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 -4.96 3.64 -0.06 -1.09 0.04 -1.26 -5.09 135.00 126.22 1h3b s PRO 185 Ca 0.01 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 1h3b s PRO 185 Cb -0.01 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1h3b s PRO 185 CO 0.89 -0.29 -0.01 0.08 0.04 0.00 0.00 177.00 177.72 1h3b s VAL 186 N -2.79 0.38 -0.68 -0.36 1.01 -1.26 -4.55 120.40 112.15 1h3b s VAL 186 Ca 0.51 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1h3b s VAL 186 Cb -0.10 -0.50 0.17 0.00 0.00 0.00 0.00 36.38 35.94 1h3b s VAL 186 CO 0.44 0.24 0.50 -0.36 0.00 0.00 0.00 175.10 175.91 1h3b s PHE 187 N 1.60 3.50 0.24 5.22 0.08 0.18 -4.96 117.98 123.85 1h3b s PHE 187 Ca -0.01 -3.00 -0.28 0.00 0.12 0.00 0.00 56.93 53.76 1h3b s PHE 187 Cb -0.13 -3.04 -0.15 0.00 -0.57 0.00 0.00 43.02 39.12 1h3b s PHE 187 CO -0.04 -0.74 0.78 -2.30 -0.10 0.00 0.00 175.22 172.82 1h3b n PRO 188 N 2.85 0.70 -3.36 0.24 -0.02 -1.26 -4.20 135.00 129.95 1h3b n PRO 188 Ca 0.13 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1h3b n PRO 188 Cb 0.36 -1.44 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.67 4.13 0.79 2.45 1.43 -1.19 -5.02 118.68 122.95 1h3b s LEU 189 Ca 0.61 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 1h3b s LEU 189 Cb -0.81 -3.71 0.07 0.00 0.03 0.00 0.00 46.19 41.77 1h3b s LEU 189 CO 0.58 -0.11 1.17 -2.16 0.23 0.00 0.00 176.35 176.06 1h3b s PRO 190 N -2.95 1.83 0.20 1.29 0.04 -1.26 -4.79 135.00 129.36 1h3b s PRO 190 Ca 0.48 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1h3b s PRO 190 Cb -0.11 -1.81 0.25 0.00 0.04 0.00 0.00 34.50 32.87 1h3b s PRO 190 CO 0.22 -2.03 1.72 0.93 0.04 0.00 0.00 177.00 177.88 1h3b h GLU 191 N -0.89 0.29 0.00 4.56 5.08 -1.98 -2.16 114.58 119.48 1h3b h GLU 191 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1h3b h GLU 191 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1h3b h GLU 191 CO 0.48 0.19 0.44 0.07 -1.00 0.00 0.00 179.01 179.18 1h3b h ARG 192 N 0.29 0.00 -0.00 2.33 0.11 -1.99 -1.79 114.38 113.34 1h3b h ARG 192 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1h3b h ARG 192 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1h3b h ARG 192 CO -0.35 0.00 -0.02 0.00 0.10 0.00 0.00 179.97 179.71 1h3b n ALA 193 N -1.64 2.40 -1.71 0.08 0.00 -0.82 -4.95 120.51 113.88 1h3b n ALA 193 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1h3b n ALA 193 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.24 2.21 -3.05 0.00 1.74 -0.67 -4.74 116.66 111.90 1h3b n ARG 194 Ca 0.01 0.78 -0.28 0.00 -0.77 0.00 0.00 57.85 57.59 1h3b n ARG 194 Cb 0.03 -2.38 -0.05 0.00 -1.02 0.00 0.00 32.46 29.04 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 0.41 3.02 0.24 1.55 0.24 -1.26 -4.85 118.33 117.68 1h3b n VAL 195 Ca 0.04 -5.51 0.07 0.00 -2.04 0.00 0.00 64.34 56.90 1h3b n VAL 195 Cb 0.36 -1.59 0.60 0.00 -1.47 0.00 0.00 33.84 31.74 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 3.34 0.04 0.00 7.34 0.13 -1.96 -2.71 132.00 138.18 1h3b h PRO 196 Ca 0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1h3b h PRO 196 Cb 0.54 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1h3b h PRO 196 CO 0.84 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.82 1h3b n GLU 197 N -4.49 0.00 0.00 0.86 0.00 -1.26 -0.50 120.64 115.25 1h3b n GLU 197 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.25 1h3b n GLU 197 Cb 0.12 -1.20 0.10 0.00 0.00 0.00 0.00 31.44 30.46 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 -0.62 0.89 -0.08 -1.84 4.77 -1.02 -3.97 117.00 115.12 1h3b n LEU 198 Ca 0.00 -0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 1h3b n LEU 198 Cb 0.00 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 1h3b n LEU 198 CO 0.00 0.20 -1.05 -1.22 -1.33 0.00 0.00 177.39 173.99 1h3b n TYR 199 N -1.28 0.13 -1.65 -1.77 4.01 0.35 -1.23 117.16 115.72 1h3b n TYR 199 Ca 0.06 0.05 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1h3b n TYR 199 Cb 0.35 -1.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.27 1h3b n TYR 199 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1h3b s GLU 200 N -2.56 1.30 -0.01 -0.72 2.02 -1.24 -4.81 118.70 112.67 1h3b s GLU 200 Ca -0.09 -0.45 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 1h3b s GLU 200 Cb 0.07 -4.99 0.05 0.00 0.10 0.00 0.00 34.13 29.35 1h3b s GLU 200 CO 0.83 -5.35 0.48 0.99 0.02 0.00 0.00 175.26 172.24 1h3b s THR 201 N 16.48 0.03 -0.21 3.63 2.01 -1.26 -4.90 115.64 131.41 1h3b s THR 201 Ca 0.81 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.59 1h3b s THR 201 Cb -0.05 -0.85 -0.21 0.00 0.01 0.00 0.00 72.50 71.40 1h3b s THR 201 CO 0.17 -0.15 -0.02 -0.90 -0.69 0.00 0.00 174.62 173.03 1h3b n ASP 202 N 0.90 1.44 -4.48 3.53 5.75 -1.26 -4.96 116.55 117.47 1h3b n ASP 202 Ca -0.20 -0.02 -0.49 0.00 -0.01 0.00 0.00 54.79 54.07 1h3b n ASP 202 Cb 0.58 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 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 -3.15 1.51 -2.40 2.12 0.31 -1.26 -4.86 118.33 110.60 1h3b n VAL 203 Ca -0.39 -0.38 -0.39 0.00 -0.01 0.00 0.00 64.34 63.17 1h3b n VAL 203 Cb 1.04 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 33.60 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 -0.85 4.41 0.05 5.55 0.04 -1.26 -4.48 135.00 138.46 1h3b s PRO 204 Ca 0.69 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 1h3b s PRO 204 Cb -0.92 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 30.56 1h3b s PRO 204 CO 0.56 -0.01 1.86 -1.25 0.04 0.00 0.00 177.00 178.20 1h3b s PRO 205 N -1.83 4.15 -1.07 0.56 0.04 -1.26 -4.61 135.00 130.98 1h3b s PRO 205 Ca 0.50 2.52 -0.05 0.00 0.04 0.00 0.00 61.00 64.01 1h3b s PRO 205 Cb -0.31 -3.93 0.29 0.00 0.04 0.00 0.00 34.50 30.58 1h3b s PRO 205 CO 0.40 -0.89 1.28 2.89 0.04 0.00 0.00 177.00 180.72 1h3b n ARG 206 N 6.81 3.96 -2.18 4.56 1.85 -1.26 -4.98 116.66 125.42 1h3b n ARG 206 Ca 0.19 -4.52 -0.41 0.00 -1.00 0.00 0.00 57.85 52.10 1h3b n ARG 206 Cb 0.40 -2.51 -0.03 0.00 -1.05 0.00 0.00 32.46 29.28 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 -2.14 4.37 0.01 2.89 3.52 -1.26 -4.80 118.95 121.54 1h3b s ARG 207 Ca 0.31 2.11 -0.25 0.00 -0.13 0.00 0.00 55.73 57.77 1h3b s ARG 207 Cb -0.01 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 30.17 1h3b s ARG 207 CO 0.02 -0.25 0.78 0.50 -0.81 0.00 0.00 175.30 175.54 1h3b s ARG 208 N -0.44 4.50 0.60 5.12 3.52 -1.26 -5.07 118.95 125.92 1h3b s ARG 208 Ca 0.56 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 57.27 1h3b s ARG 208 Cb -0.38 -3.40 0.08 0.00 -1.56 0.00 0.00 34.95 29.69 1h3b s ARG 208 CO 0.41 0.18 0.83 0.20 -0.81 0.00 0.00 175.30 176.12 1h3b s GLY 209 N 0.30 1.79 0.69 8.12 0.00 -1.26 -4.98 107.32 111.97 1h3b s GLY 209 Ca 0.40 -1.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 1h3b s GLY 209 CO 0.23 -1.32 0.66 0.00 0.00 0.00 0.00 173.10 172.68 1h3b n ALA 210 N -2.43 -1.01 -0.02 3.20 0.00 -1.26 -4.68 120.51 114.31 1h3b n ALA 210 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1h3b n ALA 210 Cb 0.60 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.89 0.00 -1.02 0.00 4.76 -0.91 -2.33 118.16 117.76 1h3b n LYS 211 Ca 0.11 0.95 -0.22 0.00 -2.87 0.00 0.00 58.31 56.28 1h3b n LYS 211 Cb 0.49 -1.43 0.11 0.00 -1.84 0.00 0.00 35.03 32.37 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 -1.00 4.36 0.00 0.72 0.00 -0.37 -5.01 105.19 103.89 1h3b n GLY 212 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.64 -0.93 3.30 -0.02 0.00 -0.99 -4.92 105.19 100.99 1h3b n GLY 213 Ca 0.48 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.83 1.66 0.32 -0.02 0.00 -1.26 -4.56 107.32 101.63 1h3b s GLY 214 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 44.72 43.12 1h3b s GLY 214 CO 0.00 0.51 1.25 -0.32 0.00 0.00 0.00 173.10 174.54 1h3b s GLY 215 N 1.45 3.01 0.22 0.20 0.00 -1.26 -4.84 107.32 106.10 1h3b s GLY 215 Ca 0.04 1.16 0.11 0.00 0.00 0.00 0.00 44.72 46.02 1h3b s GLY 215 CO -0.02 1.81 1.23 -2.67 0.00 0.00 0.00 173.10 173.45 1h3b n TRP 216 N 0.94 0.36 0.27 1.90 4.27 -1.26 -1.69 117.44 122.23 1h3b n TRP 216 Ca -0.00 0.19 -0.13 0.00 -3.89 0.00 0.00 57.50 53.67 1h3b n TRP 216 Cb 0.43 -0.66 -0.06 0.00 -1.36 0.00 0.00 31.31 29.65 1h3b n TRP 216 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 1h3b h ILE 217 N 0.00 0.15 -0.83 -1.67 2.04 -1.99 -1.20 117.51 114.02 1h3b h ILE 217 Ca 0.00 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1h3b h ILE 217 Cb 0.38 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1h3b h ILE 217 CO 0.00 0.03 0.55 -0.26 0.00 0.00 0.00 178.15 178.47 1h3b h PHE 218 N -1.13 1.03 -0.35 1.37 0.04 -1.70 0.71 116.94 116.91 1h3b h PHE 218 Ca -0.08 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.77 1h3b h PHE 218 Cb 0.61 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1h3b h PHE 218 CO 0.01 0.64 0.09 0.22 -0.60 0.00 0.00 178.31 178.67 1h3b h ASP 219 N 1.10 0.07 0.09 2.17 3.58 -1.50 0.52 116.42 122.45 1h3b h ASP 219 Ca 0.31 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 1h3b h ASP 219 Cb -0.09 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1h3b h ASP 219 CO -0.07 0.07 -0.05 0.00 -2.88 0.00 0.00 179.24 176.32 1h3b h ALA 220 N 1.24 -0.13 -0.87 -0.78 0.00 0.13 -2.78 119.26 116.08 1h3b h ALA 220 Ca 0.16 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.06 1h3b h ALA 220 Cb 0.16 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1h3b h ALA 220 CO -0.19 -0.39 0.44 1.25 0.00 0.00 0.00 179.25 180.36 1h3b h LEU 221 N -0.49 0.50 0.53 0.00 5.85 0.74 0.16 115.31 122.60 1h3b h LEU 221 Ca -0.01 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1h3b h LEU 221 Cb 0.41 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1h3b h LEU 221 CO 0.02 0.17 -0.31 -0.78 -0.34 0.00 0.00 178.44 177.20 1h3b h ASP 222 N 0.58 -0.78 -1.00 1.25 3.58 0.09 0.42 116.42 120.57 1h3b h ASP 222 Ca 0.49 0.04 0.17 0.00 0.42 0.00 0.00 57.03 58.16 1h3b h ASP 222 Cb 0.77 0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.94 1h3b h ASP 222 CO -0.40 -0.50 0.62 0.03 -2.88 0.00 0.00 179.24 176.11 1h3b h ARG 223 N -0.80 0.80 0.40 0.28 3.08 -0.99 0.92 114.38 118.08 1h3b h ARG 223 Ca -0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1h3b h ARG 223 Cb 0.64 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1h3b h ARG 223 CO 0.08 0.53 -0.23 0.00 -1.07 0.00 0.00 179.97 179.27 1h3b h ALA 224 N 1.61 -0.59 -0.44 0.04 0.00 -0.10 -1.77 119.26 118.01 1h3b h ALA 224 Ca 0.55 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1h3b h ALA 224 Cb 0.79 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1h3b h ALA 224 CO -0.34 -0.84 0.29 -0.07 0.00 0.00 0.00 179.25 178.29 1h3b h LEU 225 N -0.60 0.30 -0.81 0.00 3.38 0.11 0.18 115.31 117.87 1h3b h LEU 225 Ca -0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1h3b h LEU 225 Cb 0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1h3b h LEU 225 CO 0.06 0.20 -0.45 0.45 0.09 0.00 0.00 178.44 178.79 1h3b h HIS 226 N 0.34 0.00 0.01 1.13 3.86 -0.58 -1.70 115.15 118.21 1h3b h HIS 226 Ca 0.19 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1h3b h HIS 226 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1h3b h HIS 226 CO -0.00 0.45 -0.15 0.78 0.86 0.00 0.00 177.93 179.87 1h3b h GLY 227 N 2.14 0.09 1.58 2.45 0.00 -0.00 -3.15 103.07 106.18 1h3b h GLY 227 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1h3b h GLY 227 CO 0.06 0.16 0.17 -1.82 0.00 0.00 0.00 176.54 175.10 1h3b h TYR 228 N -0.72 0.00 -0.32 5.60 3.20 -0.70 0.38 116.97 124.41 1h3b h TYR 228 Ca -0.02 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 1h3b h TYR 228 Cb 0.99 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1h3b h TYR 228 CO 0.22 0.00 -0.25 0.37 -1.64 0.00 0.00 178.16 176.85 1h3b h GLN 229 N 0.00 0.63 0.00 1.82 5.75 -1.31 -3.04 115.11 118.95 1h3b h GLN 229 Ca 0.08 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1h3b h GLN 229 Cb 0.41 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 1h3b h GLN 229 CO -0.00 0.82 -0.09 0.87 -2.65 0.00 0.00 178.83 177.78 1h3b h LYS 230 N 0.55 0.00 -6.58 1.69 1.79 -0.19 -3.45 116.57 110.37 1h3b h LYS 230 Ca 0.08 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.15 1h3b h LYS 230 Cb 0.72 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 31.58 1h3b h LYS 230 CO 0.06 0.09 -0.81 1.28 -1.08 0.00 0.00 179.45 178.98 1h3b n LEU 231 N -4.25 -1.99 -0.09 2.94 4.77 -1.15 -4.95 117.00 112.28 1h3b n LEU 231 Ca -0.03 -0.25 0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1h3b n LEU 231 Cb 0.17 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.25 1h3b n LEU 231 CO 0.34 -3.23 0.02 -0.24 -1.33 0.00 0.00 177.39 172.95 1h3b n SER 232 N -2.06 1.05 -3.56 -1.43 2.88 -1.26 -4.90 113.62 104.34 1h3b n SER 232 Ca 0.03 -1.02 -0.10 0.00 -1.33 0.00 0.00 58.87 56.44 1h3b n SER 232 Cb 0.56 0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 64.82 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 -2.58 -0.58 -0.48 2.46 -7.23 -1.26 -5.10 120.40 105.63 1h3b s VAL 233 Ca 0.09 0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1h3b s VAL 233 Cb 0.14 -0.67 0.13 0.00 0.56 0.00 0.00 36.38 36.54 1h3b s VAL 233 CO 0.68 0.01 0.28 -1.00 -0.31 0.00 0.00 175.10 174.77 1h3b s HIS 234 N 2.54 3.53 0.37 2.82 0.09 -1.26 -5.08 115.29 118.30 1h3b s HIS 234 Ca 0.04 -2.46 -0.27 0.00 -0.00 0.00 0.00 55.06 52.36 1h3b s HIS 234 Cb -0.13 -3.24 -0.12 0.00 -0.00 0.00 0.00 32.58 29.09 1h3b s HIS 234 CO -0.13 -0.94 1.32 -0.35 -0.00 0.00 0.00 174.74 174.64 1h3b n PRO 235 N 4.30 2.17 -1.24 8.40 -0.04 -1.26 -2.36 135.00 144.98 1h3b n PRO 235 Ca 0.00 0.76 -0.08 0.00 -0.04 0.00 0.00 63.50 64.14 1h3b n PRO 235 Cb 0.40 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.23 0.00 0.12 0.54 3.72 -1.26 -4.86 117.46 115.95 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 0.37 -2.44 -0.14 0.00 -0.94 0.00 0.00 39.48 36.33 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 0.05 0.53 -0.95 -1.08 2.43 -1.91 -2.40 114.38 111.05 1h3b h ARG 237 Ca -0.17 -0.83 0.07 0.00 -0.81 0.00 0.00 59.98 58.25 1h3b h ARG 237 Cb 1.06 0.30 -0.06 0.00 -0.42 0.00 0.00 29.97 30.84 1h3b h ARG 237 CO 0.24 1.39 0.61 -0.09 -1.51 0.00 0.00 179.97 180.61 1h3b h ARG 238 N 0.18 1.04 -0.17 0.20 2.43 -1.89 -0.41 114.38 115.76 1h3b h ARG 238 Ca -0.21 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1h3b h ARG 238 Cb 2.05 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1h3b h ARG 238 CO 0.25 0.69 0.08 0.00 -1.51 0.00 0.00 179.97 179.48 1h3b h ALA 239 N 1.50 0.22 -0.66 2.80 0.00 -1.95 -1.03 119.26 120.13 1h3b h ALA 239 Ca 0.42 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1h3b h ALA 239 Cb 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1h3b h ALA 239 CO -0.17 -0.22 0.32 0.00 0.00 0.00 0.00 179.25 179.18 1h3b h ALA 240 N 0.95 0.90 0.61 0.00 0.00 -0.70 0.32 119.26 121.34 1h3b h ALA 240 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1h3b h ALA 240 Cb 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1h3b h ALA 240 CO -0.01 -0.07 -0.29 0.93 0.00 0.00 0.00 179.25 179.81 1h3b h GLU 241 N 0.56 -0.79 -0.82 0.00 5.08 -0.86 -2.01 114.58 115.74 1h3b h GLU 241 Ca 0.32 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.86 1h3b h GLU 241 Cb 0.32 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1h3b h GLU 241 CO -0.25 -0.50 0.54 0.82 -1.00 0.00 0.00 179.01 178.61 1h3b h ILE 242 N -0.88 0.89 0.00 3.13 2.04 -0.79 0.62 117.51 122.52 1h3b h ILE 242 Ca -0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1h3b h ILE 242 Cb 0.65 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1h3b h ILE 242 CO 0.14 0.12 -0.09 0.03 0.00 0.00 0.00 178.15 178.35 1h3b h ARG 243 N 0.67 0.00 0.15 2.37 3.08 0.01 -0.45 114.38 120.21 1h3b h ARG 243 Ca 0.40 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.09 1h3b h ARG 243 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1h3b h ARG 243 CO -0.16 0.09 -1.90 0.00 -1.07 0.00 0.00 179.97 176.93 1h3b h ALA 244 N 1.91 0.33 -0.86 0.04 0.00 0.79 -2.89 119.26 118.58 1h3b h ALA 244 Ca -0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 54.91 53.58 1h3b h ALA 244 Cb 0.38 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1h3b h ALA 244 CO 0.01 1.20 0.42 1.25 0.00 0.00 0.00 179.25 182.13 1h3b h LEU 245 N 0.07 1.11 -0.57 0.00 5.85 -0.33 -0.82 115.31 120.63 1h3b h LEU 245 Ca -0.39 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.06 1h3b h LEU 245 Cb 2.05 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 1h3b h LEU 245 CO 0.12 0.93 -0.38 0.44 -0.34 0.00 0.00 178.44 179.21 1h3b h ASP 246 N 1.22 0.77 -0.74 1.25 5.19 -1.22 -0.02 116.42 122.87 1h3b h ASP 246 Ca 0.30 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1h3b h ASP 246 Cb 0.10 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 1h3b h ASP 246 CO -0.04 1.06 0.38 -0.25 -3.12 0.00 0.00 179.24 177.27 1h3b h TRP 247 N 0.60 1.05 -0.04 4.55 7.01 -1.18 -1.61 115.95 126.34 1h3b h TRP 247 Ca 0.05 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1h3b h TRP 247 Cb 0.92 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1h3b h TRP 247 CO 0.05 0.76 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.35 1h3b h LEU 248 N 1.06 0.10 -1.54 0.65 3.38 -0.84 -3.10 115.31 115.02 1h3b h LEU 248 Ca 0.26 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1h3b h LEU 248 Cb 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h3b h LEU 248 CO -0.04 0.56 0.31 -0.07 0.09 0.00 0.00 178.44 179.30 1h3b h LEU 249 N -0.37 0.54 -1.30 1.67 3.38 -0.79 -1.45 115.31 116.99 1h3b h LEU 249 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1h3b h LEU 249 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1h3b h LEU 249 CO 0.01 0.39 -0.33 -0.33 0.09 0.00 0.00 178.44 178.27 1h3b h GLU 250 N 0.63 0.00 -0.01 1.13 5.08 -1.32 -3.30 114.58 116.80 1h3b h GLU 250 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1h3b h GLU 250 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1h3b h GLU 250 CO -0.04 0.33 -0.33 0.54 -1.00 0.00 0.00 179.01 178.51 1h3b n ARG 251 N -3.86 1.66 -1.61 2.33 1.74 -0.59 -5.00 116.66 111.32 1h3b n ARG 251 Ca -0.01 -0.83 -0.56 0.00 -0.77 0.00 0.00 57.85 55.68 1h3b n ARG 251 Cb 0.40 -1.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.10 0.78 -0.93 5.56 7.27 -0.92 -4.72 117.38 124.32 1h3b n GLN 252 Ca 0.07 0.28 -0.28 0.00 0.07 0.00 0.00 57.00 57.14 1h3b n GLN 252 Cb 0.34 -1.89 0.21 0.00 2.41 0.00 0.00 30.24 31.31 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 1.27 0.32 0.20 1.69 0.00 0.42 -4.91 121.76 120.75 1h3b s ALA 253 Ca 0.91 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1h3b s ALA 253 Cb -1.10 -3.15 0.13 0.00 0.00 0.00 0.00 23.12 19.00 1h3b s ALA 253 CO 0.56 -3.29 1.76 0.78 0.00 0.00 0.00 175.76 175.58 1h3b h GLY 254 N -2.22 1.19 0.54 0.00 0.00 -1.86 -2.15 103.07 98.57 1h3b h GLY 254 Ca -0.58 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.10 1h3b h GLY 254 CO 0.55 0.61 0.00 2.09 0.00 0.00 0.00 176.54 179.79 1h3b n ASP 255 N -4.33 0.00 0.00 0.19 5.68 -1.26 -4.82 116.55 112.01 1h3b n ASP 255 Ca 0.06 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1h3b n ASP 255 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.39 0.82 0.00 6.12 0.00 -0.81 -4.10 105.19 107.61 1h3b n GLY 256 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.57 1.61 3.41 -1.26 -3.80 113.62 110.02 1h3b n SER 257 Ca 0.00 -0.72 -0.27 0.00 -0.26 0.00 0.00 58.87 57.62 1h3b n SER 257 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.20 0.22 0.00 7.33 0.51 -1.26 -0.44 118.94 125.50 1h3b s TRP 258 Ca 0.00 -0.57 0.00 0.00 -2.12 0.00 0.00 56.10 53.41 1h3b s TRP 258 Cb 0.00 -0.78 0.00 0.00 -0.81 0.00 0.00 33.47 31.88 1h3b s TRP 258 CO 0.00 -0.68 0.00 0.41 -0.51 0.00 0.00 176.95 176.17 1h3b n GLY 259 N 5.27 2.26 2.35 0.98 0.00 -1.26 -3.58 105.19 111.21 1h3b n GLY 259 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 1.15 3.30 -0.02 0.00 -1.26 -5.00 105.19 101.36 1h3b n GLY 260 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.49 1.76 0.11 -0.61 -4.36 -1.23 -4.38 121.20 110.00 1h3b s ILE 261 Ca 0.00 -1.60 -0.32 0.00 -0.26 0.00 0.00 60.65 58.48 1h3b s ILE 261 Cb 0.00 -1.62 -0.11 0.00 1.25 0.00 0.00 42.46 41.99 1h3b s ILE 261 CO 0.00 -0.07 1.58 -0.61 0.24 0.00 0.00 174.94 176.08 1h3b h GLN 262 N 3.98 -0.65 0.00 0.37 -0.00 -1.66 -3.23 115.11 113.92 1h3b h GLN 262 Ca -0.46 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1h3b h GLN 262 Cb 1.18 0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.81 1h3b h GLN 262 CO 0.41 -0.44 0.00 -2.30 0.00 0.00 0.00 178.83 176.50 1h3b n PRO 263 N -5.47 0.00 -0.32 -2.39 -0.02 -1.26 -0.97 135.00 124.57 1h3b n PRO 263 Ca -0.07 0.76 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1h3b n PRO 263 Cb 0.39 -1.37 0.27 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.93 0.24 0.52 0.13 -1.85 -0.56 132.00 131.40 1h3b h PRO 264 Ca 0.00 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1h3b h PRO 264 Cb 0.00 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 30.88 1h3b h PRO 264 CO 0.00 0.61 -0.42 2.35 -0.23 0.00 0.00 178.00 180.32 1h3b h TRP 265 N 0.96 -1.16 -0.58 1.56 2.91 -1.52 0.60 115.95 118.72 1h3b h TRP 265 Ca 0.44 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.50 1h3b h TRP 265 Cb 0.39 0.48 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 1h3b h TRP 265 CO -0.00 -0.54 0.35 0.74 -1.03 0.00 0.00 178.44 177.97 1h3b h PHE 266 N -0.73 0.66 -0.33 2.65 -1.00 -0.38 -1.47 116.94 116.35 1h3b h PHE 266 Ca -0.00 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.67 1h3b h PHE 266 Cb 0.71 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1h3b h PHE 266 CO -0.31 0.38 -0.29 1.88 -1.61 0.00 0.00 178.31 178.36 1h3b h TYR 267 N 0.70 0.93 -0.74 -0.55 0.05 -0.79 -2.06 116.97 114.51 1h3b h TYR 267 Ca 0.23 -0.27 0.03 0.00 0.05 0.00 0.00 58.73 58.78 1h3b h TYR 267 Cb 0.02 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 1h3b h TYR 267 CO -0.06 1.04 0.49 0.00 -1.05 0.00 0.00 178.16 178.58 1h3b h ALA 268 N 0.74 1.56 -0.51 3.88 0.00 0.41 0.39 119.26 125.72 1h3b h ALA 268 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1h3b h ALA 268 Cb 0.87 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1h3b h ALA 268 CO 0.07 0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 179.60 1h3b h LEU 269 N 0.91 0.92 -0.43 0.00 3.38 -1.02 -0.88 115.31 118.19 1h3b h LEU 269 Ca 0.29 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1h3b h LEU 269 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1h3b h LEU 269 CO -0.08 1.02 -0.07 0.40 0.09 0.00 0.00 178.44 179.79 1h3b h ILE 270 N 0.79 1.27 -0.68 1.22 2.04 -0.54 -1.43 117.51 120.18 1h3b h ILE 270 Ca 0.14 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1h3b h ILE 270 Cb 0.56 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1h3b h ILE 270 CO 0.03 0.39 0.39 0.00 0.00 0.00 0.00 178.15 178.96 1h3b h ALA 271 N 0.87 0.91 -0.42 1.87 0.00 -0.11 0.12 119.26 122.50 1h3b h ALA 271 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1h3b h ALA 271 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1h3b h ALA 271 CO 0.04 0.08 -0.06 -0.07 0.00 0.00 0.00 179.25 179.23 1h3b h LEU 272 N 0.72 0.68 -0.58 0.00 3.38 -0.96 -1.25 115.31 117.30 1h3b h LEU 272 Ca 0.30 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1h3b h LEU 272 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1h3b h LEU 272 CO -0.17 0.79 0.19 0.50 0.09 0.00 0.00 178.44 179.84 1h3b h LYS 273 N 0.65 0.90 -0.83 1.13 1.63 -0.04 -1.96 116.57 118.05 1h3b h LYS 273 Ca 0.12 -0.19 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1h3b h LYS 273 Cb 0.49 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 1h3b h LYS 273 CO 0.03 0.80 0.53 0.82 -3.45 0.00 0.00 179.45 178.17 1h3b h ILE 274 N 0.82 1.11 -0.05 2.00 1.08 -0.20 -1.81 117.51 120.46 1h3b h ILE 274 Ca 0.19 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1h3b h ILE 274 Cb 0.27 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1h3b h ILE 274 CO -0.01 0.19 0.00 0.18 -0.69 0.00 0.00 178.15 177.82 1h3b n LEU 275 N -4.58 1.17 -3.87 1.44 4.77 -0.53 -4.88 117.00 110.51 1h3b n LEU 275 Ca 0.10 -0.59 -0.29 0.00 -0.03 0.00 0.00 56.01 55.21 1h3b n LEU 275 Cb 0.10 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1h3b n LEU 275 CO 0.33 0.24 0.09 0.47 -1.33 0.00 0.00 177.39 177.19 1h3b n ASP 276 N -0.03 -4.40 -1.35 -1.43 9.92 -0.68 -4.90 116.55 113.68 1h3b n ASP 276 Ca 0.02 -0.77 -0.10 0.00 -0.53 0.00 0.00 54.79 53.41 1h3b n ASP 276 Cb 0.27 -3.96 0.13 0.00 -0.64 0.00 0.00 41.12 36.91 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 -4.65 2.46 0.10 -1.24 2.81 -0.78 -4.69 117.12 111.12 1h3b n MET 277 Ca -0.01 -3.61 0.12 0.00 -1.81 0.00 0.00 57.70 52.39 1h3b n MET 277 Cb 0.55 -1.95 0.45 0.00 -0.71 0.00 0.00 33.22 31.57 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 -0.96 0.71 1.20 2.03 -2.24 -1.26 -1.93 114.28 111.84 1h3b n THR 278 Ca 0.34 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 1h3b n THR 278 Cb 0.87 -0.92 0.34 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.10 1.96 -3.25 -0.78 1.13 -1.26 -4.52 117.38 108.56 1h3b n GLN 279 Ca 0.04 -1.41 -0.33 0.00 -1.94 0.00 0.00 57.00 53.35 1h3b n GLN 279 Cb 0.29 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 29.12 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 -1.93 3.47 0.15 1.08 2.46 -0.81 -4.99 115.29 114.72 1h3b s HIS 280 Ca 0.34 1.11 -0.22 0.00 0.47 0.00 0.00 55.06 56.76 1h3b s HIS 280 Cb 0.20 -2.44 0.04 0.00 -0.13 0.00 0.00 32.58 30.25 1h3b s HIS 280 CO 0.31 0.24 1.63 -1.35 -2.47 0.00 0.00 174.74 173.11 1h3b h PRO 281 N 2.73 -0.21 -0.88 2.88 0.11 -1.92 -2.14 132.00 132.57 1h3b h PRO 281 Ca -0.48 0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.86 1h3b h PRO 281 Cb 1.18 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.22 1h3b h PRO 281 CO 0.67 -0.14 0.39 0.00 -0.21 0.00 0.00 178.00 178.71 1h3b h ALA 282 N 0.87 1.40 0.13 -0.75 0.00 -1.95 0.40 119.26 119.36 1h3b h ALA 282 Ca 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1h3b h ALA 282 Cb 0.44 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h3b h ALA 282 CO -0.39 -0.31 -0.06 0.35 0.00 0.00 0.00 179.25 178.85 1h3b h PHE 283 N 0.43 -0.16 -0.20 0.00 3.04 -1.69 0.99 116.94 119.34 1h3b h PHE 283 Ca 0.54 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.54 1h3b h PHE 283 Cb 0.99 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 39.50 1h3b h PHE 283 CO -0.13 0.26 -0.15 0.82 -2.02 0.00 0.00 178.31 177.09 1h3b h ILE 284 N -0.65 0.58 -0.20 1.41 1.08 -0.69 0.48 117.51 119.52 1h3b h ILE 284 Ca -0.02 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 1h3b h ILE 284 Cb 0.49 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1h3b h ILE 284 CO 0.03 0.00 -0.09 0.50 -0.69 0.00 0.00 178.15 177.90 1h3b h LYS 285 N -0.14 0.31 -0.26 2.37 1.63 -0.26 -0.67 116.57 119.55 1h3b h LYS 285 Ca 0.12 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.69 1h3b h LYS 285 Cb 0.32 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1h3b h LYS 285 CO -0.29 0.42 -0.46 0.78 -3.45 0.00 0.00 179.45 176.44 1h3b h GLY 286 N 0.75 0.85 0.89 5.01 0.00 0.44 -1.73 103.07 109.28 1h3b h GLY 286 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 46.37 1h3b h GLY 286 CO 0.02 0.88 0.02 -0.25 0.00 0.00 0.00 176.54 177.21 1h3b h TRP 287 N 0.52 0.58 -0.73 5.60 2.91 0.28 -3.14 115.95 121.97 1h3b h TRP 287 Ca 0.02 -0.09 -0.07 0.00 1.13 0.00 0.00 58.89 59.88 1h3b h TRP 287 Cb 1.07 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.53 1h3b h TRP 287 CO 0.08 0.65 0.20 0.93 -1.03 0.00 0.00 178.44 179.27 1h3b h GLU 288 N 0.34 1.16 -0.57 2.65 5.08 -1.14 -3.01 114.58 119.08 1h3b h GLU 288 Ca 0.09 -0.26 0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1h3b h GLU 288 Cb 0.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1h3b h GLU 288 CO 0.01 1.00 0.45 0.78 -1.00 0.00 0.00 179.01 180.25 1h3b h GLY 289 N 1.10 0.00 -0.18 -3.84 0.00 -1.25 -3.01 103.07 95.89 1h3b h GLY 289 Ca 0.23 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.72 1h3b h GLY 289 CO -0.00 0.00 0.08 1.41 0.00 0.00 0.00 176.54 178.03 1h3b h LEU 290 N 0.00 -0.17 -1.49 3.11 3.38 -1.59 -2.32 115.31 116.22 1h3b h LEU 290 Ca 0.27 0.17 0.28 0.00 0.09 0.00 0.00 57.88 58.69 1h3b h LEU 290 Cb 1.18 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 1h3b h LEU 290 CO -0.00 -0.11 0.69 -0.33 0.09 0.00 0.00 178.44 178.78 1h3b h GLU 291 N 0.17 0.30 0.00 1.13 4.39 -1.76 0.63 114.58 119.45 1h3b h GLU 291 Ca 0.40 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 1h3b h GLU 291 Cb 0.69 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1h3b h GLU 291 CO -0.57 0.20 -0.12 1.25 -1.16 0.00 0.00 179.01 178.61 1h3b h LEU 292 N 0.31 0.00 0.00 1.33 5.85 -1.65 -2.13 115.31 119.03 1h3b h LEU 292 Ca 0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.30 1h3b h LEU 292 Cb 1.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1h3b h LEU 292 CO -0.24 0.12 -0.63 1.88 -0.34 0.00 0.00 178.44 179.23 1h3b h TYR 293 N 0.00 0.00 -4.18 1.25 -1.99 -1.02 -3.47 116.97 107.56 1h3b h TYR 293 Ca -0.00 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.23 1h3b h TYR 293 Cb 0.26 0.00 0.14 0.00 2.00 0.00 0.00 36.73 39.13 1h3b h TYR 293 CO 0.00 0.00 0.28 0.20 -0.00 0.00 0.00 178.16 178.64 1h3b s GLY 294 N -3.88 1.64 -0.12 3.88 0.00 -0.80 -1.70 107.32 106.34 1h3b s GLY 294 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.81 1h3b s GLY 294 CO 0.73 0.53 0.27 0.14 0.00 0.00 0.00 173.10 174.77 1h3b s VAL 295 N -2.90 -0.08 -0.20 1.40 1.01 0.70 -4.89 120.40 115.44 1h3b s VAL 295 Ca 0.63 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.52 1h3b s VAL 295 Cb -0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1h3b s VAL 295 CO 0.57 0.06 0.77 -1.61 0.00 0.00 0.00 175.10 174.89 1h3b s GLU 296 N 1.41 4.23 0.05 2.72 0.41 -1.26 -1.40 118.70 124.85 1h3b s GLU 296 Ca -0.08 0.86 -0.10 0.00 -0.41 0.00 0.00 54.97 55.24 1h3b s GLU 296 Cb -0.10 -3.60 -0.06 0.00 -1.78 0.00 0.00 34.13 28.59 1h3b s GLU 296 CO -0.09 -0.37 0.37 -0.51 -0.49 0.00 0.00 175.26 174.17 1h3b s LEU 297 N 2.33 4.37 0.26 1.80 1.43 0.23 -5.00 118.68 124.10 1h3b s LEU 297 Ca 0.34 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 1h3b s LEU 297 Cb -0.16 -2.85 0.43 0.00 0.03 0.00 0.00 46.19 43.65 1h3b s LEU 297 CO 0.10 0.21 1.82 -2.24 0.23 0.00 0.00 176.35 176.48 1h3b h ASP 298 N 3.94 0.78 0.00 2.29 3.04 -1.97 -2.02 116.42 122.48 1h3b h ASP 298 Ca -0.50 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1h3b h ASP 298 Cb 1.20 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1h3b h ASP 298 CO 0.65 0.44 0.00 0.00 -2.04 0.00 0.00 179.24 178.30 1h3b n TYR 299 N -4.68 0.00 -0.50 4.15 0.18 -1.26 -4.73 117.16 110.31 1h3b n TYR 299 Ca 0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.93 1h3b n TYR 299 Cb 0.28 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 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 0.15 0.74 3.89 -7.48 0.00 -0.77 -5.02 105.19 96.70 1h3b n GLY 300 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 2.04 -0.03 -0.02 0.00 -1.18 -4.40 107.32 101.63 1h3b s GLY 301 Ca 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 42.93 1h3b s GLY 301 CO 0.00 -1.64 -0.08 0.86 0.00 0.00 0.00 173.10 172.24 1h3b s TRP 302 N -2.42 0.91 0.14 1.90 -0.00 -0.83 0.77 118.94 119.41 1h3b s TRP 302 Ca 0.48 -0.24 0.06 0.00 -0.00 0.00 0.00 56.10 56.40 1h3b s TRP 302 Cb -0.05 -0.68 -0.04 0.00 -0.00 0.00 0.00 33.47 32.71 1h3b s TRP 302 CO 0.28 -0.12 -0.15 0.00 -0.00 0.00 0.00 176.95 176.97 1h3b s MET 303 N 0.33 1.11 -0.14 5.86 0.23 -0.49 -4.54 119.30 121.66 1h3b s MET 303 Ca -0.05 -1.33 -0.01 0.00 -1.03 0.00 0.00 55.69 53.27 1h3b s MET 303 Cb -0.10 -0.99 -0.02 0.00 -1.53 0.00 0.00 34.83 32.20 1h3b s MET 303 CO 0.01 0.18 -0.11 0.12 -2.03 0.00 0.00 175.02 173.19 1h3b s PHE 304 N -2.32 2.85 0.15 3.16 2.19 -1.26 -0.21 117.98 122.53 1h3b s PHE 304 Ca 0.12 -0.58 -0.30 0.00 0.33 0.00 0.00 56.93 56.50 1h3b s PHE 304 Cb -0.04 -1.87 -0.07 0.00 -1.31 0.00 0.00 43.02 39.74 1h3b s PHE 304 CO 0.04 -0.18 1.03 -0.65 1.83 0.00 0.00 175.22 177.29 1h3b s GLN 305 N 0.37 4.65 0.54 10.12 -0.21 -0.69 -4.75 119.66 129.69 1h3b s GLN 305 Ca -0.09 1.58 0.26 0.00 0.02 0.00 0.00 55.36 57.12 1h3b s GLN 305 Cb -0.16 -3.33 1.52 0.00 1.00 0.00 0.00 33.01 32.05 1h3b s GLN 305 CO 0.05 0.15 2.14 0.00 -2.12 0.00 0.00 175.29 175.51 1h3b h ALA 306 N 5.33 1.47 -1.98 6.09 0.00 -1.92 -3.43 119.26 124.82 1h3b h ALA 306 Ca -0.44 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 54.68 1h3b h ALA 306 Cb 1.21 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1h3b h ALA 306 CO 0.72 0.10 0.74 0.45 0.00 0.00 0.00 179.25 181.26 1h3b s SER 307 N -6.32 -0.05 0.09 0.00 0.15 -1.26 -1.89 113.70 104.41 1h3b s SER 307 Ca -0.04 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.39 1h3b s SER 307 Cb 0.14 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1h3b s SER 307 CO 0.59 -0.54 -0.23 0.27 1.20 0.00 0.00 173.24 174.53 1h3b s ILE 308 N -2.41 1.91 -0.22 6.45 -4.36 -1.26 -4.49 121.20 116.82 1h3b s ILE 308 Ca 0.19 -1.50 0.11 0.00 -0.26 0.00 0.00 60.65 59.19 1h3b s ILE 308 Cb 0.01 -1.69 0.43 0.00 1.25 0.00 0.00 42.46 42.47 1h3b s ILE 308 CO -0.00 0.10 1.20 -1.54 0.24 0.00 0.00 174.94 174.94 1h3b n SER 309 N 1.31 2.55 -0.13 4.36 3.41 -1.26 -3.80 113.62 120.05 1h3b n SER 309 Ca -0.18 -3.67 -0.10 0.00 -0.26 0.00 0.00 58.87 54.65 1h3b n SER 309 Cb 0.53 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.38 -0.32 0.16 4.33 0.13 -1.77 0.13 132.00 136.04 1h3b h PRO 310 Ca 0.08 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1h3b h PRO 310 Cb 1.22 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1h3b h PRO 310 CO 0.22 -0.21 -0.30 0.28 -0.23 0.00 0.00 178.00 177.76 1h3b h VAL 311 N -0.33 0.35 -0.47 1.56 2.07 -1.74 0.22 116.25 117.90 1h3b h VAL 311 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1h3b h VAL 311 Cb 0.58 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1h3b h VAL 311 CO -0.59 0.00 -0.02 -0.25 0.02 0.00 0.00 177.57 176.73 1h3b h TRP 312 N -0.55 -0.07 0.06 1.57 2.91 -1.59 0.20 115.95 118.48 1h3b h TRP 312 Ca 0.02 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1h3b h TRP 312 Cb 0.56 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1h3b h TRP 312 CO -0.25 -0.12 -0.03 -0.44 -1.03 0.00 0.00 178.44 176.56 1h3b h ASP 313 N 0.09 -0.07 -0.13 2.65 3.32 -0.34 -1.97 116.42 119.98 1h3b h ASP 313 Ca 0.24 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1h3b h ASP 313 Cb 0.35 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1h3b h ASP 313 CO -0.41 0.02 -0.22 0.74 -1.72 0.00 0.00 179.24 177.65 1h3b h THR 314 N -0.16 0.47 -0.20 0.35 2.02 0.08 0.48 112.91 115.94 1h3b h THR 314 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1h3b h THR 314 Cb 0.14 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 66.95 1h3b h THR 314 CO 0.01 0.00 -0.28 1.23 0.37 0.00 0.00 175.52 176.85 1h3b h GLY 315 N -0.28 -0.29 0.96 2.16 0.00 -0.49 -1.23 103.07 103.91 1h3b h GLY 315 Ca 0.10 0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 1h3b h GLY 315 CO -0.29 -0.21 0.14 1.41 0.00 0.00 0.00 176.54 177.59 1h3b h LEU 316 N -0.31 0.71 -0.57 3.11 3.38 -1.12 -2.37 115.31 118.13 1h3b h LEU 316 Ca 0.12 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1h3b h LEU 316 Cb 0.50 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1h3b h LEU 316 CO -0.38 0.74 0.10 0.00 0.09 0.00 0.00 178.44 178.99 1h3b h ALA 317 N 1.00 0.65 0.20 1.53 0.00 -0.51 0.24 119.26 122.36 1h3b h ALA 317 Ca 0.15 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1h3b h ALA 317 Cb 0.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1h3b h ALA 317 CO -0.00 -0.32 -0.09 0.28 0.00 0.00 0.00 179.25 179.11 1h3b h VAL 318 N 0.23 0.81 -0.57 0.00 2.07 -1.06 0.15 116.25 117.88 1h3b h VAL 318 Ca 0.29 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.87 1h3b h VAL 318 Cb 0.43 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1h3b h VAL 318 CO -0.39 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.51 1h3b h LEU 319 N -0.27 0.48 0.50 2.57 3.38 -0.76 -0.90 115.31 120.31 1h3b h LEU 319 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 319 Cb 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1h3b h LEU 319 CO 0.04 0.31 -0.24 0.00 0.09 0.00 0.00 178.44 178.65 1h3b h ALA 320 N 1.69 -0.68 -0.79 1.53 0.00 -0.06 -1.93 119.26 119.02 1h3b h ALA 320 Ca 0.25 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1h3b h ALA 320 Cb 0.28 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1h3b h ALA 320 CO -0.07 -0.66 0.53 -0.07 0.00 0.00 0.00 179.25 178.97 1h3b h LEU 321 N -1.11 0.41 0.17 0.00 3.38 -0.71 -0.44 115.31 117.00 1h3b h LEU 321 Ca -0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 321 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1h3b h LEU 321 CO 0.11 0.20 -0.08 0.03 0.09 0.00 0.00 178.44 178.79 1h3b h ARG 322 N 0.43 -0.22 0.00 1.13 2.47 -1.17 -2.16 114.38 114.86 1h3b h ARG 322 Ca 0.40 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1h3b h ARG 322 Cb 0.92 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1h3b h ARG 322 CO -0.13 0.21 0.00 0.00 0.56 0.00 0.00 179.97 180.60 1h3b n ALA 323 N -2.57 1.09 0.30 0.04 0.00 -0.73 -1.16 120.51 117.49 1h3b n ALA 323 Ca -0.08 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1h3b n ALA 323 Cb 0.26 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.76 2.95 0.00 0.00 0.00 -0.20 -4.13 120.51 117.37 1h3b n ALA 324 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1h3b n ALA 324 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.28 1.63 1.69 0.00 0.00 -0.31 -4.89 105.19 104.60 1h3b n GLY 325 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.76 0.99 4.77 -1.12 -4.81 117.00 111.94 1h3b n LEU 326 Ca 0.00 0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 56.14 1h3b n LEU 326 Cb 0.00 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1h3b n LEU 326 CO 0.00 -1.03 1.06 -2.16 -1.33 0.00 0.00 177.39 173.93 1h3b s PRO 327 N -0.10 3.64 0.56 3.23 0.04 -1.26 -4.60 135.00 136.51 1h3b s PRO 327 Ca 0.42 2.40 0.18 0.00 0.04 0.00 0.00 61.00 64.03 1h3b s PRO 327 Cb -0.58 -2.62 0.97 0.00 0.04 0.00 0.00 34.50 32.30 1h3b s PRO 327 CO 0.28 -0.85 1.50 0.00 0.04 0.00 0.00 177.00 177.97 1h3b h ALA 328 N 2.25 1.44 -0.15 8.56 0.00 -1.87 0.26 119.26 129.75 1h3b h ALA 328 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1h3b h ALA 328 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1h3b h ALA 328 CO 0.61 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 1h3b n ASP 329 N -2.52 2.71 -4.69 0.00 5.68 -1.26 -0.31 116.55 116.16 1h3b n ASP 329 Ca -0.01 -2.42 -0.55 0.00 -0.50 0.00 0.00 54.79 51.31 1h3b n ASP 329 Cb 0.51 -0.26 -0.07 0.00 -1.14 0.00 0.00 41.12 40.17 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 -0.40 2.06 -0.26 2.11 -0.00 0.92 -4.74 115.22 114.92 1h3b n HIS 330 Ca 0.11 0.44 0.32 0.00 0.46 0.00 0.00 57.72 59.05 1h3b n HIS 330 Cb 0.51 -2.49 0.74 0.00 -0.12 0.00 0.00 29.99 28.63 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 7.30 0.00 0.13 0.26 2.03 -1.95 0.29 116.42 124.48 1h3b h ASP 331 Ca -0.47 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.65 1h3b h ASP 331 Cb 1.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1h3b h ASP 331 CO 0.94 0.00 -0.70 -0.09 -1.03 0.00 0.00 179.24 178.37 1h3b h ARG 332 N 0.00 0.51 0.02 4.15 9.65 -1.97 -2.48 114.38 124.26 1h3b h ARG 332 Ca 0.50 -0.39 -0.26 0.00 -1.10 0.00 0.00 59.98 58.73 1h3b h ARG 332 Cb 2.01 0.07 0.02 0.00 -1.39 0.00 0.00 29.97 30.68 1h3b h ARG 332 CO -0.01 1.02 -1.05 -0.07 2.80 0.00 0.00 179.97 182.66 1h3b h LEU 333 N 0.36 0.77 -1.22 3.80 3.38 -1.36 -3.17 115.31 117.86 1h3b h LEU 333 Ca -0.03 -0.64 0.09 0.00 0.09 0.00 0.00 57.88 57.40 1h3b h LEU 333 Cb 1.27 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1h3b h LEU 333 CO 0.13 1.44 0.57 0.58 0.09 0.00 0.00 178.44 181.24 1h3b h VAL 334 N 0.31 0.98 -0.74 1.22 2.07 -1.12 0.36 116.25 119.33 1h3b h VAL 334 Ca -0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1h3b h VAL 334 Cb 1.70 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1h3b h VAL 334 CO 0.20 0.16 0.44 0.50 0.02 0.00 0.00 177.57 178.88 1h3b h LYS 335 N 0.88 1.01 -0.05 1.57 1.63 -1.42 -0.28 116.57 119.91 1h3b h LYS 335 Ca 0.40 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.99 1h3b h LYS 335 Cb 0.38 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1h3b h LYS 335 CO -0.16 0.71 -0.43 0.00 -3.45 0.00 0.00 179.45 176.12 1h3b h ALA 336 N 1.46 0.12 -0.81 5.00 0.00 -0.72 -2.70 119.26 121.60 1h3b h ALA 336 Ca 0.27 -0.49 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1h3b h ALA 336 Cb -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1h3b h ALA 336 CO -0.05 0.26 0.46 0.78 0.00 0.00 0.00 179.25 180.70 1h3b h GLY 337 N -0.13 1.26 0.97 0.00 0.00 -0.05 0.14 103.07 105.26 1h3b h GLY 337 Ca -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1h3b h GLY 337 CO 0.09 0.11 0.24 0.83 0.00 0.00 0.00 176.54 177.81 1h3b h GLU 338 N 0.76 0.68 -0.40 4.80 4.39 -1.07 -2.62 114.58 121.12 1h3b h GLU 338 Ca 0.40 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1h3b h GLU 338 Cb 0.38 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1h3b h GLU 338 CO -0.26 0.56 0.24 2.35 -1.16 0.00 0.00 179.01 180.75 1h3b h TRP 339 N 0.63 0.53 -0.05 4.33 7.01 -0.88 -2.64 115.95 124.88 1h3b h TRP 339 Ca 0.16 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1h3b h TRP 339 Cb 0.10 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1h3b h TRP 339 CO -0.01 0.38 0.00 -0.07 -2.79 0.00 0.00 178.44 175.95 1h3b h LEU 340 N 0.53 0.06 -0.29 0.65 3.38 -0.53 -2.63 115.31 116.47 1h3b h LEU 340 Ca 0.14 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1h3b h LEU 340 Cb -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1h3b h LEU 340 CO -0.03 0.07 -0.46 -0.07 0.09 0.00 0.00 178.44 178.04 1h3b h LEU 341 N 0.07 0.92 0.00 1.67 3.38 -1.10 -2.56 115.31 117.68 1h3b h LEU 341 Ca 0.02 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1h3b h LEU 341 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1h3b h LEU 341 CO 0.00 1.26 0.00 0.47 0.09 0.00 0.00 178.44 180.26 1h3b n ASP 342 N -4.09 0.00 0.01 -0.43 8.00 -1.00 -2.49 116.55 116.55 1h3b n ASP 342 Ca -0.04 0.50 -0.05 0.00 0.71 0.00 0.00 54.79 55.90 1h3b n ASP 342 Cb 0.58 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 41.07 1h3b n ASP 342 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1h3b h ARG 343 N 0.00 0.00 -6.28 -1.24 2.47 -1.36 -3.48 114.38 104.49 1h3b h ARG 343 Ca 0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 1h3b h ARG 343 Cb 0.18 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 28.60 1h3b h ARG 343 CO 0.00 0.50 -0.10 0.94 0.56 0.00 0.00 179.97 181.87 1h3b n GLN 344 N -3.05 0.82 -3.60 0.04 7.27 -1.04 -4.78 117.38 113.05 1h3b n GLN 344 Ca -0.12 0.29 -0.36 0.00 0.07 0.00 0.00 57.00 56.87 1h3b n GLN 344 Cb 0.96 -1.54 -0.08 0.00 2.41 0.00 0.00 30.24 31.99 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 -0.93 5.33 -1.36 1.69 1.01 -0.17 -4.99 121.20 121.78 1h3b s ILE 345 Ca 0.63 0.36 0.13 0.00 0.00 0.00 0.00 60.65 61.77 1h3b s ILE 345 Cb -0.81 -3.57 0.24 0.00 0.01 0.00 0.00 42.46 38.33 1h3b s ILE 345 CO 0.58 0.36 1.11 0.35 0.00 0.00 0.00 174.94 177.33 1h3b n THR 346 N 3.99 0.51 -3.94 2.92 -2.24 -1.26 -2.93 114.28 111.32 1h3b n THR 346 Ca -0.13 -0.75 -0.23 0.00 -2.27 0.00 0.00 64.05 60.67 1h3b n THR 346 Cb 0.52 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.05 2.77 0.40 2.28 -7.23 -1.26 -4.71 120.40 111.60 1h3b s VAL 347 Ca 0.21 -1.57 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 1h3b s VAL 347 Cb 0.13 -3.01 -0.09 0.00 0.56 0.00 0.00 36.38 33.97 1h3b s VAL 347 CO 0.18 -0.08 1.06 -2.84 -0.31 0.00 0.00 175.10 173.11 1h3b s PRO 348 N -3.95 4.14 0.00 4.82 0.02 -1.26 -4.75 135.00 134.01 1h3b s PRO 348 Ca 0.42 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1h3b s PRO 348 Cb -0.01 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.96 1h3b s PRO 348 CO 0.24 -0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 1h3b n GLY 349 N 0.38 6.53 0.23 0.52 0.00 -1.26 -4.81 105.19 106.77 1h3b n GLY 349 Ca 0.05 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 44.18 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 0.35 1.61 3.32 -1.91 -2.80 116.42 116.99 1h3b h ASP 350 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 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 0.00 -0.39 4.11 -1.72 0.00 0.00 179.24 181.24 1h3b h TRP 351 N 0.00 0.07 0.00 4.55 5.08 -1.84 -2.74 115.95 121.07 1h3b h TRP 351 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.95 1h3b h TRP 351 Cb 0.56 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1h3b h TRP 351 CO 0.00 0.44 0.18 0.00 -1.28 0.00 0.00 178.44 177.78 1h3b h ALA 352 N 1.56 1.16 0.00 0.11 0.00 -1.76 -0.36 119.26 119.97 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 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1h3b h ALA 352 CO 0.05 -0.16 0.00 0.28 0.00 0.00 0.00 179.25 179.42 1h3b h VAL 353 N 0.00 0.00 0.00 0.00 2.07 -1.69 -1.09 116.25 115.54 1h3b h VAL 353 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1h3b h VAL 353 Cb 0.35 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 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 -2.50 -0.43 -2.85 1.57 4.76 -0.16 -4.76 118.16 113.80 1h3b n LYS 354 Ca -0.00 -0.60 -0.11 0.00 -2.87 0.00 0.00 58.31 54.73 1h3b n LYS 354 Cb 0.15 -0.97 0.06 0.00 -1.84 0.00 0.00 35.03 32.43 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 -0.06 1.04 0.16 1.97 5.12 -0.86 -4.99 116.66 119.03 1h3b n ARG 355 Ca 0.00 -2.41 0.18 0.00 -1.93 0.00 0.00 57.85 53.69 1h3b n ARG 355 Cb 0.05 -1.10 0.78 0.00 -1.16 0.00 0.00 32.46 31.03 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 2.87 0.00 -0.69 5.56 0.11 -1.52 -1.07 132.00 137.26 1h3b h PRO 356 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1h3b h PRO 356 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1h3b h PRO 356 CO 0.23 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.11 1h3b n ASN 357 N -3.91 4.42 -4.69 -2.05 5.03 -1.26 -4.91 115.26 107.89 1h3b n ASN 357 Ca 0.03 -2.26 -0.37 0.00 0.87 0.00 0.00 54.58 52.85 1h3b n ASN 357 Cb 0.40 -0.55 -0.07 0.00 -1.02 0.00 0.00 39.78 38.55 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 -1.49 4.19 -0.01 3.41 2.96 -0.41 -5.06 118.68 122.29 1h3b s LEU 358 Ca 0.50 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.63 1h3b s LEU 358 Cb 0.30 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1h3b s LEU 358 CO 0.28 -0.00 0.96 -0.75 -1.32 0.00 0.00 176.35 175.52 1h3b s LYS 359 N 0.96 4.55 0.35 1.98 2.20 -1.26 -5.01 119.74 123.51 1h3b s LYS 359 Ca 0.18 1.38 -0.28 0.00 -0.36 0.00 0.00 55.97 56.89 1h3b s LYS 359 Cb -0.14 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.61 1h3b s LYS 359 CO 0.07 -0.04 1.46 -1.25 -0.36 0.00 0.00 175.35 175.23 1h3b s PRO 360 N 1.00 4.16 0.00 4.03 0.04 -1.26 -4.57 135.00 138.40 1h3b s PRO 360 Ca 0.51 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1h3b s PRO 360 Cb -0.21 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1h3b s PRO 360 CO 0.27 -0.48 0.24 0.41 0.04 0.00 0.00 177.00 177.48 1h3b n GLY 361 N 0.76 -0.26 3.68 0.56 0.00 -1.15 -4.69 105.19 104.09 1h3b n GLY 361 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 2.17 3.30 -0.02 0.00 -1.25 -2.67 105.19 106.71 1h3b n GLY 362 Ca -0.07 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.45 1.57 0.50 1.61 0.40 -1.26 -1.00 117.98 117.34 1h3b s PHE 363 Ca 0.50 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 1h3b s PHE 363 Cb -0.04 -0.78 0.08 0.00 0.51 0.00 0.00 43.02 42.79 1h3b s PHE 363 CO 0.32 0.24 0.64 0.00 0.70 0.00 0.00 175.22 177.12 1h3b n ALA 364 N 0.10 1.01 -0.06 5.36 0.00 -1.26 -1.75 120.51 123.91 1h3b n ALA 364 Ca -0.12 -1.83 -0.22 0.00 0.00 0.00 0.00 53.44 51.28 1h3b n ALA 364 Cb 0.59 0.54 -0.12 0.00 0.00 0.00 0.00 19.45 20.45 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 0.18 0.18 -1.86 0.00 3.57 -1.90 -3.42 116.94 113.69 1h3b h PHE 365 Ca -0.25 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1h3b h PHE 365 Cb 1.08 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.81 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 -4.11 0.03 0.06 1.11 3.00 -1.25 -2.85 117.38 113.38 1h3b n GLN 366 Ca -0.31 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.64 1h3b n GLN 366 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 31.03 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 -0.94 -0.20 -3.50 1.08 0.04 -1.93 -3.40 116.94 108.09 1h3b h PHE 367 Ca 0.00 -0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 1h3b h PHE 367 Cb 0.00 0.07 -0.40 0.00 2.20 0.00 0.00 35.95 37.81 1h3b h PHE 367 CO 0.00 -0.12 -0.72 0.34 -0.60 0.00 0.00 178.31 177.21 1h3b s ASP 368 N -4.23 4.51 -0.45 2.17 -1.08 -1.26 -4.97 116.67 111.35 1h3b s ASP 368 Ca -0.03 -2.13 0.07 0.00 -0.52 0.00 0.00 52.55 49.93 1h3b s ASP 368 Cb 0.00 -1.42 0.23 0.00 -1.46 0.00 0.00 42.92 40.27 1h3b s ASP 368 CO 0.09 -0.37 0.68 -3.20 0.52 0.00 0.00 175.17 172.89 1h3b n ASN 369 N 4.26 -1.53 0.26 -0.34 5.15 -1.26 -3.30 115.26 118.50 1h3b n ASN 369 Ca 0.03 -2.94 0.12 0.00 -0.60 0.00 0.00 54.58 51.19 1h3b n ASN 369 Cb 0.41 0.63 0.71 0.00 -0.53 0.00 0.00 39.78 41.00 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 2.97 0.65 -0.01 3.44 -1.51 -1.96 -3.03 116.25 116.79 1h3b h VAL 370 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 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 0.35 0.12 0.00 -1.22 -1.23 0.00 0.00 177.57 175.59 1h3b n TYR 371 N -3.77 0.01 -2.95 5.19 4.01 -1.26 -4.37 117.16 114.02 1h3b n TYR 371 Ca -0.02 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1h3b n TYR 371 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.25 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 -0.48 0.81 -2.17 -0.72 4.01 -1.14 -2.98 117.16 114.49 1h3b n TYR 372 Ca 0.21 -3.41 -0.36 0.00 -0.16 0.00 0.00 57.90 54.18 1h3b n TYR 372 Cb 0.21 -0.40 0.01 0.00 -0.31 0.00 0.00 39.34 38.85 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 -2.77 3.32 0.13 -0.72 0.04 -1.26 -4.74 135.00 128.99 1h3b s PRO 373 Ca 0.36 1.74 0.11 0.00 0.04 0.00 0.00 61.00 63.24 1h3b s PRO 373 Cb 0.39 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 1h3b s PRO 373 CO -0.04 -0.90 -0.25 0.16 0.04 0.00 0.00 177.00 176.01 1h3b s ASP 374 N -1.59 3.45 0.35 6.66 1.47 -0.71 -4.70 116.67 121.59 1h3b s ASP 374 Ca 0.72 -0.70 0.04 0.00 1.18 0.00 0.00 52.55 53.78 1h3b s ASP 374 Cb -0.28 -0.29 0.65 0.00 -0.34 0.00 0.00 42.92 42.66 1h3b s ASP 374 CO 0.31 0.18 1.95 0.58 0.68 0.00 0.00 175.17 178.87 1h3b h VAL 375 N 3.81 1.17 0.36 2.11 2.07 -0.33 -2.32 116.25 123.13 1h3b h VAL 375 Ca -0.51 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1h3b h VAL 375 Cb 1.17 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1h3b h VAL 375 CO 0.41 0.20 -0.17 -0.78 0.02 0.00 0.00 177.57 177.25 1h3b h ASP 376 N 0.64 -0.41 0.39 0.57 1.82 -1.84 -1.69 116.42 115.90 1h3b h ASP 376 Ca 0.16 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1h3b h ASP 376 Cb 0.12 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1h3b h ASP 376 CO -0.02 -0.25 -0.19 0.44 -1.61 0.00 0.00 179.24 177.62 1h3b h ASP 377 N -0.54 -0.45 -0.83 2.28 3.32 -1.84 -2.21 116.42 116.15 1h3b h ASP 377 Ca -0.05 -0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.18 1h3b h ASP 377 Cb 0.41 0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.93 1h3b h ASP 377 CO 0.08 -0.28 -0.02 0.74 -1.72 0.00 0.00 179.24 178.04 1h3b h THR 378 N -0.58 0.24 -0.24 0.35 2.02 -1.40 0.56 112.91 113.85 1h3b h THR 378 Ca -0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1h3b h THR 378 Cb 0.44 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1h3b h THR 378 CO 0.09 0.01 -0.01 0.00 0.37 0.00 0.00 175.52 175.98 1h3b h ALA 379 N 1.79 0.33 -0.33 6.16 0.00 -1.17 0.23 119.26 126.28 1h3b h ALA 379 Ca 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1h3b h ALA 379 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1h3b h ALA 379 CO -0.76 0.07 0.12 0.28 0.00 0.00 0.00 179.25 178.96 1h3b h VAL 380 N 0.21 1.20 0.52 0.00 2.07 -0.37 -0.05 116.25 119.83 1h3b h VAL 380 Ca 0.07 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1h3b h VAL 380 Cb 0.43 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1h3b h VAL 380 CO 0.01 0.21 -0.25 0.58 0.02 0.00 0.00 177.57 178.15 1h3b h VAL 381 N 0.38 0.46 -0.35 2.57 2.07 0.07 0.16 116.25 121.60 1h3b h VAL 381 Ca 0.11 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1h3b h VAL 381 Cb 0.22 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1h3b h VAL 381 CO -0.01 0.03 -0.13 0.58 0.02 0.00 0.00 177.57 178.06 1h3b h VAL 382 N -0.81 0.55 -0.65 2.57 2.07 -0.92 -0.13 116.25 118.93 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 0.58 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1h3b h VAL 382 CO 0.12 0.00 0.36 -0.25 0.02 0.00 0.00 177.57 177.82 1h3b h TRP 383 N -0.06 0.66 -0.15 1.57 7.01 -0.88 -1.42 115.95 122.69 1h3b h TRP 383 Ca 0.18 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1h3b h TRP 383 Cb 0.33 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 1h3b h TRP 383 CO -0.36 0.32 -0.02 0.00 -2.79 0.00 0.00 178.44 175.58 1h3b h ALA 384 N 1.34 0.11 -0.65 2.65 0.00 0.44 -2.29 119.26 120.86 1h3b h ALA 384 Ca 0.29 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.34 1h3b h ALA 384 Cb 0.18 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1h3b h ALA 384 CO -0.18 -0.47 0.30 -0.07 0.00 0.00 0.00 179.25 178.83 1h3b h LEU 385 N 0.02 0.37 0.00 0.00 3.38 -0.46 -0.26 115.31 118.36 1h3b h LEU 385 Ca 0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h3b h LEU 385 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1h3b h LEU 385 CO -0.14 0.22 0.01 -3.20 0.09 0.00 0.00 178.44 175.42 1h3b n ASN 386 N -4.91 0.00 -0.52 -0.43 5.15 -0.59 -0.40 115.26 113.56 1h3b n ASN 386 Ca 0.09 0.27 0.05 0.00 -0.60 0.00 0.00 54.58 54.39 1h3b n ASN 386 Cb 0.26 -0.27 0.11 0.00 -0.53 0.00 0.00 39.78 39.35 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 -1.26 0.80 -4.36 -0.44 -2.24 -0.11 -5.01 114.28 101.67 1h3b n THR 387 Ca 0.00 -0.90 -0.26 0.00 -2.27 0.00 0.00 64.05 60.62 1h3b n THR 387 Cb 0.01 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.96 2.81 -0.41 3.22 1.43 0.46 -4.61 118.68 120.62 1h3b s LEU 388 Ca 0.18 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1h3b s LEU 388 Cb 0.10 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.99 1h3b s LEU 388 CO 0.13 0.08 0.17 -0.13 0.23 0.00 0.00 176.35 176.83 1h3b s ARG 389 N -3.08 1.84 0.25 1.70 1.81 0.58 -4.99 118.95 117.07 1h3b s ARG 389 Ca 0.26 -1.98 0.05 0.00 -1.72 0.00 0.00 55.73 52.34 1h3b s ARG 389 Cb -0.07 -3.43 -0.03 0.00 -0.45 0.00 0.00 34.95 30.97 1h3b s ARG 389 CO 0.15 -1.03 0.38 -0.51 -0.68 0.00 0.00 175.30 173.60 1h3b s LEU 390 N 0.81 4.27 0.07 2.53 1.43 -1.26 -4.48 118.68 122.05 1h3b s LEU 390 Ca 0.11 0.07 -0.37 0.00 -1.03 0.00 0.00 54.13 52.92 1h3b s LEU 390 Cb -0.21 -2.88 -0.19 0.00 0.03 0.00 0.00 46.19 42.94 1h3b s LEU 390 CO -0.05 -0.11 1.57 -0.65 0.23 0.00 0.00 176.35 177.34 1h3b h PRO 391 N 1.12 -1.11 -5.05 1.29 0.11 -1.98 -3.28 132.00 123.10 1h3b h PRO 391 Ca -0.51 0.08 -0.64 0.00 0.11 0.00 0.00 66.00 65.03 1h3b h PRO 391 Cb 1.23 0.25 -0.05 0.00 0.11 0.00 0.00 31.00 32.55 1h3b h PRO 391 CO 0.60 -0.74 2.37 -3.47 -0.21 0.00 0.00 178.00 176.55 1h3b n ASP 392 N -5.61 4.08 0.30 -2.05 -0.08 -1.26 -4.76 116.55 107.17 1h3b n ASP 392 Ca -0.14 -2.84 0.19 0.00 -1.51 0.00 0.00 54.79 50.49 1h3b n ASP 392 Cb 0.49 -1.65 1.03 0.00 2.34 0.00 0.00 41.12 43.33 1h3b n ASP 392 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1h3b h GLU 393 N 7.37 0.00 0.00 -0.67 4.39 -2.00 -0.61 114.58 123.06 1h3b h GLU 393 Ca 0.46 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 1h3b h GLU 393 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1h3b h GLU 393 CO 1.62 0.00 -0.92 -0.09 -1.16 0.00 0.00 179.01 178.46 1h3b h ARG 394 N 0.00 0.00 0.12 2.33 2.43 -1.93 -2.24 114.38 115.09 1h3b h ARG 394 Ca 0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1h3b h ARG 394 Cb 0.06 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1h3b h ARG 394 CO 0.00 0.11 -0.86 -0.09 -1.51 0.00 0.00 179.97 177.62 1h3b h ARG 395 N 0.00 0.37 -0.32 0.20 2.43 -1.53 -0.76 114.38 114.77 1h3b h ARG 395 Ca -0.04 -0.56 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1h3b h ARG 395 Cb 1.17 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1h3b h ARG 395 CO 0.02 1.24 0.14 -0.09 -1.51 0.00 0.00 179.97 179.77 1h3b h ARG 396 N -0.21 0.47 -0.45 0.20 2.43 -1.48 0.31 114.38 115.65 1h3b h ARG 396 Ca -0.14 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1h3b h ARG 396 Cb 1.63 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 1h3b h ARG 396 CO 0.16 0.46 0.19 -0.09 -1.51 0.00 0.00 179.97 179.18 1h3b h ARG 397 N 0.38 0.64 0.01 0.20 9.65 -1.45 -2.06 114.38 121.74 1h3b h ARG 397 Ca 0.11 -0.08 -0.13 0.00 -1.10 0.00 0.00 59.98 58.77 1h3b h ARG 397 Cb 0.16 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1h3b h ARG 397 CO -0.01 0.52 -0.52 0.22 2.80 0.00 0.00 179.97 182.98 1h3b h ASP 398 N 0.64 0.44 0.37 -3.80 3.58 -0.45 -3.14 116.42 114.07 1h3b h ASP 398 Ca 0.16 -0.78 -0.00 0.00 0.42 0.00 0.00 57.03 56.82 1h3b h ASP 398 Cb 0.12 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1h3b h ASP 398 CO -0.02 1.17 -0.43 0.00 -2.88 0.00 0.00 179.24 177.08 1h3b h ALA 399 N 0.28 -0.91 -0.88 -0.78 0.00 -0.25 -2.26 119.26 114.46 1h3b h ALA 399 Ca -0.07 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 54.94 1h3b h ALA 399 Cb 1.26 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 19.54 1h3b h ALA 399 CO 0.10 -1.06 0.27 0.52 0.00 0.00 0.00 179.25 179.09 1h3b h MET 400 N -0.83 0.24 -0.08 0.00 2.86 -1.49 -0.37 114.93 115.25 1h3b h MET 400 Ca -0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1h3b h MET 400 Cb 0.75 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1h3b h MET 400 CO -0.10 0.16 0.04 1.15 1.06 0.00 0.00 176.91 179.22 1h3b h THR 401 N 0.24 1.10 -0.28 2.22 2.02 -1.38 0.81 112.91 117.66 1h3b h THR 401 Ca 0.56 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1h3b h THR 401 Cb 1.12 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1h3b h THR 401 CO -0.63 0.09 0.18 0.11 0.37 0.00 0.00 175.52 175.64 1h3b h LYS 402 N 0.01 0.35 0.25 6.66 1.57 -0.69 0.95 116.57 125.67 1h3b h LYS 402 Ca 0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1h3b h LYS 402 Cb 0.11 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1h3b h LYS 402 CO -0.00 0.23 -0.13 0.78 -0.57 0.00 0.00 179.45 179.76 1h3b h GLY 403 N 0.36 -0.36 0.02 3.86 0.00 -0.89 -0.53 103.07 105.54 1h3b h GLY 403 Ca 0.10 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1h3b h GLY 403 CO -0.03 -0.13 -0.46 -2.75 0.00 0.00 0.00 176.54 173.17 1h3b h PHE 404 N -0.34 -1.35 -0.95 5.60 3.04 0.94 -1.48 116.94 122.41 1h3b h PHE 404 Ca -0.03 0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.13 1h3b h PHE 404 Cb 0.27 0.58 -0.08 0.00 2.56 0.00 0.00 35.95 39.28 1h3b h PHE 404 CO -0.07 -0.50 0.60 0.00 -2.02 0.00 0.00 178.31 176.33 1h3b h ARG 405 N -0.59 0.68 -0.07 1.11 3.08 -0.72 -1.09 114.38 116.78 1h3b h ARG 405 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1h3b h ARG 405 Cb 0.63 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1h3b h ARG 405 CO -0.29 0.45 0.01 2.35 -1.07 0.00 0.00 179.97 181.42 1h3b h TRP 406 N 0.70 0.12 -0.40 3.04 7.01 -0.57 -0.46 115.95 125.40 1h3b h TRP 406 Ca 0.50 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.56 1h3b h TRP 406 Cb 0.84 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.81 1h3b h TRP 406 CO -0.00 0.33 0.02 0.82 -2.79 0.00 0.00 178.44 176.82 1h3b h ILE 407 N -0.12 0.72 -0.68 2.65 2.04 -0.44 -0.18 117.51 121.49 1h3b h ILE 407 Ca 0.02 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1h3b h ILE 407 Cb 0.28 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1h3b h ILE 407 CO 0.00 0.02 0.40 0.58 0.00 0.00 0.00 178.15 179.15 1h3b h VAL 408 N 0.13 1.01 0.00 1.67 2.07 -1.01 -0.95 116.25 119.17 1h3b h VAL 408 Ca 0.20 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1h3b h VAL 408 Cb 0.27 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1h3b h VAL 408 CO -0.31 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.03 1h3b n GLY 409 N -1.29 -1.21 0.02 2.17 0.00 -0.20 -2.62 105.19 102.06 1h3b n GLY 409 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.73 0.16 -1.64 1.61 2.00 -0.20 -4.95 117.12 112.37 1h3b n MET 410 Ca 0.04 0.01 -0.47 0.00 0.00 0.00 0.00 57.70 57.28 1h3b n MET 410 Cb 0.24 -1.56 -0.04 0.00 0.00 0.00 0.00 33.22 31.85 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 -1.78 1.80 -2.20 0.03 7.27 -1.06 -4.65 117.38 116.79 1h3b n GLN 411 Ca 0.03 0.65 -0.27 0.00 0.07 0.00 0.00 57.00 57.48 1h3b n GLN 411 Cb 0.39 -2.32 0.13 0.00 2.41 0.00 0.00 30.24 30.85 1h3b n GLN 411 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1h3b s SER 412 N 0.53 3.94 0.16 1.69 0.01 -0.68 -4.93 113.70 114.43 1h3b s SER 412 Ca 0.76 0.12 -0.16 0.00 1.31 0.00 0.00 55.95 57.98 1h3b s SER 412 Cb -0.74 -0.43 0.09 0.00 0.21 0.00 0.00 66.02 65.14 1h3b s SER 412 CO 0.45 -2.17 1.71 0.28 0.41 0.00 0.00 173.24 173.92 1h3b h SER 413 N -1.03 -0.10 0.13 2.44 0.02 -1.93 -2.32 113.55 110.76 1h3b h SER 413 Ca -0.42 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1h3b h SER 413 Cb 1.27 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1h3b h SER 413 CO 0.45 -0.01 0.00 -0.46 -1.14 0.00 0.00 176.83 175.66 1h3b n ASN 414 N -5.16 0.00 0.00 3.07 0.23 -1.26 -4.83 115.26 107.31 1h3b n ASN 414 Ca 0.02 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.83 1h3b n ASN 414 Cb 0.18 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.03 0.66 3.00 4.83 0.00 -0.87 -4.44 105.19 108.35 1h3b n GLY 415 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 2.59 3.19 -0.02 0.00 -1.26 -3.19 105.19 104.49 1h3b n GLY 416 Ca 0.00 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.49 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 -2.06 1.87 0.00 1.61 0.51 -1.26 -1.68 118.94 117.93 1h3b s TRP 417 Ca 0.30 -0.47 0.00 0.00 -2.12 0.00 0.00 56.10 53.81 1h3b s TRP 417 Cb -0.02 -1.23 0.00 0.00 -0.81 0.00 0.00 33.47 31.41 1h3b s TRP 417 CO 0.19 -0.12 0.00 0.41 -0.51 0.00 0.00 176.95 176.92 1h3b n GLY 418 N 2.89 0.02 0.11 0.98 0.00 -1.26 -1.93 105.19 105.99 1h3b n GLY 418 Ca -0.17 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 0.83 -0.05 4.61 0.00 -1.26 -4.56 120.51 117.07 1h3b n ALA 419 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 53.44 52.73 1h3b n ALA 419 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 -4.43 0.00 -4.61 0.00 4.01 -1.26 0.37 117.16 111.24 1h3b n TYR 420 Ca -0.31 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.15 1h3b n TYR 420 Cb 0.64 -0.46 -0.09 0.00 -0.31 0.00 0.00 39.34 39.12 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 -4.47 3.35 -0.12 7.72 1.01 -1.26 -4.71 116.67 118.20 1h3b s ASP 421 Ca -0.08 -1.57 -0.04 0.00 0.71 0.00 0.00 52.55 51.56 1h3b s ASP 421 Cb 0.03 0.28 -0.04 0.00 1.01 0.00 0.00 42.92 44.21 1h3b s ASP 421 CO 0.35 -0.78 0.03 -0.69 0.21 0.00 0.00 175.17 174.29 1h3b s VAL 422 N -3.03 4.58 -1.82 -1.27 1.01 -1.26 -4.24 120.40 114.37 1h3b s VAL 422 Ca 0.21 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1h3b s VAL 422 Cb 0.04 -2.97 0.19 0.00 0.00 0.00 0.00 36.38 33.65 1h3b s VAL 422 CO 0.11 0.57 0.54 0.47 0.00 0.00 0.00 175.10 176.79 1h3b n ASP 423 N 2.51 -1.60 -3.46 3.32 8.00 -1.26 -4.74 116.55 119.33 1h3b n ASP 423 Ca -0.18 -1.22 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 1h3b n ASP 423 Cb 0.53 -1.75 -0.01 0.00 -0.02 0.00 0.00 41.12 39.87 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 7.84 -1.07 -2.24 2.85 -1.26 -4.45 115.26 114.39 1h3b n ASN 424 Ca 0.05 -2.88 0.08 0.00 -0.11 0.00 0.00 54.58 51.72 1h3b n ASN 424 Cb 0.49 -1.47 0.27 0.00 1.24 0.00 0.00 39.78 40.31 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 2.86 2.04 -0.66 -0.44 -2.24 -1.26 -2.81 114.28 111.77 1h3b n THR 425 Ca 0.67 -1.56 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 1h3b n THR 425 Cb 0.26 -0.06 0.17 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.06 -0.36 -0.00 3.42 2.88 -1.26 -4.95 113.62 113.40 1h3b n SER 426 Ca 0.21 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1h3b n SER 426 Cb 0.84 -1.40 -0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 -3.84 4.96 -0.20 -3.46 2.03 -1.26 -4.78 116.55 109.99 1h3b n ASP 427 Ca 0.10 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.39 1h3b n ASP 427 Cb 0.53 0.79 0.05 0.00 -0.72 0.00 0.00 41.12 41.76 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 -0.69 -1.58 -2.67 3.38 -1.97 -1.55 115.31 110.22 1h3b h LEU 428 Ca -0.00 0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1h3b h LEU 428 Cb 0.45 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1h3b h LEU 428 CO 0.00 -0.23 0.45 1.55 0.09 0.00 0.00 178.44 180.30 1h3b h PRO 429 N -0.04 0.43 0.00 1.13 0.13 -1.90 -2.25 132.00 129.50 1h3b h PRO 429 Ca 0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1h3b h PRO 429 Cb 0.48 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1h3b h PRO 429 CO -0.64 0.29 0.00 0.09 -0.23 0.00 0.00 178.00 177.50 1h3b n ASN 430 N -4.48 0.00 -0.00 1.44 3.02 -0.58 -2.91 115.26 111.75 1h3b n ASN 430 Ca 0.12 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1h3b n ASN 430 Cb 0.42 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.56 0.00 -1.74 3.10 8.25 -0.85 -1.24 115.22 122.19 1h3b n HIS 431 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 1h3b n HIS 431 Cb 0.00 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.15 1h3b n HIS 431 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1h3b n ILE 432 N -1.67 4.05 -0.17 1.59 -5.35 -1.14 -4.51 119.36 112.16 1h3b n ILE 432 Ca -0.00 -0.50 -0.07 0.00 -0.27 0.00 0.00 62.75 61.91 1h3b n ILE 432 Cb 0.17 -1.63 -0.01 0.00 -1.74 0.00 0.00 39.64 36.44 1h3b n ILE 432 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1h3b h PRO 433 N 1.25 -0.20 -0.88 6.28 0.11 -1.92 -2.73 132.00 133.91 1h3b h PRO 433 Ca -0.51 0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.83 1h3b h PRO 433 Cb 1.31 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.34 1h3b h PRO 433 CO 0.56 -0.13 0.35 0.35 -0.21 0.00 0.00 178.00 178.92 1h3b h PHE 434 N -0.21 0.58 -1.13 0.65 3.57 -1.88 -3.35 116.94 115.17 1h3b h PHE 434 Ca 0.20 0.04 -0.69 0.00 3.53 0.00 0.00 57.97 61.05 1h3b h PHE 434 Cb 0.55 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 39.07 1h3b h PHE 434 CO -0.61 -0.07 2.04 0.00 -2.23 0.00 0.00 178.31 177.45 1h3b n ASP 436 N 7.69 2.87 -3.72 0.00 5.75 -1.26 -2.15 116.55 125.72 1h3b n ASP 436 Ca 0.46 -2.87 -0.25 0.00 -0.01 0.00 0.00 54.79 52.12 1h3b n ASP 436 Cb 0.45 -0.41 -0.17 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.53 0.70 0.00 2.11 2.19 -1.26 -4.76 117.98 114.43 1h3b s PHE 437 Ca 0.31 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 57.14 1h3b s PHE 437 Cb 0.26 -0.85 0.00 0.00 -1.31 0.00 0.00 43.02 41.12 1h3b s PHE 437 CO 0.06 -0.46 0.00 0.41 1.83 0.00 0.00 175.22 177.06 1h3b n GLY 438 N 5.14 -0.00 3.81 13.12 0.00 -1.26 -4.83 105.19 121.17 1h3b n GLY 438 Ca -0.08 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 4.09 0.00 1.61 0.41 -1.26 -4.93 118.70 118.61 1h3b s GLU 439 Ca 0.00 1.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 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 -0.16 0.00 0.28 -0.49 0.00 0.00 175.26 174.89 1h3b n VAL 440 N -0.79 0.00 -4.42 2.63 0.31 -1.26 -4.90 118.33 109.90 1h3b n VAL 440 Ca 0.08 -0.27 -0.21 0.00 -0.01 0.00 0.00 64.34 63.92 1h3b n VAL 440 Cb 0.54 0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 34.19 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 -0.94 1.53 -0.62 2.52 -4.23 -1.26 -0.04 115.64 112.60 1h3b s THR 441 Ca 0.00 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1h3b s THR 441 Cb 0.00 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.56 1h3b s THR 441 CO 0.00 -0.26 0.59 -0.67 -0.54 0.00 0.00 174.62 173.73 1h3b n ASP 442 N -0.59 2.67 -4.88 3.99 2.03 -1.12 -4.72 116.55 113.93 1h3b n ASP 442 Ca -0.05 -3.17 -0.30 0.00 0.52 0.00 0.00 54.79 51.79 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 -1.70 3.46 0.51 -0.67 0.04 -1.12 -4.05 135.00 131.47 1h3b s PRO 443 Ca 0.33 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 1h3b s PRO 443 Cb 0.07 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1h3b s PRO 443 CO -0.10 -0.55 1.05 -2.30 0.04 0.00 0.00 177.00 175.14 1h3b n PRO 444 N -2.67 1.26 -4.26 0.56 -0.02 -1.26 -4.57 135.00 124.04 1h3b n PRO 444 Ca 0.05 0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 61.81 1h3b n PRO 444 Cb 0.55 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.95 2.12 0.11 2.55 1.04 -0.81 -4.89 113.70 112.87 1h3b s SER 445 Ca 0.69 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 1h3b s SER 445 Cb -0.47 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 1h3b s SER 445 CO 0.52 -0.14 1.60 -0.33 0.98 0.00 0.00 173.24 175.87 1h3b h GLU 446 N 3.38 0.55 -0.32 4.02 3.07 -1.88 -2.21 114.58 121.17 1h3b h GLU 446 Ca -0.40 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 1h3b h GLU 446 Cb 1.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1h3b h GLU 446 CO 0.52 0.61 0.14 0.38 -1.40 0.00 0.00 179.01 179.26 1h3b h ASP 447 N 0.39 0.44 0.06 1.42 2.03 -1.89 0.19 116.42 119.05 1h3b h ASP 447 Ca 0.10 -0.15 -0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1h3b h ASP 447 Cb 0.32 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1h3b h ASP 447 CO 0.00 0.47 -0.03 0.58 -1.03 0.00 0.00 179.24 179.23 1h3b h VAL 448 N 0.38 1.06 -1.00 4.15 2.07 -1.85 -1.98 116.25 119.09 1h3b h VAL 448 Ca 0.11 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 67.39 1h3b h VAL 448 Cb 0.16 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 1h3b h VAL 448 CO -0.01 0.10 0.62 0.74 0.02 0.00 0.00 177.57 179.04 1h3b h THR 449 N -0.25 0.83 -0.12 2.57 2.02 -1.31 -0.88 112.91 115.78 1h3b h THR 449 Ca -0.01 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1h3b h THR 449 Cb 0.22 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1h3b h THR 449 CO 0.01 0.16 0.04 0.00 0.37 0.00 0.00 175.52 176.11 1h3b h ALA 450 N 1.58 0.16 -0.78 6.16 0.00 -0.64 -1.76 119.26 123.98 1h3b h ALA 450 Ca 0.53 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1h3b h ALA 450 Cb 0.67 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1h3b h ALA 450 CO -0.30 -0.25 0.52 0.45 0.00 0.00 0.00 179.25 179.66 1h3b h HIS 451 N 0.03 0.97 -0.35 0.00 3.86 -0.57 -0.91 115.15 118.18 1h3b h HIS 451 Ca 0.04 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1h3b h HIS 451 Cb 0.19 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1h3b h HIS 451 CO -0.01 0.60 0.18 0.28 0.86 0.00 0.00 177.93 179.84 1h3b h VAL 452 N 1.04 0.98 -0.09 2.45 2.07 -1.01 -0.30 116.25 121.41 1h3b h VAL 452 Ca 0.29 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.71 1h3b h VAL 452 Cb -0.10 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1h3b h VAL 452 CO -0.07 0.07 -0.03 -0.07 0.02 0.00 0.00 177.57 177.48 1h3b h LEU 453 N 0.36 -0.11 -1.62 2.57 3.38 -0.62 -1.15 115.31 118.13 1h3b h LEU 453 Ca 0.15 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1h3b h LEU 453 Cb 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1h3b h LEU 453 CO -0.10 -0.04 -0.13 -0.08 0.09 0.00 0.00 178.44 178.18 1h3b h GLU 454 N -0.02 0.09 0.68 1.13 4.81 -0.90 0.20 114.58 120.58 1h3b h GLU 454 Ca 0.05 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1h3b h GLU 454 Cb 0.08 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1h3b h GLU 454 CO -0.10 0.22 -0.33 0.00 -0.73 0.00 0.00 179.01 178.07 1h3b h PHE 456 N -1.04 0.67 -1.00 0.00 0.04 -0.77 -1.63 116.94 113.21 1h3b h PHE 456 Ca -0.09 0.03 0.22 0.00 2.80 0.00 0.00 57.97 60.93 1h3b h PHE 456 Cb 0.73 -0.19 -0.10 0.00 2.20 0.00 0.00 35.95 38.60 1h3b h PHE 456 CO -0.01 0.23 0.62 0.78 -0.60 0.00 0.00 178.31 179.34 1h3b h GLY 457 N 0.62 1.47 1.50 -1.45 0.00 -0.31 0.90 103.07 105.79 1h3b h GLY 457 Ca 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1h3b h GLY 457 CO -0.28 -0.10 0.23 1.48 0.00 0.00 0.00 176.54 177.87 1h3b h SER 458 N 0.57 0.58 0.47 0.19 4.64 -0.71 -0.73 113.55 118.56 1h3b h SER 458 Ca 0.57 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1h3b h SER 458 Cb 1.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1h3b h SER 458 CO -0.33 0.50 0.00 0.49 -0.87 0.00 0.00 176.83 176.62 1h3b n PHE 459 N -4.39 0.00 0.00 4.77 3.72 0.30 -4.88 117.46 116.98 1h3b n PHE 459 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1h3b n PHE 459 Cb 0.12 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 0.54 3.06 3.61 1.37 0.00 -0.28 -5.07 105.19 108.42 1h3b n GLY 460 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.50 0.56 -2.70 1.61 4.02 -1.22 -4.98 117.16 112.95 1h3b n TYR 461 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 1h3b n TYR 461 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 39.34 37.27 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 -2.14 0.00 0.10 7.72 5.68 -1.26 -4.39 116.55 122.26 1h3b n ASP 462 Ca 0.12 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.51 1h3b n ASP 462 Cb 0.50 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.90 1h3b n ASP 462 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1h3b n ASP 463 N 0.00 0.43 -0.04 -1.12 2.03 -1.02 -2.80 116.55 114.04 1h3b n ASP 463 Ca 0.00 0.63 -0.15 0.00 0.52 0.00 0.00 54.79 55.79 1h3b n ASP 463 Cb 0.00 -0.72 -0.04 0.00 -0.72 0.00 0.00 41.12 39.65 1h3b n ASP 463 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h3b h ALA 464 N 2.24 0.44 -2.48 -1.67 0.00 -1.96 -3.40 119.26 112.43 1h3b h ALA 464 Ca 0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 54.91 53.82 1h3b h ALA 464 Cb 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1h3b h ALA 464 CO 0.00 0.69 0.88 -0.46 0.00 0.00 0.00 179.25 180.36 1h3b s TRP 465 N -3.93 2.80 0.33 0.00 -0.00 -1.12 -4.91 118.94 112.12 1h3b s TRP 465 Ca -0.10 0.62 0.10 0.00 -0.00 0.00 0.00 56.10 56.72 1h3b s TRP 465 Cb 0.10 -3.83 0.87 0.00 -0.00 0.00 0.00 33.47 30.60 1h3b s TRP 465 CO 0.89 -3.16 1.77 -0.22 -0.00 0.00 0.00 176.95 176.23 1h3b h LYS 466 N 7.63 0.61 -0.38 5.86 3.64 -1.89 -2.14 116.57 129.90 1h3b h LYS 466 Ca -0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1h3b h LYS 466 Cb 1.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1h3b h LYS 466 CO 0.91 0.40 0.25 0.28 -2.27 0.00 0.00 179.45 179.02 1h3b h VAL 467 N 0.63 1.10 -0.28 2.00 2.07 -1.94 -1.74 116.25 118.10 1h3b h VAL 467 Ca 0.59 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.89 1h3b h VAL 467 Cb 1.11 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1h3b h VAL 467 CO -0.37 0.10 0.11 0.40 0.02 0.00 0.00 177.57 177.83 1h3b h ILE 468 N 0.52 1.18 -0.02 4.57 1.08 -1.66 -2.86 117.51 120.31 1h3b h ILE 468 Ca 0.14 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 64.10 1h3b h ILE 468 Cb -0.05 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1h3b h ILE 468 CO -0.03 0.19 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.31 1h3b h ARG 469 N 0.30 -0.32 -0.99 2.37 2.43 -1.18 0.16 114.38 117.16 1h3b h ARG 469 Ca 0.09 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.47 1h3b h ARG 469 Cb 0.19 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 1h3b h ARG 469 CO -0.01 -0.21 0.61 0.00 -1.51 0.00 0.00 179.97 178.86 1h3b h ARG 470 N -0.33 0.69 0.05 0.20 3.08 -1.31 0.19 114.38 116.95 1h3b h ARG 470 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1h3b h ARG 470 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h3b h ARG 470 CO -0.21 0.46 -0.02 0.00 -1.07 0.00 0.00 179.97 179.12 1h3b h ALA 471 N 1.63 -0.07 -0.92 0.04 0.00 -0.99 -2.18 119.26 116.77 1h3b h ALA 471 Ca 0.55 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1h3b h ALA 471 Cb 0.92 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1h3b h ALA 471 CO -0.32 -0.36 0.60 0.28 0.00 0.00 0.00 179.25 179.45 1h3b h VAL 472 N -0.43 1.18 -0.90 0.00 2.07 0.35 -0.72 116.25 117.81 1h3b h VAL 472 Ca -0.01 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1h3b h VAL 472 Cb 0.39 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 1h3b h VAL 472 CO 0.01 0.22 0.59 -0.33 0.02 0.00 0.00 177.57 178.08 1h3b h GLU 473 N 1.19 1.16 0.20 1.57 4.39 -0.61 -0.13 114.58 122.35 1h3b h GLU 473 Ca 0.36 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1h3b h GLU 473 Cb -0.04 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 1h3b h GLU 473 CO -0.11 0.77 -0.19 -0.92 -1.16 0.00 0.00 179.01 177.40 1h3b h TYR 474 N 1.20 -0.51 -0.97 4.33 3.20 -0.52 -1.33 116.97 122.36 1h3b h TYR 474 Ca 0.33 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.25 1h3b h TYR 474 Cb -0.11 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1h3b h TYR 474 CO -0.01 -0.29 0.63 -0.07 -1.64 0.00 0.00 178.16 176.78 1h3b h LEU 475 N -0.42 1.05 -0.50 2.82 3.38 -0.80 -1.10 115.31 119.74 1h3b h LEU 475 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1h3b h LEU 475 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1h3b h LEU 475 CO -0.04 0.72 0.32 0.11 0.09 0.00 0.00 178.44 179.64 1h3b h LYS 476 N 1.22 0.64 0.00 1.13 1.57 -0.64 -1.50 116.57 118.99 1h3b h LYS 476 Ca 0.39 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1h3b h LYS 476 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1h3b h LYS 476 CO -0.13 0.42 -0.34 0.00 -0.57 0.00 0.00 179.45 178.84 1h3b h ARG 477 N 0.66 0.00 0.00 3.15 3.08 -0.67 -3.12 114.38 117.47 1h3b h ARG 477 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1h3b h ARG 477 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h3b h ARG 477 CO -0.05 0.34 -0.57 0.93 -1.07 0.00 0.00 179.97 179.54 1h3b h GLU 478 N 0.00 0.00 -6.43 0.04 4.39 -0.69 -3.47 114.58 108.42 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 0.77 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.57 1h3b h GLU 478 CO 0.04 0.00 -0.28 0.94 -1.16 0.00 0.00 179.01 178.55 1h3b n GLN 479 N -2.43 0.71 -3.00 2.33 7.27 -0.61 -4.85 117.38 116.80 1h3b n GLN 479 Ca 0.03 0.26 -0.29 0.00 0.07 0.00 0.00 57.00 57.06 1h3b n GLN 479 Cb 0.48 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 31.45 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 -1.77 3.71 0.29 3.69 -0.14 0.13 -4.95 119.74 120.70 1h3b s LYS 480 Ca 0.64 0.29 -0.05 0.00 -1.36 0.00 0.00 55.97 55.50 1h3b s LYS 480 Cb -0.56 -2.48 0.55 0.00 -1.68 0.00 0.00 37.83 33.66 1h3b s LYS 480 CO 0.57 0.04 1.56 -2.30 -0.76 0.00 0.00 175.35 174.45 1h3b n PRO 481 N -1.24 -0.09 -0.03 -1.68 -0.02 -1.26 0.74 135.00 131.43 1h3b n PRO 481 Ca 0.01 1.54 0.00 0.00 -2.02 0.00 0.00 63.50 63.03 1h3b n PRO 481 Cb 0.54 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1h3b n PRO 481 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1h3b n ASP 482 N -5.58 1.07 -0.39 2.55 5.75 -1.26 -4.83 116.55 113.86 1h3b n ASP 482 Ca 0.18 -2.03 -0.05 0.00 -0.01 0.00 0.00 54.79 52.89 1h3b n ASP 482 Cb 0.58 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.06 0.73 3.96 6.12 0.00 0.23 -4.71 105.19 111.58 1h3b n GLY 483 Ca 0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.52 5.55 -0.07 1.61 1.04 -1.23 -3.88 113.70 114.20 1h3b s SER 484 Ca 0.00 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 55.99 1h3b s SER 484 Cb 0.00 -0.77 0.01 0.00 0.10 0.00 0.00 66.02 65.37 1h3b s SER 484 CO 0.00 -0.64 -0.12 0.26 0.98 0.00 0.00 173.24 173.72 1h3b s TRP 485 N -2.34 1.44 0.54 5.02 0.51 -1.26 0.20 118.94 123.05 1h3b s TRP 485 Ca 0.51 -0.54 -0.20 0.00 -2.12 0.00 0.00 56.10 53.74 1h3b s TRP 485 Cb -0.08 -1.07 -0.07 0.00 -0.81 0.00 0.00 33.47 31.43 1h3b s TRP 485 CO 0.31 -0.29 0.90 0.34 -0.51 0.00 0.00 176.95 177.70 1h3b n PHE 486 N 3.89 0.66 -3.72 -1.98 7.35 -1.26 -3.04 117.46 119.36 1h3b n PHE 486 Ca -0.22 0.48 -0.37 0.00 -0.76 0.00 0.00 57.45 56.57 1h3b n PHE 486 Cb 0.52 -2.14 -0.11 0.00 0.35 0.00 0.00 39.48 38.11 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 -1.06 2.08 -0.02 7.13 0.00 -0.95 -4.29 107.32 110.22 1h3b s GLY 487 Ca 0.70 -2.65 -0.25 0.00 0.00 0.00 0.00 44.72 42.52 1h3b s GLY 487 CO 0.52 1.06 1.25 -0.09 0.00 0.00 0.00 173.10 175.83 1h3b h ARG 488 N 7.99 -0.06 -0.43 2.90 9.65 -1.94 -3.34 114.38 129.15 1h3b h ARG 488 Ca -0.13 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1h3b h ARG 488 Cb 1.04 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 1h3b h ARG 488 CO 0.73 0.38 0.03 0.91 2.80 0.00 0.00 179.97 184.83 1h3b n TRP 489 N -4.90 1.54 -3.64 2.20 7.02 -1.26 -4.66 117.44 113.74 1h3b n TRP 489 Ca -0.08 -0.92 -0.05 0.00 -1.02 0.00 0.00 57.50 55.43 1h3b n TRP 489 Cb 0.24 -0.44 -0.07 0.00 -2.42 0.00 0.00 31.31 28.62 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 -1.48 -0.16 -0.49 6.99 0.00 -1.25 -3.12 107.32 107.80 1h3b s GLY 490 Ca 0.48 2.86 -0.27 0.00 0.00 0.00 0.00 44.72 47.79 1h3b s GLY 490 CO 0.11 2.33 1.76 0.14 0.00 0.00 0.00 173.10 177.44 1h3b s VAL 491 N 1.05 3.49 0.00 1.40 1.01 0.56 -4.48 120.40 123.43 1h3b s VAL 491 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1h3b s VAL 491 Cb -0.04 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1h3b s VAL 491 CO -0.13 -0.75 0.00 -3.20 0.00 0.00 0.00 175.10 171.02 1h3b n ASN 492 N 11.27 0.00 0.18 3.32 2.85 -1.26 -4.49 115.26 127.13 1h3b n ASN 492 Ca 0.20 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.71 1h3b n ASN 492 Cb 0.50 0.00 0.32 0.00 1.24 0.00 0.00 39.78 41.84 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 -0.04 1.20 0.05 -1.84 -0.43 116.97 115.91 1h3b h TYR 493 Ca 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 1h3b h TYR 493 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h3b h TYR 493 CO 0.00 0.42 -0.86 -0.07 -1.05 0.00 0.00 178.16 176.61 1h3b h LEU 494 N 0.00 0.56 -0.17 3.88 3.38 -1.86 -1.26 115.31 119.84 1h3b h LEU 494 Ca -0.00 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1h3b h LEU 494 Cb 0.86 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1h3b h LEU 494 CO 0.06 1.19 -0.03 0.22 0.09 0.00 0.00 178.44 179.96 1h3b h TYR 495 N 0.27 0.35 0.00 1.13 3.20 -1.68 -0.66 116.97 119.59 1h3b h TYR 495 Ca -0.06 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 1h3b h TYR 495 Cb 1.47 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1h3b h TYR 495 CO 0.06 0.57 -0.00 0.78 -1.64 0.00 0.00 178.16 177.93 1h3b h GLY 496 N 0.03 -0.01 0.81 1.82 0.00 -1.14 -2.00 103.07 102.59 1h3b h GLY 496 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1h3b h GLY 496 CO 0.01 -0.00 0.49 -0.84 0.00 0.00 0.00 176.54 176.20 1h3b h THR 497 N -0.58 1.07 -0.30 4.70 2.02 -1.14 0.13 112.91 118.81 1h3b h THR 497 Ca -0.00 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1h3b h THR 497 Cb 0.57 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1h3b h THR 497 CO 0.00 0.17 0.11 1.23 0.37 0.00 0.00 175.52 177.40 1h3b h GLY 498 N 0.93 0.38 0.84 2.16 0.00 -1.12 -1.96 103.07 104.30 1h3b h GLY 498 Ca 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1h3b h GLY 498 CO -0.14 0.04 -0.19 0.00 0.00 0.00 0.00 176.54 176.25 1h3b h ALA 499 N 1.19 -0.54 -0.15 3.60 0.00 -0.51 -2.48 119.26 120.37 1h3b h ALA 499 Ca 0.13 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1h3b h ALA 499 Cb 0.10 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1h3b h ALA 499 CO -0.13 -0.72 -0.29 0.28 0.00 0.00 0.00 179.25 178.39 1h3b h VAL 500 N -0.71 0.34 -0.16 0.00 2.07 -0.70 0.11 116.25 117.19 1h3b h VAL 500 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1h3b h VAL 500 Cb 0.50 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1h3b h VAL 500 CO 0.09 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.36 1h3b h VAL 501 N -0.35 1.07 -0.97 2.57 2.07 -1.43 0.87 116.25 120.07 1h3b h VAL 501 Ca 0.10 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1h3b h VAL 501 Cb 0.51 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1h3b h VAL 501 CO -0.34 0.06 0.59 -1.28 0.02 0.00 0.00 177.57 176.62 1h3b h SER 502 N 0.19 0.81 0.36 0.57 0.87 -1.13 -1.18 113.55 114.04 1h3b h SER 502 Ca 0.06 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1h3b h SER 502 Cb 0.02 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1h3b h SER 502 CO -0.01 0.38 -0.18 0.00 -0.53 0.00 0.00 176.83 176.49 1h3b h ALA 503 N 1.57 -0.79 -1.22 6.23 0.00 -0.26 -2.96 119.26 121.83 1h3b h ALA 503 Ca 0.51 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.68 1h3b h ALA 503 Cb 0.64 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1h3b h ALA 503 CO -0.32 -0.75 0.81 -0.07 0.00 0.00 0.00 179.25 178.92 1h3b h LEU 504 N -0.68 0.28 -0.88 0.00 3.38 -0.64 1.24 115.31 118.01 1h3b h LEU 504 Ca -0.05 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1h3b h LEU 504 Cb 0.38 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1h3b h LEU 504 CO 0.08 -0.04 -0.21 0.50 0.09 0.00 0.00 178.44 178.86 1h3b h LYS 505 N 0.19 0.59 0.00 1.13 3.11 -1.24 -2.48 116.57 117.88 1h3b h LYS 505 Ca 0.70 -0.22 -0.11 0.00 -2.81 0.00 0.00 60.65 58.21 1h3b h LYS 505 Cb 2.16 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 33.34 1h3b h LYS 505 CO -0.29 0.77 -0.53 0.00 -2.81 0.00 0.00 179.45 176.58 1h3b h ALA 506 N 1.24 0.75 -0.39 5.00 0.00 0.17 -3.22 119.26 122.82 1h3b h ALA 506 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1h3b h ALA 506 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h3b h ALA 506 CO 0.05 0.66 0.00 1.33 0.00 0.00 0.00 179.25 181.29 1h3b n VAL 507 N -3.37 1.77 0.00 0.00 0.24 -0.71 -4.62 118.33 111.64 1h3b n VAL 507 Ca 0.01 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1h3b n VAL 507 Cb 0.68 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.47 2.88 2.95 7.63 0.00 -1.22 -2.44 105.19 115.46 1h3b n GLY 508 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.27 0.00 -3.06 -0.61 2.08 -0.94 -4.85 119.36 111.71 1h3b n ILE 509 Ca 0.00 -0.46 -0.42 0.00 0.56 0.00 0.00 62.75 62.43 1h3b n ILE 509 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 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 -0.92 6.45 0.57 4.38 2.15 -1.26 -4.66 116.67 123.37 1h3b s ASP 510 Ca 0.49 0.13 0.27 0.00 0.43 0.00 0.00 52.55 53.87 1h3b s ASP 510 Cb -0.39 -2.35 1.53 0.00 -0.30 0.00 0.00 42.92 41.41 1h3b s ASP 510 CO 0.65 -0.68 2.03 0.71 -0.17 0.00 0.00 175.17 177.72 1h3b h THR 511 N 5.74 0.56 0.00 1.71 1.35 -1.92 -1.84 112.91 118.50 1h3b h THR 511 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1h3b h THR 511 Cb 1.10 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1h3b h THR 511 CO 0.87 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.68 1h3b n ARG 512 N -3.99 0.02 -0.72 4.72 1.74 -1.26 -4.03 116.66 113.14 1h3b n ARG 512 Ca 0.05 0.21 -0.32 0.00 -0.77 0.00 0.00 57.85 57.02 1h3b n ARG 512 Cb 0.46 -1.53 0.15 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.57 -0.92 0.21 5.56 -0.58 -0.70 -4.75 120.64 117.89 1h3b n GLU 513 Ca 0.04 -0.24 -0.08 0.00 -0.42 0.00 0.00 57.16 56.46 1h3b n GLU 513 Cb 0.21 -1.84 -0.04 0.00 -0.57 0.00 0.00 31.44 29.20 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 -1.84 -0.51 -0.88 3.49 0.11 -1.90 -2.35 132.00 128.11 1h3b h PRO 514 Ca -0.48 0.04 0.21 0.00 0.11 0.00 0.00 66.00 65.88 1h3b h PRO 514 Cb 1.31 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.48 1h3b h PRO 514 CO 0.37 -0.34 0.60 0.10 -0.21 0.00 0.00 178.00 178.51 1h3b h TYR 515 N -0.61 0.39 0.04 0.65 -0.00 -1.96 0.50 116.97 115.98 1h3b h TYR 515 Ca -0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.69 1h3b h TYR 515 Cb 0.41 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.02 1h3b h TYR 515 CO 0.10 0.10 -0.02 0.82 -0.00 0.00 0.00 178.16 179.17 1h3b h ILE 516 N 0.29 1.20 -0.41 -0.90 1.08 -1.83 -2.29 117.51 114.66 1h3b h ILE 516 Ca 0.45 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1h3b h ILE 516 Cb 1.29 1.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.73 1h3b h ILE 516 CO -0.13 0.19 0.25 1.56 -0.69 0.00 0.00 178.15 179.34 1h3b h GLN 517 N -0.38 0.55 -0.53 2.37 1.08 -0.40 -0.60 115.11 117.19 1h3b h GLN 517 Ca -0.00 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.28 1h3b h GLN 517 Cb 0.36 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1h3b h GLN 517 CO 0.01 0.39 0.37 -0.22 -0.95 0.00 0.00 178.83 178.43 1h3b h LYS 518 N 0.54 0.13 0.05 1.46 3.64 -0.06 0.46 116.57 122.80 1h3b h LYS 518 Ca 0.15 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1h3b h LYS 518 Cb -0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1h3b h LYS 518 CO -0.03 0.09 -0.02 0.00 -2.27 0.00 0.00 179.45 177.21 1h3b h ALA 519 N 1.74 -0.07 -0.64 5.00 0.00 -0.72 -2.92 119.26 121.66 1h3b h ALA 519 Ca 0.25 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1h3b h ALA 519 Cb 0.81 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1h3b h ALA 519 CO -0.03 -0.13 -0.16 -0.07 0.00 0.00 0.00 179.25 178.86 1h3b h LEU 520 N -0.89 -0.59 0.15 0.00 3.38 -0.20 -0.86 115.31 116.29 1h3b h LEU 520 Ca -0.01 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1h3b h LEU 520 Cb 0.65 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1h3b h LEU 520 CO 0.01 -0.21 -0.39 0.44 0.09 0.00 0.00 178.44 178.39 1h3b h ASP 521 N 0.00 -1.12 -1.26 -0.43 3.32 -1.03 -0.51 116.42 115.40 1h3b h ASP 521 Ca 0.31 0.12 0.41 0.00 0.02 0.00 0.00 57.03 57.89 1h3b h ASP 521 Cb 0.47 0.42 -0.13 0.00 0.22 0.00 0.00 39.33 40.30 1h3b h ASP 521 CO -0.66 -0.47 0.80 -0.25 -1.72 0.00 0.00 179.24 176.94 1h3b h TRP 522 N -0.64 0.58 0.17 4.55 7.01 -0.97 0.19 115.95 126.84 1h3b h TRP 522 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1h3b h TRP 522 Cb 0.65 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1h3b h TRP 522 CO -0.33 -0.21 -0.08 0.28 -2.79 0.00 0.00 178.44 175.32 1h3b h VAL 523 N 0.12 0.96 -0.84 2.65 2.07 -0.44 -3.12 116.25 117.64 1h3b h VAL 523 Ca 0.80 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1h3b h VAL 523 Cb 2.42 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 33.54 1h3b h VAL 523 CO -0.45 0.17 0.55 -0.33 0.02 0.00 0.00 177.57 177.53 1h3b h GLU 524 N -0.60 0.85 0.00 1.57 5.08 -0.30 -2.32 114.58 118.86 1h3b h GLU 524 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1h3b h GLU 524 Cb 0.45 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1h3b h GLU 524 CO 0.04 0.56 -0.06 1.96 -1.00 0.00 0.00 179.01 180.51 1h3b h GLN 525 N 0.88 0.00 -0.43 2.33 4.20 -1.12 -2.86 115.11 118.12 1h3b h GLN 525 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1h3b h GLN 525 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1h3b h GLN 525 CO -0.14 0.06 0.00 0.72 -0.67 0.00 0.00 178.83 178.79 1h3b n HIS 526 N -3.70 1.45 -2.19 2.96 8.25 -0.87 -4.97 115.22 116.14 1h3b n HIS 526 Ca -0.02 -0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 56.23 1h3b n HIS 526 Cb 0.16 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.65 4.24 0.66 -0.41 0.74 -1.08 -4.66 119.66 116.49 1h3b s GLN 527 Ca 0.47 1.98 -0.16 0.00 0.05 0.00 0.00 55.36 57.70 1h3b s GLN 527 Cb 0.36 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.73 1h3b s GLN 527 CO 0.13 -0.69 1.14 -0.80 -0.55 0.00 0.00 175.29 174.52 1h3b s ASN 528 N 2.37 4.97 0.31 6.67 0.01 -0.23 -4.91 114.94 124.14 1h3b s ASN 528 Ca 0.65 2.12 0.07 0.00 -0.71 0.00 0.00 52.86 54.98 1h3b s ASN 528 Cb -0.30 -2.57 0.76 0.00 0.41 0.00 0.00 41.25 39.56 1h3b s ASN 528 CO 0.25 -1.73 1.78 1.55 -1.51 0.00 0.00 177.10 177.44 1h3b h PRO 529 N 0.13 0.72 0.00 -0.60 0.13 -1.94 -1.01 132.00 129.43 1h3b h PRO 529 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1h3b h PRO 529 Cb 1.26 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1h3b h PRO 529 CO 0.53 0.48 0.00 -0.40 -0.23 0.00 0.00 178.00 178.38 1h3b n ASP 530 N -4.76 0.00 0.00 1.44 5.68 -1.26 -4.82 116.55 112.83 1h3b n ASP 530 Ca 0.23 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 1h3b n ASP 530 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.18 2.93 3.98 6.12 0.00 -0.38 -4.74 105.19 112.93 1h3b n GLY 531 Ca 0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.35 1.76 0.28 -0.02 0.00 -1.26 -3.60 107.32 104.14 1h3b s GLY 532 Ca 0.00 -1.67 0.09 0.00 0.00 0.00 0.00 44.72 43.13 1h3b s GLY 532 CO 0.00 -1.02 0.08 -0.98 0.00 0.00 0.00 173.10 171.18 1h3b s TRP 533 N -3.36 2.81 0.08 1.90 0.51 -1.26 -1.06 118.94 118.55 1h3b s TRP 533 Ca 0.69 -0.22 -0.26 0.00 -2.12 0.00 0.00 56.10 54.19 1h3b s TRP 533 Cb -0.04 -1.33 0.07 0.00 -0.81 0.00 0.00 33.47 31.36 1h3b s TRP 533 CO 0.47 0.54 0.66 0.20 -0.51 0.00 0.00 176.95 178.31 1h3b s GLY 534 N -3.75 -0.59 -0.28 0.98 0.00 -1.25 -1.83 107.32 100.60 1h3b s GLY 534 Ca 0.33 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.88 1h3b s GLY 534 CO 0.22 0.43 0.50 1.85 0.00 0.00 0.00 173.10 176.10 1h3b s GLU 535 N -2.87 0.48 0.61 2.90 2.12 -1.25 -3.25 118.70 117.43 1h3b s GLU 535 Ca -0.02 0.59 -0.18 0.00 0.36 0.00 0.00 54.97 55.72 1h3b s GLU 535 Cb -0.01 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 1h3b s GLU 535 CO -0.06 -0.82 1.19 0.34 -0.54 0.00 0.00 175.26 175.38 1h3b s ASP 536 N 2.71 5.12 0.07 -1.70 2.15 0.39 -4.72 116.67 120.70 1h3b s ASP 536 Ca 0.14 2.33 0.08 0.00 0.43 0.00 0.00 52.55 55.53 1h3b s ASP 536 Cb -0.13 -2.59 0.40 0.00 -0.30 0.00 0.00 42.92 40.29 1h3b s ASP 536 CO -0.23 -1.64 1.26 0.00 -0.17 0.00 0.00 175.17 174.40 1h3b n ARG 538 N -1.68 0.18 0.00 0.00 1.74 -1.26 -2.70 116.66 112.94 1h3b n ARG 538 Ca 0.01 0.46 0.03 0.00 -0.77 0.00 0.00 57.85 57.57 1h3b n ARG 538 Cb 0.06 -1.88 0.14 0.00 -1.02 0.00 0.00 32.46 29.76 1h3b n ARG 538 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1h3b n SER 539 N -2.23 0.00 -0.00 0.55 3.41 -0.59 -0.98 113.62 113.78 1h3b n SER 539 Ca 0.02 0.28 -0.07 0.00 -0.26 0.00 0.00 58.87 58.83 1h3b n SER 539 Cb 0.20 -0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.78 -3.41 116.97 119.16 1h3b h TYR 540 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1h3b h TYR 540 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1h3b h TYR 540 CO 0.00 0.93 -0.82 0.39 -1.05 0.00 0.00 178.16 177.61 1h3b n GLU 541 N -3.05 0.50 -3.84 4.88 -0.58 -0.15 -4.79 120.64 113.61 1h3b n GLU 541 Ca -0.14 0.54 -0.36 0.00 -0.42 0.00 0.00 57.16 56.78 1h3b n GLU 541 Cb 1.01 -1.71 -0.13 0.00 -0.57 0.00 0.00 31.44 30.04 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 -6.17 4.99 0.26 1.62 2.15 -0.16 -4.98 116.67 114.38 1h3b s ASP 542 Ca -0.20 -1.08 0.11 0.00 0.43 0.00 0.00 52.55 51.81 1h3b s ASP 542 Cb 0.04 -1.79 0.60 0.00 -0.30 0.00 0.00 42.92 41.47 1h3b s ASP 542 CO 0.36 -0.25 1.23 -0.81 -0.17 0.00 0.00 175.17 175.52 1h3b n PRO 543 N 4.73 0.08 0.25 4.34 -0.04 -1.26 -0.77 135.00 142.33 1h3b n PRO 543 Ca -0.14 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 1h3b n PRO 543 Cb 0.45 -2.01 0.56 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.25 1.02 -0.00 0.55 0.00 -1.93 -2.94 119.26 117.21 1h3b h ALA 544 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h3b h ALA 544 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1h3b h ALA 544 CO 0.00 0.13 -0.28 0.66 0.00 0.00 0.00 179.25 179.77 1h3b n TYR 545 N -3.24 0.00 -1.56 0.00 4.01 0.05 -4.75 117.16 111.67 1h3b n TYR 545 Ca 0.00 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.26 1h3b n TYR 545 Cb 0.37 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.99 1.19 0.00 -0.72 0.00 -1.11 -0.01 120.51 118.87 1h3b n ALA 546 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1h3b n ALA 546 Cb 0.33 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 5.64 2.47 3.88 0.00 0.00 -1.26 -5.03 105.19 110.89 1h3b n GLY 547 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.42 3.68 0.00 1.61 1.02 0.99 -4.46 119.74 122.16 1h3b s LYS 548 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.04 1h3b s LYS 548 Cb 0.00 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1h3b s LYS 548 CO 0.00 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 1h3b n GLY 549 N 0.83 3.64 3.73 -3.33 0.00 -1.20 -0.46 105.19 108.40 1h3b n GLY 549 Ca -0.08 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.61 1.96 -1.80 4.61 0.00 -1.26 -3.90 120.51 118.51 1h3b n ALA 550 Ca 0.00 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1h3b n ALA 550 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 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 0.11 6.67 0.10 0.00 0.01 -1.26 -4.09 113.70 115.25 1h3b s SER 551 Ca 0.60 2.74 0.06 0.00 1.31 0.00 0.00 55.95 60.66 1h3b s SER 551 Cb -0.53 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.01 1h3b s SER 551 CO 0.56 -0.63 -0.14 0.42 0.41 0.00 0.00 173.24 173.85 1h3b s THR 552 N -0.85 1.27 0.20 1.44 -4.23 -0.76 -4.92 115.64 107.80 1h3b s THR 552 Ca 0.52 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1h3b s THR 552 Cb -0.41 -1.39 0.13 0.00 1.34 0.00 0.00 72.50 72.16 1h3b s THR 552 CO 0.52 -0.35 1.87 -0.65 -0.54 0.00 0.00 174.62 175.47 1h3b h PRO 553 N 3.78 0.91 0.37 3.99 0.11 -1.88 -0.87 132.00 138.40 1h3b h PRO 553 Ca -0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1h3b h PRO 553 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1h3b h PRO 553 CO 0.47 0.60 -0.18 0.66 -0.21 0.00 0.00 178.00 179.34 1h3b h SER 554 N 0.93 -0.42 -0.16 -2.05 4.64 -1.85 -0.81 113.55 113.84 1h3b h SER 554 Ca 0.25 -0.14 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1h3b h SER 554 Cb -0.10 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1h3b h SER 554 CO -0.06 -0.03 0.12 1.56 -0.87 0.00 0.00 176.83 177.56 1h3b h GLN 555 N -0.88 0.00 -0.04 4.77 4.20 -1.84 0.69 115.11 122.00 1h3b h GLN 555 Ca -0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1h3b h GLN 555 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1h3b h GLN 555 CO 0.08 0.00 -0.08 1.15 -0.67 0.00 0.00 178.83 179.31 1h3b h THR 556 N 0.00 1.43 -0.99 -0.54 2.02 -1.07 -2.64 112.91 111.11 1h3b h THR 556 Ca 0.07 -1.40 0.11 0.00 0.77 0.00 0.00 66.41 65.97 1h3b h THR 556 Cb 0.32 2.25 -0.08 0.00 -1.74 0.00 0.00 68.15 68.90 1h3b h THR 556 CO -0.00 0.38 0.62 0.00 0.37 0.00 0.00 175.52 176.89 1h3b h ALA 557 N 0.47 1.48 0.06 6.16 0.00 0.41 0.15 119.26 127.99 1h3b h ALA 557 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h3b h ALA 557 Cb 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h3b h ALA 557 CO 0.02 0.24 -0.03 -1.49 0.00 0.00 0.00 179.25 177.99 1h3b h TRP 558 N 1.00 -0.07 -0.18 0.00 6.55 -0.89 0.05 115.95 122.40 1h3b h TRP 558 Ca 0.48 -0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.27 1h3b h TRP 558 Cb 0.45 0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 1h3b h TRP 558 CO -0.01 0.13 -0.11 0.00 -1.05 0.00 0.00 178.44 177.40 1h3b h ALA 559 N 0.66 1.49 -0.04 1.49 0.00 -1.09 -1.84 119.26 119.94 1h3b h ALA 559 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1h3b h ALA 559 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h3b h ALA 559 CO 0.01 0.36 -0.39 1.25 0.00 0.00 0.00 179.25 180.49 1h3b h LEU 560 N 0.27 0.08 -0.15 0.00 5.85 -0.34 -2.20 115.31 118.82 1h3b h LEU 560 Ca 0.06 -0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1h3b h LEU 560 Cb 0.36 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.38 1h3b h LEU 560 CO 0.02 0.46 -0.86 0.24 -0.34 0.00 0.00 178.44 177.96 1h3b h MET 561 N 0.07 0.68 -0.69 1.25 2.86 -0.17 -1.63 114.93 117.30 1h3b h MET 561 Ca 0.01 -0.62 -0.00 0.00 -2.06 0.00 0.00 59.70 57.02 1h3b h MET 561 Cb 0.72 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1h3b h MET 561 CO 0.05 1.22 0.41 0.00 1.06 0.00 0.00 176.91 179.66 1h3b h ALA 562 N 0.58 0.87 -0.31 6.32 0.00 -1.22 0.11 119.26 125.61 1h3b h ALA 562 Ca -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1h3b h ALA 562 Cb 1.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1h3b h ALA 562 CO 0.17 0.35 -0.01 -0.07 0.00 0.00 0.00 179.25 179.69 1h3b h LEU 563 N 0.93 0.55 -0.82 0.00 3.38 -1.34 -1.01 115.31 116.99 1h3b h LEU 563 Ca 0.25 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1h3b h LEU 563 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1h3b h LEU 563 CO -0.05 0.73 0.36 0.40 0.09 0.00 0.00 178.44 179.98 1h3b h ILE 564 N 0.35 1.26 -0.47 1.22 2.04 -0.98 -1.60 117.51 119.33 1h3b h ILE 564 Ca 0.09 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1h3b h ILE 564 Cb 0.46 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1h3b h ILE 564 CO 0.02 0.32 0.11 0.00 0.00 0.00 0.00 178.15 178.60 1h3b h ALA 565 N 1.20 0.61 0.00 1.87 0.00 -0.65 -2.90 119.26 119.39 1h3b h ALA 565 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h3b h ALA 565 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h3b h ALA 565 CO -0.03 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1h3b n GLY 566 N -0.59 1.54 3.67 0.00 0.00 -0.40 -4.83 105.19 104.58 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 0.19 2.02 0.94 -0.02 0.00 -1.09 -4.86 105.19 102.36 1h3b n GLY 567 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 0.98 0.05 1.61 1.74 -0.62 -4.45 116.66 113.96 1h3b n ARG 568 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1h3b n ARG 568 Cb 0.00 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 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 2.00 -0.51 -1.14 7.54 0.00 -1.79 -3.16 119.26 122.20 1h3b h ALA 569 Ca 0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1h3b h ALA 569 Cb 0.92 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 1h3b h ALA 569 CO 0.00 -0.87 1.72 -1.21 0.00 0.00 0.00 179.25 178.90 1h3b s GLU 570 N -5.97 3.82 0.10 0.00 2.02 -1.26 -4.39 118.70 113.02 1h3b s GLU 570 Ca -0.16 -1.71 -0.01 0.00 0.02 0.00 0.00 54.97 53.11 1h3b s GLU 570 Cb 0.09 -5.36 -0.04 0.00 0.10 0.00 0.00 34.13 28.92 1h3b s GLU 570 CO 0.65 -2.14 0.03 0.45 0.02 0.00 0.00 175.26 174.26 1h3b s SER 571 N 4.30 0.37 0.01 -0.19 0.15 -1.19 -5.02 113.70 112.12 1h3b s SER 571 Ca 0.48 -1.14 -0.25 0.00 0.70 0.00 0.00 55.95 55.73 1h3b s SER 571 Cb 0.01 0.26 -0.15 0.00 -1.71 0.00 0.00 66.02 64.44 1h3b s SER 571 CO -0.01 -0.69 1.11 -0.08 1.20 0.00 0.00 173.24 174.77 1h3b h GLU 572 N 2.96 -0.74 -0.69 5.44 4.57 -1.90 0.13 114.58 124.35 1h3b h GLU 572 Ca -0.35 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.03 1h3b h GLU 572 Cb 1.18 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 29.84 1h3b h GLU 572 CO 0.61 -0.44 0.15 0.00 -1.18 0.00 0.00 179.01 178.16 1h3b h ALA 573 N -0.94 0.86 0.27 2.92 0.00 -1.96 0.34 119.26 120.75 1h3b h ALA 573 Ca -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1h3b h ALA 573 Cb 0.64 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1h3b h ALA 573 CO 0.13 -0.33 -0.13 0.00 0.00 0.00 0.00 179.25 178.92 1h3b h ALA 574 N 1.57 -0.36 -0.40 0.00 0.00 -1.81 0.47 119.26 118.73 1h3b h ALA 574 Ca 0.38 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1h3b h ALA 574 Cb 0.62 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1h3b h ALA 574 CO -0.48 -0.66 0.11 0.00 0.00 0.00 0.00 179.25 178.23 1h3b h ARG 575 N -0.45 0.25 -0.33 0.00 3.08 -0.00 -1.35 114.38 115.58 1h3b h ARG 575 Ca -0.04 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1h3b h ARG 575 Cb 0.34 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1h3b h ARG 575 CO 0.06 0.17 -0.09 0.00 -1.07 0.00 0.00 179.97 179.03 1h3b h ARG 576 N 0.26 -0.02 -0.23 0.04 2.47 -0.14 -1.13 114.38 115.64 1h3b h ARG 576 Ca 0.19 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.92 1h3b h ARG 576 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1h3b h ARG 576 CO -0.22 -0.01 0.12 0.78 0.56 0.00 0.00 179.97 181.21 1h3b h GLY 577 N -0.02 0.30 0.64 0.04 0.00 -0.33 -1.84 103.07 101.87 1h3b h GLY 577 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1h3b h GLY 577 CO -0.35 0.08 0.44 -2.08 0.00 0.00 0.00 176.54 174.64 1h3b h VAL 578 N 0.26 0.96 0.03 4.60 2.07 -0.86 -1.81 116.25 121.51 1h3b h VAL 578 Ca 0.09 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1h3b h VAL 578 Cb 0.01 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 1h3b h VAL 578 CO -0.05 0.14 -0.25 -0.61 0.02 0.00 0.00 177.57 176.82 1h3b h GLN 579 N 0.79 -0.40 -0.60 1.57 5.75 -0.66 -1.30 115.11 120.26 1h3b h GLN 579 Ca 0.35 0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.99 1h3b h GLN 579 Cb 0.24 0.09 -0.12 0.00 1.07 0.00 0.00 27.48 28.77 1h3b h GLN 579 CO -0.20 -0.26 -0.31 -0.92 -2.65 0.00 0.00 178.83 174.48 1h3b h TYR 580 N -0.41 -0.84 -0.36 3.99 5.03 -0.53 0.25 116.97 124.10 1h3b h TYR 580 Ca 0.05 0.07 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1h3b h TYR 580 Cb 0.48 0.46 -0.02 0.00 1.55 0.00 0.00 36.73 39.20 1h3b h TYR 580 CO -0.27 -0.37 0.14 -0.07 -1.32 0.00 0.00 178.16 176.27 1h3b h LEU 581 N -0.14 0.45 -0.48 2.82 3.38 -1.09 0.69 115.31 120.94 1h3b h LEU 581 Ca 0.25 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1h3b h LEU 581 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1h3b h LEU 581 CO -0.68 0.41 -0.31 0.58 0.09 0.00 0.00 178.44 178.53 1h3b h VAL 582 N 0.50 1.27 0.08 1.22 2.07 0.57 -2.95 116.25 119.01 1h3b h VAL 582 Ca 0.13 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1h3b h VAL 582 Cb 0.10 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1h3b h VAL 582 CO -0.01 0.50 -0.04 -0.33 0.02 0.00 0.00 177.57 177.70 1h3b h GLU 583 N 0.78 -0.11 0.00 1.57 5.08 -0.40 -3.29 114.58 118.21 1h3b h GLU 583 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1h3b h GLU 583 Cb 0.88 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1h3b h GLU 583 CO 0.08 0.32 0.01 0.25 -1.00 0.00 0.00 179.01 178.67 1h3b n THR 584 N -4.81 1.45 -2.22 1.13 -2.24 0.19 -4.74 114.28 103.03 1h3b n THR 584 Ca -0.06 0.37 -0.39 0.00 -2.27 0.00 0.00 64.05 61.70 1h3b n THR 584 Cb 0.23 -1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.08 1h3b n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1h3b s GLN 585 N -2.72 4.06 0.73 -0.78 0.74 -1.11 -4.68 119.66 115.90 1h3b s GLN 585 Ca 0.00 1.95 -0.11 0.00 0.05 0.00 0.00 55.36 57.25 1h3b s GLN 585 Cb 0.00 -2.74 0.04 0.00 1.10 0.00 0.00 33.01 31.41 1h3b s GLN 585 CO 0.00 -0.35 1.10 1.03 -0.55 0.00 0.00 175.29 176.53 1h3b s ARG 586 N -2.22 2.51 0.34 1.67 0.52 -0.66 -4.98 118.95 116.14 1h3b s ARG 586 Ca 0.56 0.26 0.05 0.00 -0.52 0.00 0.00 55.73 56.08 1h3b s ARG 586 Cb -0.33 -2.03 0.63 0.00 0.52 0.00 0.00 34.95 33.74 1h3b s ARG 586 CO 0.42 -1.21 1.88 -1.35 0.02 0.00 0.00 175.30 175.06 1h3b h PRO 587 N -0.75 0.49 0.00 3.54 0.11 -1.96 -2.50 132.00 130.94 1h3b h PRO 587 Ca -0.45 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1h3b h PRO 587 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h3b h PRO 587 CO 0.64 0.53 0.00 0.38 -0.21 0.00 0.00 178.00 179.34 1h3b h ASP 588 N 0.47 0.00 0.00 -2.05 3.04 -1.95 -3.47 116.42 112.46 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 0.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 1h3b h ASP 588 CO 0.01 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 1h3b n GLY 589 N 0.23 2.18 0.00 7.15 0.00 -0.94 -4.47 105.19 109.34 1h3b n GLY 589 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.15 -1.23 3.13 -0.02 0.00 -1.26 -4.07 105.19 101.58 1h3b n GLY 590 Ca 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.77 0.36 0.26 1.61 0.51 -1.26 -1.66 118.94 117.99 1h3b s TRP 591 Ca 0.00 -0.83 0.08 0.00 -2.12 0.00 0.00 56.10 53.22 1h3b s TRP 591 Cb 0.00 -0.25 -0.04 0.00 -0.81 0.00 0.00 33.47 32.37 1h3b s TRP 591 CO 0.00 -0.43 0.17 -0.51 -0.51 0.00 0.00 176.95 175.67 1h3b s ASP 592 N -2.77 5.30 -0.42 2.95 1.01 -1.26 -4.78 116.67 116.70 1h3b s ASP 592 Ca 0.04 -0.36 0.03 0.00 0.71 0.00 0.00 52.55 52.98 1h3b s ASP 592 Cb 0.05 -1.25 0.19 0.00 1.01 0.00 0.00 42.92 42.93 1h3b s ASP 592 CO -0.09 -0.06 0.79 -0.70 0.21 0.00 0.00 175.17 175.31 1h3b s GLU 593 N -3.82 0.73 0.00 8.23 2.12 -1.26 -4.52 118.70 120.17 1h3b s GLU 593 Ca 0.33 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 55.23 1h3b s GLU 593 Cb -0.07 0.03 0.28 0.00 0.26 0.00 0.00 34.13 34.63 1h3b s GLU 593 CO 0.24 -0.97 0.80 -0.35 -0.54 0.00 0.00 175.26 174.44 1h3b n PRO 594 N 3.60 0.56 -4.38 4.30 -0.04 -1.26 -4.76 135.00 133.02 1h3b n PRO 594 Ca 0.12 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 1h3b n PRO 594 Cb 0.59 -1.13 -0.09 0.00 -0.04 0.00 0.00 33.50 32.83 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 -4.73 117.35 114.45 1h3b s TYR 595 Ca 0.07 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 1h3b s TYR 595 Cb 0.03 -1.22 -0.06 0.00 -0.40 0.00 0.00 41.96 40.31 1h3b s TYR 595 CO 0.05 0.61 0.46 0.71 -1.57 0.00 0.00 175.55 175.82 1h3b s TYR 596 N -2.46 3.75 0.00 2.71 1.51 -1.26 -4.94 117.35 116.66 1h3b s TYR 596 Ca 0.32 1.08 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1h3b s TYR 596 Cb -0.04 -2.35 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1h3b s TYR 596 CO 0.18 0.63 0.63 0.25 -1.11 0.00 0.00 175.55 176.12 1h3b n THR 597 N 1.77 0.40 -4.65 -0.71 -2.24 -1.25 -4.79 114.28 102.80 1h3b n THR 597 Ca -0.13 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 1h3b n THR 597 Cb 0.52 0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.40 1.64 -0.12 3.38 0.00 -0.90 -0.33 107.32 110.61 1h3b s GLY 598 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1h3b s GLY 598 CO 0.00 -0.86 -0.15 -1.59 0.00 0.00 0.00 173.10 170.50 1h3b s THR 599 N -0.88 2.88 -0.13 0.90 2.01 -1.18 -0.88 115.64 118.35 1h3b s THR 599 Ca 0.14 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1h3b s THR 599 Cb -0.11 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1h3b s THR 599 CO 0.04 0.54 -0.20 0.61 -0.69 0.00 0.00 174.62 174.92 1h3b n GLY 600 N 3.39 -0.81 2.83 4.40 0.00 0.20 -4.31 105.19 110.91 1h3b n GLY 600 Ca -0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.27 0.59 0.12 1.61 0.08 -0.13 -4.95 117.98 113.02 1h3b s PHE 601 Ca -0.17 -0.13 -0.35 0.00 0.12 0.00 0.00 56.93 56.41 1h3b s PHE 601 Cb 0.02 -0.63 -0.15 0.00 -0.57 0.00 0.00 43.02 41.70 1h3b s PHE 601 CO 0.25 -0.21 1.52 -2.30 -0.10 0.00 0.00 175.22 174.37 1h3b n PRO 602 N 4.41 1.81 -0.19 0.24 -0.02 -1.26 -1.85 135.00 138.14 1h3b n PRO 602 Ca -0.20 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1h3b n PRO 602 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.18 1.66 0.00 -1.23 0.00 -1.26 -4.74 105.19 102.80 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 3.17 -3.52 1.61 8.00 -0.77 -5.02 116.55 120.02 1h3b n ASP 604 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1h3b n ASP 604 Cb 0.00 0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 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 -1.37 -1.07 0.17 1.24 5.36 -0.95 -4.95 117.98 116.42 1h3b s PHE 605 Ca 0.00 1.63 0.10 0.00 -0.96 0.00 0.00 56.93 57.70 1h3b s PHE 605 Cb 0.00 0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 43.06 1h3b s PHE 605 CO 0.00 -0.64 -0.15 0.71 -1.46 0.00 0.00 175.22 173.68 1h3b s TYR 606 N 2.71 2.52 0.14 10.12 1.51 -1.26 -0.63 117.35 132.47 1h3b s TYR 606 Ca 0.04 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1h3b s TYR 606 Cb -0.13 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1h3b s TYR 606 CO -0.16 0.48 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.07 1h3b s LEU 607 N -2.65 2.40 -0.30 -1.29 1.43 -0.06 -4.43 118.68 113.78 1h3b s LEU 607 Ca 0.22 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1h3b s LEU 607 Cb -0.09 -0.78 0.05 0.00 0.03 0.00 0.00 46.19 45.41 1h3b s LEU 607 CO 0.13 -0.04 0.01 -0.83 0.23 0.00 0.00 176.35 175.84 1h3b s GLY 608 N -2.46 1.77 -0.71 -3.19 0.00 0.15 -2.11 107.32 100.77 1h3b s GLY 608 Ca 0.12 -1.81 -0.22 0.00 0.00 0.00 0.00 44.72 42.82 1h3b s GLY 608 CO 0.05 0.71 1.00 -0.19 0.00 0.00 0.00 173.10 174.68 1h3b s TYR 609 N 1.24 2.73 0.55 1.90 1.51 -1.26 -1.31 117.35 122.71 1h3b s TYR 609 Ca -0.04 -0.67 0.39 0.00 -1.01 0.00 0.00 57.07 55.73 1h3b s TYR 609 Cb -0.20 -4.31 1.56 0.00 -0.11 0.00 0.00 41.96 38.90 1h3b s TYR 609 CO -0.01 -1.64 1.74 1.15 -1.11 0.00 0.00 175.55 175.68 1h3b h THR 610 N 5.98 0.31 0.00 -0.71 2.02 -1.84 -1.21 112.91 117.45 1h3b h THR 610 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1h3b h THR 610 Cb 1.06 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1h3b h THR 610 CO 1.18 0.00 -0.96 0.24 0.37 0.00 0.00 175.52 176.35 1h3b h MET 611 N 0.00 0.00 -0.83 6.66 2.86 -1.89 -3.38 114.93 118.35 1h3b h MET 611 Ca 0.62 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.42 1h3b h MET 611 Cb 2.54 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 34.10 1h3b h MET 611 CO -0.01 0.00 0.37 1.88 1.06 0.00 0.00 176.91 180.21 1h3b h TYR 612 N 0.00 0.63 0.00 -0.22 -1.99 -1.63 -0.14 116.97 113.61 1h3b h TYR 612 Ca 0.00 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1h3b h TYR 612 Cb 0.99 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 39.57 1h3b h TYR 612 CO 0.00 0.07 -0.00 0.07 -0.00 0.00 0.00 178.16 178.29 1h3b h ARG 613 N 0.49 0.00 0.00 4.88 0.11 -1.74 -2.65 114.38 115.47 1h3b h ARG 613 Ca 0.47 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.17 1h3b h ARG 613 Cb 0.76 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.78 1h3b h ARG 613 CO -0.43 0.00 -2.39 0.72 0.10 0.00 0.00 179.97 177.97 1h3b n HIS 614 N -3.68 0.00 0.00 4.08 8.25 -0.28 -4.34 115.22 119.26 1h3b n HIS 614 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1h3b n HIS 614 Cb 0.08 -0.92 -0.09 0.00 1.12 0.00 0.00 29.99 30.17 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 -0.30 1.30 -0.51 1.59 2.07 -1.07 -3.00 116.25 116.33 1h3b h VAL 615 Ca -0.57 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 65.81 1h3b h VAL 615 Cb 1.75 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1h3b h VAL 615 CO -0.18 0.26 -0.18 -0.26 0.02 0.00 0.00 177.57 177.23 1h3b h PHE 616 N -0.47 1.15 -0.82 1.57 0.04 -1.70 0.55 116.94 117.25 1h3b h PHE 616 Ca -0.00 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.49 1h3b h PHE 616 Cb 0.45 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 1h3b h PHE 616 CO 0.08 1.09 0.45 -1.35 -0.60 0.00 0.00 178.31 177.98 1h3b h PRO 617 N 0.88 1.15 -0.55 1.51 0.11 -1.73 0.19 132.00 133.56 1h3b h PRO 617 Ca 0.12 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1h3b h PRO 617 Cb 0.75 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 1h3b h PRO 617 CO 0.06 0.84 0.27 1.15 -0.21 0.00 0.00 178.00 180.11 1h3b h THR 618 N 1.14 1.20 -0.54 -1.15 2.02 -1.35 -0.26 112.91 113.97 1h3b h THR 618 Ca 0.29 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1h3b h THR 618 Cb 0.03 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1h3b h THR 618 CO -0.05 0.22 0.14 0.25 0.37 0.00 0.00 175.52 176.46 1h3b h LEU 619 N 0.74 0.81 -0.44 2.58 5.85 -0.32 -0.88 115.31 123.64 1h3b h LEU 619 Ca 0.19 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1h3b h LEU 619 Cb 0.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1h3b h LEU 619 CO -0.02 0.83 -0.06 0.00 -0.34 0.00 0.00 178.44 178.84 1h3b h ALA 620 N 1.02 0.60 -0.45 1.25 0.00 -0.39 -1.95 119.26 119.35 1h3b h ALA 620 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1h3b h ALA 620 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h3b h ALA 620 CO -0.00 0.45 -0.06 -0.07 0.00 0.00 0.00 179.25 179.57 1h3b h LEU 621 N 0.66 0.75 -1.53 0.00 3.38 -0.96 -0.67 115.31 116.94 1h3b h LEU 621 Ca 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1h3b h LEU 621 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1h3b h LEU 621 CO 0.03 0.86 -0.24 1.23 0.09 0.00 0.00 178.44 180.41 1h3b h GLY 622 N 0.97 0.00 1.57 0.83 0.00 -0.94 -1.09 103.07 104.41 1h3b h GLY 622 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 1h3b h GLY 622 CO 0.03 0.00 -0.88 3.21 0.00 0.00 0.00 176.54 178.90 1h3b h ARG 623 N 0.00 0.00 0.12 4.80 3.08 -0.62 -2.65 114.38 119.11 1h3b h ARG 623 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1h3b h ARG 623 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1h3b h ARG 623 CO 0.03 0.41 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.36 1h3b h TYR 624 N 0.00 -0.15 0.00 3.04 3.20 -0.64 -2.08 116.97 120.34 1h3b h TYR 624 Ca -0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1h3b h TYR 624 Cb 1.45 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.77 1h3b h TYR 624 CO 0.00 0.33 0.05 -0.22 -1.64 0.00 0.00 178.16 176.68 1h3b h LYS 625 N -0.79 0.00 0.12 1.82 3.64 -1.32 0.09 116.57 120.13 1h3b h LYS 625 Ca -0.02 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1h3b h LYS 625 Cb 0.55 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1h3b h LYS 625 CO 0.03 0.00 -1.04 0.37 -2.27 0.00 0.00 179.45 176.54 1h3b h GLN 626 N 0.00 0.49 -1.49 1.90 5.75 -1.22 -3.08 115.11 117.46 1h3b h GLN 626 Ca 0.00 -0.69 0.00 0.00 -0.15 0.00 0.00 58.65 57.81 1h3b h GLN 626 Cb 0.10 0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1h3b h GLN 626 CO 0.00 1.30 0.00 0.00 -2.65 0.00 0.00 178.83 177.48 1h3b n ALA 627 N -2.67 3.08 -0.95 3.38 0.00 0.02 -4.29 120.51 119.08 1h3b n ALA 627 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1h3b n ALA 627 Cb 0.90 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 0.99 0.00 0.00 0.00 5.41 -1.24 -4.92 119.36 119.60 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 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1h3b n ILE 628 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76