#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjb h MET 1 N 0.00 0.29 -6.19 0.00 0.00 -1.99 -3.41 114.93 103.63 3hjb h MET 1 Ca 0.00 -0.19 -0.56 0.00 0.00 0.00 0.00 59.70 58.95 3hjb h MET 1 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 31.60 31.59 3hjb h MET 1 CO 0.00 0.78 0.91 -1.17 0.00 0.00 0.00 176.91 177.42 3hjb s LEU 2 N -8.03 4.21 0.51 1.22 2.96 -1.26 -4.15 118.68 114.14 3hjb s LEU 2 Ca -0.05 1.79 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 3hjb s LEU 2 Cb 0.12 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.29 3hjb s LEU 2 CO 0.80 -0.76 0.72 -0.54 -1.32 0.00 0.00 176.35 175.25 3hjb s LYS 3 N 3.40 2.66 -0.46 1.98 -0.14 -1.26 -5.05 119.74 120.88 3hjb s LYS 3 Ca 0.58 -0.85 0.08 0.00 -1.36 0.00 0.00 55.97 54.42 3hjb s LYS 3 Cb -0.24 -2.55 0.39 0.00 -1.68 0.00 0.00 37.83 33.75 3hjb s LYS 3 CO 0.18 -0.57 0.98 0.09 -0.76 0.00 0.00 175.35 175.27 3hjb n ASN 4 N -2.21 3.60 -4.69 2.83 3.02 -1.26 -5.03 115.26 111.52 3hjb n ASN 4 Ca 0.07 -3.45 -0.42 0.00 -0.03 0.00 0.00 54.58 50.75 3hjb n ASN 4 Cb 0.59 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3hjb n ASN 4 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hjb s ILE 5 N -4.40 4.61 -0.29 2.41 1.01 -1.26 -4.87 121.20 118.40 3hjb s ILE 5 Ca 0.44 1.88 -0.29 0.00 0.00 0.00 0.00 60.65 62.68 3hjb s ILE 5 Cb 0.36 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 3hjb s ILE 5 CO -0.12 0.05 1.40 0.21 0.00 0.00 0.00 174.94 176.47 3hjb s ASN 6 N 1.17 6.56 0.53 3.58 3.84 -1.26 -4.52 114.94 124.83 3hjb s ASN 6 Ca 0.52 1.27 0.21 0.00 0.21 0.00 0.00 52.86 55.07 3hjb s ASN 6 Cb -0.21 -2.54 1.42 0.00 -0.55 0.00 0.00 41.25 39.37 3hjb s ASN 6 CO 0.22 -1.17 2.16 1.55 -2.79 0.00 0.00 177.10 177.07 3hjb h PRO 7 N 9.83 0.00 0.00 0.43 0.13 -1.90 -2.30 132.00 138.19 3hjb h PRO 7 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hjb h PRO 7 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hjb h PRO 7 CO 1.03 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 179.08 3hjb n THR 8 N -4.23 0.75 1.17 1.56 -2.24 -1.26 -2.30 114.28 107.72 3hjb n THR 8 Ca -0.03 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3hjb n THR 8 Cb 0.12 -0.98 0.23 0.00 -2.10 0.00 0.00 70.33 67.60 3hjb n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hjb n GLN 9 N -2.19 1.55 -2.41 -0.78 1.13 -0.86 -4.72 117.38 109.10 3hjb n GLN 9 Ca 0.03 -1.15 -0.32 0.00 -1.94 0.00 0.00 57.00 53.62 3hjb n GLN 9 Cb 0.28 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 3hjb n GLN 9 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hjb s THR 10 N -2.24 4.38 0.31 5.09 -4.23 -0.97 -4.96 115.64 113.01 3hjb s THR 10 Ca 0.27 1.20 0.01 0.00 -1.18 0.00 0.00 61.69 61.99 3hjb s THR 10 Cb 0.20 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.57 3hjb s THR 10 CO 0.43 -0.60 1.88 1.56 -0.54 0.00 0.00 174.62 177.35 3hjb h GLN 11 N 1.00 0.75 -0.84 3.99 4.20 -1.92 -2.72 115.11 119.57 3hjb h GLN 11 Ca -0.47 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.08 3hjb h GLN 11 Cb 1.19 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.81 3hjb h GLN 11 CO 0.61 0.65 0.40 0.00 -0.67 0.00 0.00 178.83 179.82 3hjb h ALA 12 N 1.44 1.08 -0.46 3.87 0.00 -1.90 -0.12 119.26 123.17 3hjb h ALA 12 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hjb h ALA 12 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hjb h ALA 12 CO -0.01 0.65 0.03 2.35 0.00 0.00 0.00 179.25 182.26 3hjb h TRP 13 N 1.19 0.87 -0.66 0.00 2.91 -1.74 0.69 115.95 119.21 3hjb h TRP 13 Ca 0.29 -0.14 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 3hjb h TRP 13 Cb 0.12 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.51 3hjb h TRP 13 CO 0.01 0.83 0.29 0.87 -1.03 0.00 0.00 178.44 179.41 3hjb h LYS 14 N 0.66 0.95 -0.62 2.65 1.57 -1.17 -0.62 116.57 119.99 3hjb h LYS 14 Ca 0.13 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3hjb h LYS 14 Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3hjb h LYS 14 CO 0.02 0.76 0.04 0.00 -0.57 0.00 0.00 179.45 179.70 3hjb h ALA 15 N 1.37 0.89 -0.72 3.86 0.00 -0.51 -1.74 119.26 122.42 3hjb h ALA 15 Ca 0.23 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3hjb h ALA 15 Cb 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3hjb h ALA 15 CO -0.02 0.66 0.19 -0.07 0.00 0.00 0.00 179.25 180.01 3hjb h LEU 16 N 0.98 1.09 -0.31 0.00 3.38 -0.21 -0.13 115.31 120.11 3hjb h LEU 16 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hjb h LEU 16 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hjb h LEU 16 CO 0.02 1.03 0.20 0.74 0.09 0.00 0.00 178.44 180.52 3hjb h THR 17 N 1.09 1.09 -0.70 0.22 2.02 -0.92 0.13 112.91 115.84 3hjb h THR 17 Ca 0.23 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3hjb h THR 17 Cb 0.36 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3hjb h THR 17 CO 0.00 0.09 0.28 0.00 0.37 0.00 0.00 175.52 176.25 3hjb h ALA 18 N 1.10 0.91 -0.54 6.16 0.00 -1.07 -2.26 119.26 123.56 3hjb h ALA 18 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hjb h ALA 18 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hjb h ALA 18 CO -0.02 0.54 0.11 1.25 0.00 0.00 0.00 179.25 181.13 3hjb h HIS 19 N 1.01 0.94 -0.63 0.00 6.17 -0.73 -2.56 115.15 119.34 3hjb h HIS 19 Ca 0.23 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 3hjb h HIS 19 Cb 0.22 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 29.86 3hjb h HIS 19 CO 0.02 0.82 0.33 0.35 0.71 0.00 0.00 177.93 180.16 3hjb h PHE 20 N 0.78 0.88 -0.86 5.26 3.57 -0.57 -0.04 116.94 125.96 3hjb h PHE 20 Ca 0.17 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3hjb h PHE 20 Cb 0.37 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3hjb h PHE 20 CO 0.03 0.64 0.54 1.49 -2.23 0.00 0.00 178.31 178.78 3hjb h GLU 21 N 0.86 0.99 0.00 1.11 4.57 -1.19 -0.70 114.58 120.22 3hjb h GLU 21 Ca 0.22 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3hjb h GLU 21 Cb 0.07 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3hjb h GLU 21 CO -0.03 0.66 -0.79 -1.13 -1.18 0.00 0.00 179.01 176.53 3hjb n SER 22 N -4.59 0.63 -0.09 1.04 3.41 -0.99 -4.45 113.62 108.59 3hjb n SER 22 Ca 0.12 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3hjb n SER 22 Cb 0.14 0.53 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 3hjb n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjb n ALA 23 N -1.70 1.40 0.30 7.33 0.00 -0.05 -4.86 120.51 122.92 3hjb n ALA 23 Ca 0.03 -0.77 0.19 0.00 0.00 0.00 0.00 53.44 52.90 3hjb n ALA 23 Cb 0.40 -0.10 1.01 0.00 0.00 0.00 0.00 19.45 20.75 3hjb n ALA 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3hjb h GLN 24 N 0.00 0.00 -0.55 0.00 3.07 -1.29 -1.09 115.11 115.26 3hjb h GLN 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hjb h GLN 24 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.54 3hjb h GLN 24 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.67 3hjb n ASP 25 N -3.31 2.80 -4.54 0.06 8.00 -1.26 -4.96 116.55 113.34 3hjb n ASP 25 Ca -0.02 -2.19 -0.50 0.00 0.71 0.00 0.00 54.79 52.80 3hjb n ASP 25 Cb 0.20 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 3hjb n ASP 25 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3hjb n MET 26 N 0.61 0.83 -4.72 -1.24 1.56 -0.41 -4.95 117.12 108.80 3hjb n MET 26 Ca 0.15 0.29 -0.32 0.00 -0.27 0.00 0.00 57.70 57.56 3hjb n MET 26 Cb 0.52 -1.69 -0.17 0.00 2.15 0.00 0.00 33.22 34.03 3hjb n MET 26 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3hjb s ASP 27 N -0.23 2.96 0.24 6.12 2.15 -1.26 -5.01 116.67 121.63 3hjb s ASP 27 Ca 0.72 -0.56 -0.07 0.00 0.43 0.00 0.00 52.55 53.08 3hjb s ASP 27 Cb -0.90 -1.36 0.22 0.00 -0.30 0.00 0.00 42.92 40.58 3hjb s ASP 27 CO 0.54 0.08 1.87 -0.07 -0.17 0.00 0.00 175.17 177.43 3hjb h LEU 28 N 7.23 1.14 -0.61 -1.34 3.38 -1.93 -1.48 115.31 121.70 3hjb h LEU 28 Ca -0.30 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3hjb h LEU 28 Cb 1.20 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3hjb h LEU 28 CO 0.53 0.89 0.36 0.50 0.09 0.00 0.00 178.44 180.81 3hjb h LYS 29 N 1.30 0.67 -0.48 1.13 3.64 -1.91 -1.43 116.57 119.48 3hjb h LYS 29 Ca 0.33 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 3hjb h LYS 29 Cb -0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3hjb h LYS 29 CO -0.06 0.44 -0.06 0.00 -2.27 0.00 0.00 179.45 177.51 3hjb h ALA 30 N 1.29 0.65 -0.73 5.00 0.00 -1.91 -1.25 119.26 122.32 3hjb h ALA 30 Ca 0.26 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hjb h ALA 30 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3hjb h ALA 30 CO -0.13 0.51 0.47 -0.07 0.00 0.00 0.00 179.25 180.03 3hjb h LEU 31 N 0.74 0.81 -0.29 0.00 3.38 -0.77 -1.62 115.31 117.55 3hjb h LEU 31 Ca 0.13 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 3hjb h LEU 31 Cb 0.59 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hjb h LEU 31 CO 0.04 0.57 -0.67 -0.26 0.09 0.00 0.00 178.44 178.21 3hjb h PHE 32 N 0.95 0.94 -0.57 1.13 0.04 -1.22 -3.12 116.94 115.09 3hjb h PHE 32 Ca 0.28 -0.38 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3hjb h PHE 32 Cb -0.07 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 3hjb h PHE 32 CO -0.03 1.18 0.26 0.00 -0.60 0.00 0.00 178.31 179.12 3hjb h ALA 33 N 0.72 1.39 -0.00 2.45 0.00 -0.94 -3.05 119.26 119.82 3hjb h ALA 33 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hjb h ALA 33 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hjb h ALA 33 CO 0.14 0.47 -0.29 1.04 0.00 0.00 0.00 179.25 180.61 3hjb n GLN 34 N -4.35 0.40 -3.40 0.00 6.02 -0.64 -4.68 117.38 110.73 3hjb n GLN 34 Ca 0.05 -0.20 -0.17 0.00 -0.01 0.00 0.00 57.00 56.68 3hjb n GLN 34 Cb 0.14 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 3hjb n GLN 34 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hjb s ASP 35 N -2.74 1.54 0.41 1.08 2.15 -1.15 -5.00 116.67 112.95 3hjb s ASP 35 Ca 0.19 -0.66 0.28 0.00 0.43 0.00 0.00 52.55 52.80 3hjb s ASP 35 Cb 0.19 0.55 1.40 0.00 -0.30 0.00 0.00 42.92 44.76 3hjb s ASP 35 CO 0.58 -0.38 1.86 0.77 -0.17 0.00 0.00 175.17 177.83 3hjb h SER 36 N 8.26 0.00 -0.60 -0.34 4.64 -1.84 -2.16 113.55 121.52 3hjb h SER 36 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3hjb h SER 36 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hjb h SER 36 CO 0.33 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.67 3hjb n GLU 37 N -2.53 4.01 -0.07 4.77 -0.58 -1.26 -4.63 120.64 120.35 3hjb n GLU 37 Ca -0.01 -2.83 -0.09 0.00 -0.42 0.00 0.00 57.16 53.81 3hjb n GLU 37 Cb 0.13 -2.00 -0.02 0.00 -0.57 0.00 0.00 31.44 28.98 3hjb n GLU 37 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3hjb h ARG 38 N 3.89 0.31 -0.43 3.49 2.43 -1.74 -0.64 114.38 121.69 3hjb h ARG 38 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3hjb h ARG 38 Cb 1.58 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.03 3hjb h ARG 38 CO 0.31 0.20 0.22 0.35 -1.51 0.00 0.00 179.97 179.55 3hjb h PHE 39 N 0.32 0.42 -0.73 2.20 3.57 -1.86 -0.80 116.94 120.06 3hjb h PHE 39 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3hjb h PHE 39 Cb -0.01 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3hjb h PHE 39 CO -0.07 0.22 0.46 0.00 -2.23 0.00 0.00 178.31 176.68 3hjb h ALA 40 N 1.22 1.43 0.00 2.41 0.00 -1.74 -2.69 119.26 119.89 3hjb h ALA 40 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hjb h ALA 40 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hjb h ALA 40 CO -0.12 0.51 -0.51 0.87 0.00 0.00 0.00 179.25 180.00 3hjb h LYS 41 N 1.00 0.00 -1.17 0.00 1.57 -0.74 -3.34 116.57 113.89 3hjb h LYS 41 Ca 0.27 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.45 3hjb h LYS 41 Cb -0.07 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.84 3hjb h LYS 41 CO -0.05 0.51 -0.48 0.66 -0.57 0.00 0.00 179.45 179.52 3hjb n TYR 42 N -3.24 3.07 -3.83 -1.35 4.02 -0.34 -4.99 117.16 110.51 3hjb n TYR 42 Ca 0.02 -2.65 -0.10 0.00 -0.01 0.00 0.00 57.90 55.15 3hjb n TYR 42 Cb 0.73 -0.41 -0.08 0.00 -0.02 0.00 0.00 39.34 39.56 3hjb n TYR 42 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hjb s SER 43 N -3.21 0.01 0.01 7.72 1.04 -1.12 -1.09 113.70 117.07 3hjb s SER 43 Ca 0.51 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 3hjb s SER 43 Cb 0.42 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 3hjb s SER 43 CO -0.09 -0.59 -0.02 0.00 0.98 0.00 0.00 173.24 173.53 3hjb s ALA 44 N -2.69 0.07 -0.11 5.32 0.00 -0.03 -4.99 121.76 119.34 3hjb s ALA 44 Ca -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3hjb s ALA 44 Cb -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3hjb s ALA 44 CO -0.05 -0.11 -0.03 1.03 0.00 0.00 0.00 175.76 176.61 3hjb s ARG 45 N -0.98 3.17 -0.20 0.00 1.81 -1.26 -0.60 118.95 120.89 3hjb s ARG 45 Ca -0.11 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 3hjb s ARG 45 Cb -0.07 -2.79 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 3hjb s ARG 45 CO -0.01 0.54 -0.15 0.12 -0.68 0.00 0.00 175.30 175.12 3hjb s PHE 46 N -0.44 2.89 0.00 -0.53 5.36 -0.18 -5.00 117.98 120.07 3hjb s PHE 46 Ca 0.07 -1.57 0.00 0.00 -0.96 0.00 0.00 56.93 54.47 3hjb s PHE 46 Cb -0.12 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 3hjb s PHE 46 CO 0.02 -0.76 0.00 0.41 -1.46 0.00 0.00 175.22 173.43 3hjb n GLY 47 N 4.64 0.99 0.03 13.12 0.00 -1.26 -2.42 105.19 120.29 3hjb n GLY 47 Ca -0.19 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.30 3hjb n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hjb n GLN 48 N 0.00 0.24 -0.02 1.61 6.02 -1.26 -4.57 117.38 119.40 3hjb n GLN 48 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3hjb n GLN 48 Cb 0.00 -1.58 0.03 0.00 1.02 0.00 0.00 30.24 29.71 3hjb n GLN 48 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hjb n ASP 49 N -1.89 1.73 -3.93 1.08 8.00 -1.23 -4.96 116.55 115.35 3hjb n ASP 49 Ca 0.02 -1.52 -0.18 0.00 0.71 0.00 0.00 54.79 53.82 3hjb n ASP 49 Cb 0.42 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.33 3hjb n ASP 49 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hjb s ILE 50 N -0.60 0.50 -0.13 0.53 1.01 -1.01 -0.44 121.20 121.05 3hjb s ILE 50 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3hjb s ILE 50 Cb 0.03 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 42.02 3hjb s ILE 50 CO 0.04 0.18 -0.21 -0.22 0.00 0.00 0.00 174.94 174.74 3hjb s LEU 51 N 0.44 2.17 -0.32 2.97 2.96 -0.00 -1.01 118.68 125.88 3hjb s LEU 51 Ca -0.05 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3hjb s LEU 51 Cb -0.09 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.19 3hjb s LEU 51 CO -0.00 0.10 0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 3hjb s VAL 52 N 0.70 3.28 -0.37 1.68 1.01 0.23 -0.82 120.40 126.12 3hjb s VAL 52 Ca -0.10 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 3hjb s VAL 52 Cb -0.16 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.32 3hjb s VAL 52 CO 0.01 -0.18 0.24 -0.62 0.00 0.00 0.00 175.10 174.55 3hjb s ASP 53 N 1.36 5.90 -0.20 3.32 -1.08 0.54 -0.85 116.67 125.66 3hjb s ASP 53 Ca -0.03 -0.80 0.15 0.00 -0.52 0.00 0.00 52.55 51.35 3hjb s ASP 53 Cb -0.20 -2.09 0.49 0.00 -1.46 0.00 0.00 42.92 39.66 3hjb s ASP 53 CO -0.00 -0.36 1.39 0.00 0.52 0.00 0.00 175.17 176.72 3hjb n TYR 54 N 5.07 0.83 0.18 -5.34 0.18 -0.25 -1.19 117.16 116.64 3hjb n TYR 54 Ca -0.12 -1.11 0.07 0.00 1.88 0.00 0.00 57.90 58.62 3hjb n TYR 54 Cb 0.47 -0.34 0.22 0.00 -0.38 0.00 0.00 39.34 39.32 3hjb n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3hjb h SER 55 N 1.28 0.00 -0.45 9.48 4.64 -1.67 -3.23 113.55 123.61 3hjb h SER 55 Ca 0.06 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.08 3hjb h SER 55 Cb 1.43 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.39 3hjb h SER 55 CO 0.23 0.33 0.38 0.29 -0.87 0.00 0.00 176.83 177.20 3hjb n LYS 56 N -3.28 1.74 -4.19 4.77 5.02 -1.26 -4.88 118.16 116.08 3hjb n LYS 56 Ca 0.01 -1.46 -0.27 0.00 -2.02 0.00 0.00 58.31 54.58 3hjb n LYS 56 Cb 0.58 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 3hjb n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hjb s ASN 57 N 0.25 4.88 -1.54 4.39 0.01 -1.22 -1.42 114.94 120.29 3hjb s ASN 57 Ca 0.29 -0.36 -0.10 0.00 -0.71 0.00 0.00 52.86 51.98 3hjb s ASN 57 Cb 0.23 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.78 3hjb s ASN 57 CO 0.00 0.09 2.71 0.18 -1.51 0.00 0.00 177.10 178.57 3hjb n LEU 58 N -0.14 8.26 -4.02 0.60 4.77 -1.26 -4.83 117.00 120.38 3hjb n LEU 58 Ca -0.09 -4.42 -0.13 0.00 -0.03 0.00 0.00 56.01 51.34 3hjb n LEU 58 Cb 0.55 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 3hjb n LEU 58 CO 0.39 1.88 -0.40 0.68 -1.33 0.00 0.00 177.39 178.61 3hjb s VAL 59 N 1.80 0.45 0.21 4.08 -7.23 -1.26 -5.02 120.40 113.43 3hjb s VAL 59 Ca 0.62 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 3hjb s VAL 59 Cb 0.17 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.62 3hjb s VAL 59 CO -0.07 -0.24 0.06 -0.46 -0.31 0.00 0.00 175.10 174.08 3hjb n ASN 60 N 1.93 1.40 -0.18 4.85 0.23 -1.26 -4.99 115.26 117.24 3hjb n ASN 60 Ca -0.20 -2.09 0.03 0.00 -0.53 0.00 0.00 54.58 51.79 3hjb n ASN 60 Cb 0.56 0.45 0.30 0.00 -2.08 0.00 0.00 39.78 39.01 3hjb n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hjb h ALA 61 N 1.30 1.57 -0.24 -2.53 0.00 -2.02 -1.69 119.26 115.65 3hjb h ALA 61 Ca -0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hjb h ALA 61 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hjb h ALA 61 CO 0.27 0.36 0.06 1.49 0.00 0.00 0.00 179.25 181.43 3hjb h GLU 62 N 0.88 0.39 -0.43 0.00 4.81 -1.99 -1.46 114.58 116.77 3hjb h GLU 62 Ca 0.28 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3hjb h GLU 62 Cb 0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3hjb h GLU 62 CO -0.08 0.49 0.18 1.15 -0.73 0.00 0.00 179.01 180.03 3hjb h THR 63 N 0.21 0.91 -0.64 0.32 2.02 -1.72 -1.38 112.91 112.63 3hjb h THR 63 Ca 0.08 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3hjb h THR 63 Cb 0.28 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3hjb h THR 63 CO 0.00 0.07 0.11 0.24 0.37 0.00 0.00 175.52 176.31 3hjb h MET 64 N 0.37 1.06 -0.29 6.66 2.86 -1.26 -0.46 114.93 123.86 3hjb h MET 64 Ca 0.20 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3hjb h MET 64 Cb 0.15 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3hjb h MET 64 CO -0.17 0.98 0.09 0.37 1.06 0.00 0.00 176.91 179.24 3hjb h GLN 65 N 0.98 0.21 -0.32 1.72 4.15 -0.76 -0.30 115.11 120.79 3hjb h GLN 65 Ca 0.20 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 3hjb h GLN 65 Cb 0.42 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3hjb h GLN 65 CO 0.01 0.14 -0.28 0.45 -1.93 0.00 0.00 178.83 177.23 3hjb h HIS 66 N 0.22 0.74 -0.26 3.99 3.86 -0.97 -1.59 115.15 121.15 3hjb h HIS 66 Ca 0.13 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 3hjb h HIS 66 Cb 0.11 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3hjb h HIS 66 CO -0.14 0.85 0.05 -0.07 0.86 0.00 0.00 177.93 179.48 3hjb h LEU 67 N 0.56 0.41 -1.05 2.43 3.38 -0.67 -1.05 115.31 119.33 3hjb h LEU 67 Ca 0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3hjb h LEU 67 Cb 0.76 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hjb h LEU 67 CO 0.06 0.56 0.05 -0.26 0.09 0.00 0.00 178.44 178.94 3hjb h PHE 68 N 0.25 0.76 -0.64 1.13 0.04 -0.99 -1.91 116.94 115.58 3hjb h PHE 68 Ca 0.08 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3hjb h PHE 68 Cb 0.32 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3hjb h PHE 68 CO 0.02 0.68 0.33 0.00 -0.60 0.00 0.00 178.31 178.75 3hjb h ALA 69 N 1.36 1.39 -0.56 2.45 0.00 -1.03 -1.97 119.26 120.89 3hjb h ALA 69 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hjb h ALA 69 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 69 CO 0.01 0.50 0.23 1.25 0.00 0.00 0.00 179.25 181.24 3hjb h LEU 70 N 0.89 0.76 -0.72 0.00 5.85 -0.43 0.24 115.31 121.90 3hjb h LEU 70 Ca 0.23 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hjb h LEU 70 Cb 0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3hjb h LEU 70 CO -0.03 0.72 0.48 0.00 -0.34 0.00 0.00 178.44 179.26 3hjb h ALA 71 N 1.08 0.92 -0.13 1.25 0.00 -0.87 -2.09 119.26 119.41 3hjb h ALA 71 Ca 0.19 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3hjb h ALA 71 Cb 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hjb h ALA 71 CO -0.02 0.34 -0.68 0.87 0.00 0.00 0.00 179.25 179.77 3hjb h LYS 72 N 0.98 0.55 0.00 0.00 1.57 -1.14 -2.34 116.57 116.18 3hjb h LYS 72 Ca 0.27 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3hjb h LYS 72 Cb -0.11 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hjb h LYS 72 CO -0.06 1.03 -0.06 1.49 -0.57 0.00 0.00 179.45 181.29 3hjb h GLU 73 N 0.39 0.00 -0.37 3.15 4.81 -0.74 -2.29 114.58 119.52 3hjb h GLU 73 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hjb h GLU 73 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3hjb h GLU 73 CO 0.13 0.06 0.00 0.25 -0.73 0.00 0.00 179.01 178.71 3hjb n THR 74 N -3.19 0.48 -3.61 0.32 -2.24 -0.80 -4.96 114.28 100.28 3hjb n THR 74 Ca 0.00 -0.64 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 3hjb n THR 74 Cb 0.33 0.67 0.06 0.00 -2.10 0.00 0.00 70.33 69.28 3hjb n THR 74 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hjb n ASP 75 N 1.09 -1.98 -0.34 3.42 -0.08 -0.86 -4.78 116.55 113.02 3hjb n ASP 75 Ca 0.18 -0.73 -0.03 0.00 -1.51 0.00 0.00 54.79 52.71 3hjb n ASP 75 Cb 0.50 -4.50 0.10 0.00 2.34 0.00 0.00 41.12 39.56 3hjb n ASP 75 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3hjb h LEU 76 N -1.94 1.03 -1.05 -2.67 5.85 -1.66 -2.75 115.31 112.12 3hjb h LEU 76 Ca -0.60 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.11 3hjb h LEU 76 Cb 1.35 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 3hjb h LEU 76 CO 0.55 0.74 0.64 -0.61 -0.34 0.00 0.00 178.44 179.42 3hjb h GLN 77 N 1.21 1.27 -0.52 1.25 5.75 -1.91 -1.32 115.11 120.84 3hjb h GLN 77 Ca 0.34 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.71 3hjb h GLN 77 Cb -0.11 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.13 3hjb h GLN 77 CO -0.08 0.84 0.10 0.77 -2.65 0.00 0.00 178.83 177.81 3hjb h SER 78 N 1.31 0.75 -0.51 -0.69 0.02 -1.78 -1.87 113.55 110.77 3hjb h SER 78 Ca 0.36 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 3hjb h SER 78 Cb -0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3hjb h SER 78 CO -0.08 0.75 -0.01 0.00 -1.14 0.00 0.00 176.83 176.35 3hjb h ALA 79 N 1.34 0.68 -0.08 3.77 0.00 -1.13 -0.59 119.26 123.26 3hjb h ALA 79 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hjb h ALA 79 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hjb h ALA 79 CO 0.00 0.50 0.00 0.82 0.00 0.00 0.00 179.25 180.58 3hjb h ILE 80 N 0.77 0.95 -0.62 0.00 2.04 -1.01 -1.63 117.51 118.01 3hjb h ILE 80 Ca 0.14 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.04 3hjb h ILE 80 Cb 0.53 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3hjb h ILE 80 CO 0.03 0.01 0.35 0.74 0.00 0.00 0.00 178.15 179.28 3hjb h THR 81 N 0.03 1.00 -0.54 -0.27 2.02 -1.18 -2.20 112.91 111.77 3hjb h THR 81 Ca 0.04 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3hjb h THR 81 Cb 0.04 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3hjb h THR 81 CO -0.06 0.12 0.34 0.00 0.37 0.00 0.00 175.52 176.29 3hjb h ALA 82 N 1.31 0.69 0.33 6.16 0.00 -0.69 -1.18 119.26 125.88 3hjb h ALA 82 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3hjb h ALA 82 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hjb h ALA 82 CO -0.15 0.08 -0.16 1.98 0.00 0.00 0.00 179.25 181.00 3hjb h MET 83 N 0.69 -0.43 -0.11 0.00 -1.53 -0.91 -1.90 114.93 110.74 3hjb h MET 83 Ca 0.21 0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.45 3hjb h MET 83 Cb -0.03 0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 3hjb h MET 83 CO -0.07 -0.27 -0.16 0.74 0.14 0.00 0.00 176.91 177.30 3hjb h PHE 84 N -0.47 0.18 -0.00 1.39 -1.00 -1.20 -2.53 116.94 113.30 3hjb h PHE 84 Ca -0.05 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3hjb h PHE 84 Cb 0.36 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3hjb h PHE 84 CO -0.05 0.33 -0.08 0.36 -1.61 0.00 0.00 178.31 177.27 3hjb n LYS 85 N -4.27 0.64 -0.31 1.51 2.85 -0.46 -4.93 118.16 113.18 3hjb n LYS 85 Ca -0.01 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 3hjb n LYS 85 Cb 0.27 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 3hjb n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hjb n GLY 86 N 1.27 0.84 3.76 2.58 0.00 -0.95 -4.32 105.19 108.35 3hjb n GLY 86 Ca 0.15 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hjb n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hjb s GLU 87 N -0.67 3.41 -1.39 1.61 2.12 -0.73 -4.69 118.70 118.36 3hjb s GLU 87 Ca 0.00 2.23 -0.13 0.00 0.36 0.00 0.00 54.97 57.42 3hjb s GLU 87 Cb 0.00 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 3hjb s GLU 87 CO 0.00 -0.97 2.39 0.00 -0.54 0.00 0.00 175.26 176.14 3hjb n ALA 88 N -0.66 5.79 0.36 6.30 0.00 -1.26 -4.23 120.51 126.82 3hjb n ALA 88 Ca 0.08 -3.60 0.14 0.00 0.00 0.00 0.00 53.44 50.05 3hjb n ALA 88 Cb 0.44 -3.47 0.55 0.00 0.00 0.00 0.00 19.45 16.97 3hjb n ALA 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3hjb h ILE 89 N 3.75 0.00 -1.63 0.00 3.07 -1.86 -3.30 117.51 117.54 3hjb h ILE 89 Ca 0.63 -0.32 -0.71 0.00 1.55 0.00 0.00 64.86 66.01 3hjb h ILE 89 Cb 0.52 1.13 -0.14 0.00 -0.27 0.00 0.00 36.82 38.06 3hjb h ILE 89 CO 1.84 0.00 1.70 0.21 -1.05 0.00 0.00 178.15 180.86 3hjb s ASN 90 N -4.69 6.97 0.27 2.16 3.84 -0.64 -4.82 114.94 118.03 3hjb s ASN 90 Ca 0.03 -2.76 0.09 0.00 0.21 0.00 0.00 52.86 50.43 3hjb s ASN 90 Cb 0.09 -2.48 0.33 0.00 -0.55 0.00 0.00 41.25 38.65 3hjb s ASN 90 CO 0.44 -0.93 1.60 1.56 -2.79 0.00 0.00 177.10 176.99 3hjb h GLN 91 N 7.34 0.06 0.00 0.43 4.20 -1.81 0.87 115.11 126.20 3hjb h GLN 91 Ca 0.37 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3hjb h GLN 91 Cb 0.87 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3hjb h GLN 91 CO 1.33 0.65 -0.31 1.79 -0.67 0.00 0.00 178.83 181.63 3hjb h THR 92 N 0.04 0.80 -0.02 -0.54 1.35 -1.92 -2.68 112.91 109.95 3hjb h THR 92 Ca -0.01 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3hjb h THR 92 Cb 1.09 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3hjb h THR 92 CO 0.08 0.30 -0.12 -0.62 -0.25 0.00 0.00 175.52 174.91 3hjb n GLU 93 N -3.57 1.40 -3.57 4.72 1.02 -1.19 -5.02 120.64 114.44 3hjb n GLU 93 Ca -0.01 -1.15 -0.25 0.00 -0.02 0.00 0.00 57.16 55.73 3hjb n GLU 93 Cb 0.44 -1.27 0.04 0.00 -0.02 0.00 0.00 31.44 30.63 3hjb n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hjb n ASP 94 N 0.45 -5.75 -4.06 1.62 2.03 0.12 -5.02 116.55 105.93 3hjb n ASP 94 Ca 0.08 -0.87 -0.11 0.00 0.52 0.00 0.00 54.79 54.41 3hjb n ASP 94 Cb 0.35 -3.68 -0.11 0.00 -0.72 0.00 0.00 41.12 36.97 3hjb n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3hjb s ARG 95 N -5.35 0.52 0.92 -0.67 0.52 -0.15 -5.01 118.95 109.73 3hjb s ARG 95 Ca 0.38 -0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 3hjb s ARG 95 Cb -0.12 -0.15 0.14 0.00 0.52 0.00 0.00 34.95 35.34 3hjb s ARG 95 CO 0.84 0.01 1.13 0.00 0.02 0.00 0.00 175.30 177.29 3hjb s ALA 96 N -1.86 1.67 -0.35 2.13 0.00 -1.26 -1.63 121.76 120.46 3hjb s ALA 96 Ca -0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 3hjb s ALA 96 Cb -0.07 -3.05 0.12 0.00 0.00 0.00 0.00 23.12 20.12 3hjb s ALA 96 CO -0.01 -2.34 0.17 0.08 0.00 0.00 0.00 175.76 173.66 3hjb s VAL 97 N -3.22 0.75 -0.21 0.00 1.01 -1.26 -4.35 120.40 113.13 3hjb s VAL 97 Ca 0.64 -1.71 0.16 0.00 0.00 0.00 0.00 61.98 61.06 3hjb s VAL 97 Cb -0.15 -1.55 0.46 0.00 0.00 0.00 0.00 36.38 35.13 3hjb s VAL 97 CO 0.54 -0.81 1.17 0.18 0.00 0.00 0.00 175.10 176.18 3hjb n LEU 98 N 4.36 2.80 0.12 3.92 4.77 -0.43 -4.73 117.00 127.81 3hjb n LEU 98 Ca 0.03 -3.59 0.17 0.00 -0.03 0.00 0.00 56.01 52.59 3hjb n LEU 98 Cb 0.39 -0.11 0.72 0.00 -2.33 0.00 0.00 43.42 42.09 3hjb n LEU 98 CO 0.15 1.37 1.15 1.12 -1.33 0.00 0.00 177.39 179.84 3hjb h HIS 99 N 1.80 0.00 -0.13 -1.77 2.07 -1.87 -0.80 115.15 114.45 3hjb h HIS 99 Ca 0.04 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.53 3hjb h HIS 99 Cb 1.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.38 3hjb h HIS 99 CO 0.61 0.00 -0.06 1.79 -3.07 0.00 0.00 177.93 177.20 3hjb h THR 100 N 0.00 1.12 -0.04 6.12 1.35 -1.95 -2.21 112.91 117.31 3hjb h THR 100 Ca 0.15 -0.51 -0.10 0.00 -0.55 0.00 0.00 66.41 65.40 3hjb h THR 100 Cb 0.64 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3hjb h THR 100 CO -0.00 0.16 -0.42 0.00 -0.25 0.00 0.00 175.52 175.01 3hjb h ALA 101 N 1.77 1.23 -0.07 6.62 0.00 -1.51 -2.89 119.26 124.40 3hjb h ALA 101 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3hjb h ALA 101 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hjb h ALA 101 CO 0.01 0.55 0.05 -0.07 0.00 0.00 0.00 179.25 179.79 3hjb h LEU 102 N 0.07 0.03 -3.15 0.00 3.38 -1.37 -2.38 115.31 111.88 3hjb h LEU 102 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hjb h LEU 102 Cb 0.78 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hjb h LEU 102 CO 0.06 0.02 -0.00 -2.11 0.09 0.00 0.00 178.44 176.49 3hjb n ARG 103 N -4.52 2.23 -2.23 1.13 1.85 -1.14 -4.92 116.66 109.07 3hjb n ARG 103 Ca -0.02 -2.74 -0.37 0.00 -1.00 0.00 0.00 57.85 53.72 3hjb n ARG 103 Cb 0.13 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 29.81 3hjb n ARG 103 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3hjb n ASN 104 N -0.90 3.99 0.26 2.89 5.15 -0.90 -4.38 115.26 121.37 3hjb n ASN 104 Ca 0.19 -2.81 0.12 0.00 -0.60 0.00 0.00 54.58 51.48 3hjb n ASN 104 Cb 0.79 -1.70 0.71 0.00 -0.53 0.00 0.00 39.78 39.06 3hjb n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3hjb h ARG 105 N 8.30 0.00 0.00 1.20 2.47 -1.90 -1.65 114.38 122.80 3hjb h ARG 105 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 3hjb h ARG 105 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 3hjb h ARG 105 CO 1.43 0.12 0.00 0.77 0.56 0.00 0.00 179.97 182.85 3hjb h SER 106 N 0.00 0.00 -0.77 7.04 0.02 -2.00 -3.46 113.55 114.38 3hjb h SER 106 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3hjb h SER 106 Cb 0.30 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.71 3hjb h SER 106 CO 0.02 0.00 -0.30 0.59 -1.14 0.00 0.00 176.83 176.00 3hjb n ASN 107 N -2.88 -5.22 -4.77 3.07 5.03 -0.62 -4.97 115.26 104.90 3hjb n ASN 107 Ca 0.01 0.40 -0.40 0.00 0.87 0.00 0.00 54.58 55.46 3hjb n ASN 107 Cb 0.28 -4.14 0.00 0.00 -1.02 0.00 0.00 39.78 34.90 3hjb n ASN 107 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3hjb s SER 108 N -2.72 6.18 0.49 6.41 1.04 -1.26 -4.91 113.70 118.92 3hjb s SER 108 Ca 0.00 2.81 -0.24 0.00 0.48 0.00 0.00 55.95 59.00 3hjb s SER 108 Cb 0.00 -2.65 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 3hjb s SER 108 CO 0.00 -0.96 1.41 -2.84 0.98 0.00 0.00 173.24 171.83 3hjb s PRO 109 N -2.28 3.46 -0.20 4.02 0.02 -1.26 -4.93 135.00 133.84 3hjb s PRO 109 Ca 0.57 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 63.96 3hjb s PRO 109 Cb -0.41 -2.50 0.05 0.00 0.02 0.00 0.00 34.50 31.65 3hjb s PRO 109 CO 0.54 -0.98 -0.05 0.08 -0.33 0.00 0.00 177.00 176.26 3hjb s VAL 110 N -1.23 1.25 -0.10 3.83 1.01 -1.26 -5.04 120.40 118.86 3hjb s VAL 110 Ca 0.65 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 3hjb s VAL 110 Cb -0.43 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3hjb s VAL 110 CO 0.54 0.02 0.28 -0.76 0.00 0.00 0.00 175.10 175.18 3hjb s LEU 111 N 1.55 4.36 -0.15 3.92 1.43 -1.26 -0.87 118.68 127.66 3hjb s LEU 111 Ca -0.02 0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3hjb s LEU 111 Cb -0.17 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.74 3hjb s LEU 111 CO -0.07 0.27 -0.06 -0.69 0.23 0.00 0.00 176.35 176.03 3hjb s VAL 112 N -0.49 1.08 -1.46 -1.59 1.01 -0.54 -4.39 120.40 114.02 3hjb s VAL 112 Ca 0.18 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3hjb s VAL 112 Cb -0.14 -1.20 0.05 0.00 0.00 0.00 0.00 36.38 35.09 3hjb s VAL 112 CO 0.07 0.21 1.05 0.59 0.00 0.00 0.00 175.10 177.02 3hjb n ASN 113 N 4.90 -5.56 0.00 3.32 3.02 -1.26 -2.08 115.26 117.60 3hjb n ASN 113 Ca -0.12 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3hjb n ASN 113 Cb 0.48 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 3hjb n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjb n GLY 114 N -1.82 0.50 3.18 7.41 0.00 -1.26 -5.02 105.19 108.18 3hjb n GLY 114 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3hjb n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjb s GLU 115 N -0.38 2.47 0.09 1.61 0.41 -0.88 -5.03 118.70 116.99 3hjb s GLU 115 Ca 0.00 -0.76 -0.31 0.00 -0.41 0.00 0.00 54.97 53.50 3hjb s GLU 115 Cb 0.00 -1.98 -0.08 0.00 -1.78 0.00 0.00 34.13 30.29 3hjb s GLU 115 CO 0.00 0.21 1.56 0.34 -0.49 0.00 0.00 175.26 176.88 3hjb s ASP 116 N 0.23 6.66 0.00 -0.19 2.15 -1.26 -1.47 116.67 122.80 3hjb s ASP 116 Ca -0.12 2.45 0.26 0.00 0.43 0.00 0.00 52.55 55.57 3hjb s ASP 116 Cb -0.15 -2.57 0.65 0.00 -0.30 0.00 0.00 42.92 40.54 3hjb s ASP 116 CO 0.06 -0.81 1.51 1.33 -0.17 0.00 0.00 175.17 177.08 3hjb n VAL 117 N 4.39 0.00 -0.22 1.11 0.24 -0.05 -4.38 118.33 119.42 3hjb n VAL 117 Ca 0.14 -0.01 -0.02 0.00 -2.04 0.00 0.00 64.34 62.41 3hjb n VAL 117 Cb 0.41 0.15 0.18 0.00 -1.47 0.00 0.00 33.84 33.10 3hjb n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3hjb h MET 118 N 0.11 1.02 -0.92 7.34 2.86 -1.91 -2.06 114.93 121.36 3hjb h MET 118 Ca 0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3hjb h MET 118 Cb 0.50 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3hjb h MET 118 CO 0.00 0.78 0.61 -1.35 1.06 0.00 0.00 176.91 178.01 3hjb h PRO 119 N 1.02 1.21 -0.43 -0.22 0.11 -1.98 0.11 132.00 131.81 3hjb h PRO 119 Ca 0.25 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3hjb h PRO 119 Cb 0.09 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 3hjb h PRO 119 CO -0.03 0.80 -0.02 0.00 -0.21 0.00 0.00 178.00 178.54 3hjb h ALA 120 N 1.43 0.58 -0.01 -0.75 0.00 -1.74 -0.55 119.26 118.22 3hjb h ALA 120 Ca 0.34 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hjb h ALA 120 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hjb h ALA 120 CO -0.07 0.39 -0.08 0.28 0.00 0.00 0.00 179.25 179.77 3hjb h VAL 121 N 0.61 0.80 -0.07 0.00 2.07 -0.94 -2.77 116.25 115.94 3hjb h VAL 121 Ca 0.12 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3hjb h VAL 121 Cb 0.52 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3hjb h VAL 121 CO 0.03 0.00 -0.32 0.78 0.02 0.00 0.00 177.57 178.08 3hjb h ASN 122 N -0.12 0.13 -0.54 0.57 -0.26 -0.90 -2.07 115.58 112.39 3hjb h ASN 122 Ca 0.04 -0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.64 3hjb h ASN 122 Cb 0.17 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 3hjb h ASN 122 CO -0.09 0.45 -0.02 0.00 -1.06 0.00 0.00 177.43 176.72 3hjb h ALA 123 N 1.56 0.90 -0.24 -0.83 0.00 -0.91 0.49 119.26 120.23 3hjb h ALA 123 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3hjb h ALA 123 Cb 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hjb h ALA 123 CO 0.05 0.65 -0.26 0.28 0.00 0.00 0.00 179.25 179.97 3hjb h VAL 124 N 0.91 1.32 -0.50 0.00 2.07 -1.23 -1.71 116.25 117.11 3hjb h VAL 124 Ca 0.16 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.31 3hjb h VAL 124 Cb 0.55 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3hjb h VAL 124 CO 0.03 0.45 0.21 -0.07 0.02 0.00 0.00 177.57 178.21 3hjb h LEU 125 N 0.29 0.26 -0.87 2.57 3.38 -1.13 -0.09 115.31 119.71 3hjb h LEU 125 Ca 0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hjb h LEU 125 Cb 0.82 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3hjb h LEU 125 CO 0.06 0.18 0.40 0.00 0.09 0.00 0.00 178.44 179.18 3hjb h ALA 126 N 1.30 1.12 -0.58 1.53 0.00 -0.84 -0.29 119.26 121.50 3hjb h ALA 126 Ca 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hjb h ALA 126 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hjb h ALA 126 CO -0.20 0.66 0.04 -0.22 0.00 0.00 0.00 179.25 179.53 3hjb h LYS 127 N 1.20 0.99 -0.46 0.00 3.64 -0.83 -2.01 116.57 119.10 3hjb h LYS 127 Ca 0.29 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 3hjb h LYS 127 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hjb h LYS 127 CO -0.04 0.97 -0.18 0.52 -2.27 0.00 0.00 179.45 178.45 3hjb h MET 128 N 0.88 0.93 -0.01 1.90 2.86 -0.62 -1.17 114.93 119.71 3hjb h MET 128 Ca 0.17 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3hjb h MET 128 Cb 0.49 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3hjb h MET 128 CO 0.02 1.05 -0.10 -0.22 1.06 0.00 0.00 176.91 178.72 3hjb h LYS 129 N 0.77 -0.16 -0.36 1.72 3.64 -0.92 0.35 116.57 121.61 3hjb h LYS 129 Ca 0.11 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3hjb h LYS 129 Cb 0.75 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3hjb h LYS 129 CO 0.06 -0.11 0.22 0.00 -2.27 0.00 0.00 179.45 177.35 3hjb h ALA 130 N 0.82 0.46 -0.26 5.00 0.00 -1.26 -2.17 119.26 121.84 3hjb h ALA 130 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hjb h ALA 130 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hjb h ALA 130 CO -0.11 -0.04 0.15 0.35 0.00 0.00 0.00 179.25 179.61 3hjb h PHE 131 N 0.47 0.36 -0.59 0.00 3.57 -1.11 -2.87 116.94 116.77 3hjb h PHE 131 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hjb h PHE 131 Cb 0.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3hjb h PHE 131 CO -0.04 0.29 0.38 0.66 -2.23 0.00 0.00 178.31 177.38 3hjb h SER 132 N 0.32 0.67 -0.75 0.41 4.64 -0.69 -1.58 113.55 116.58 3hjb h SER 132 Ca 0.09 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3hjb h SER 132 Cb 0.04 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3hjb h SER 132 CO -0.02 0.49 0.23 -0.33 -0.87 0.00 0.00 176.83 176.33 3hjb h GLU 133 N 0.79 1.16 -0.54 4.77 5.08 -1.19 0.92 114.58 125.58 3hjb h GLU 133 Ca 0.21 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3hjb h GLU 133 Cb -0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3hjb h GLU 133 CO -0.05 0.99 -0.04 0.00 -1.00 0.00 0.00 179.01 178.91 3hjb h ARG 134 N 1.11 0.98 0.14 2.33 3.08 -1.19 -0.42 114.38 120.42 3hjb h ARG 134 Ca 0.24 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hjb h ARG 134 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hjb h ARG 134 CO -0.01 1.01 -0.07 0.28 -1.07 0.00 0.00 179.97 180.11 3hjb h VAL 135 N 0.85 0.99 -0.69 2.04 2.07 -1.05 -0.38 116.25 120.08 3hjb h VAL 135 Ca 0.15 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 3hjb h VAL 135 Cb 0.59 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3hjb h VAL 135 CO 0.04 0.23 0.26 0.40 0.02 0.00 0.00 177.57 178.51 3hjb h ILE 136 N -0.74 1.25 0.00 4.57 2.04 -0.88 -2.99 117.51 120.76 3hjb h ILE 136 Ca -0.02 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3hjb h ILE 136 Cb 0.52 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3hjb h ILE 136 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.11 3hjb n GLY 137 N -0.82 -1.40 0.86 5.37 0.00 -0.17 -4.92 105.19 104.12 3hjb n GLY 137 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hjb n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjb n GLY 138 N 0.84 0.73 0.24 -0.02 0.00 -1.05 -4.95 105.19 100.99 3hjb n GLY 138 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 3hjb n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hjb h GLU 139 N 4.02 0.52 -6.29 1.61 3.07 -1.57 -3.41 114.58 112.53 3hjb h GLU 139 Ca 0.00 -0.18 -0.57 0.00 -0.50 0.00 0.00 59.36 58.11 3hjb h GLU 139 Cb 0.00 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 27.81 3hjb h GLU 139 CO 0.00 0.70 0.87 -0.46 -1.40 0.00 0.00 179.01 178.72 3hjb s TRP 140 N -4.58 3.04 0.03 4.33 -0.11 -0.25 -5.01 118.94 116.39 3hjb s TRP 140 Ca -0.07 1.13 0.01 0.00 1.22 0.00 0.00 56.10 58.39 3hjb s TRP 140 Cb 0.14 -3.70 -0.04 0.00 -1.50 0.00 0.00 33.47 28.37 3hjb s TRP 140 CO 0.79 -1.03 0.08 0.15 -4.62 0.00 0.00 176.95 172.32 3hjb s LYS 141 N 3.72 2.97 1.13 5.86 -0.14 -1.26 -4.03 119.74 127.99 3hjb s LYS 141 Ca 0.48 -0.58 -0.19 0.00 -1.36 0.00 0.00 55.97 54.32 3hjb s LYS 141 Cb -0.14 -2.79 0.27 0.00 -1.68 0.00 0.00 37.83 33.49 3hjb s LYS 141 CO 0.16 0.61 1.18 0.41 -0.76 0.00 0.00 175.35 176.95 3hjb n GLY 142 N 0.88 -2.29 0.23 -3.33 0.00 0.91 -4.85 105.19 96.74 3hjb n GLY 142 Ca -0.11 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.49 3hjb n GLY 142 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3hjb h PHE 143 N -2.36 0.00 -0.50 1.61 -5.15 -1.89 -0.22 116.94 108.43 3hjb h PHE 143 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 3hjb h PHE 143 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 3hjb h PHE 143 CO 0.00 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.56 3hjb n THR 144 N -2.68 0.94 -0.54 0.88 -2.24 -1.26 -4.98 114.28 104.40 3hjb n THR 144 Ca -0.01 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3hjb n THR 144 Cb 0.15 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3hjb n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjb n GLY 145 N 1.04 0.71 3.92 3.38 0.00 -0.09 -5.07 105.19 109.08 3hjb n GLY 145 Ca 0.17 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3hjb n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjb s LYS 146 N -0.65 3.44 0.57 1.61 1.02 -1.26 -4.75 119.74 119.72 3hjb s LYS 146 Ca 0.00 -0.48 -0.19 0.00 0.02 0.00 0.00 55.97 55.33 3hjb s LYS 146 Cb 0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3hjb s LYS 146 CO 0.00 0.59 1.15 0.00 -0.92 0.00 0.00 175.35 176.17 3hjb s ALA 147 N -1.56 2.62 0.23 5.17 0.00 -1.26 -0.07 121.76 126.90 3hjb s ALA 147 Ca 0.35 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 3hjb s ALA 147 Cb -0.13 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3hjb s ALA 147 CO 0.28 -0.94 1.17 0.42 0.00 0.00 0.00 175.76 176.69 3hjb s ILE 148 N -1.80 3.46 -0.00 0.00 -1.09 -1.26 -4.74 121.20 115.77 3hjb s ILE 148 Ca 0.73 1.33 0.02 0.00 -2.23 0.00 0.00 60.65 60.50 3hjb s ILE 148 Cb -0.25 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3hjb s ILE 148 CO 0.30 0.26 0.03 0.35 -1.23 0.00 0.00 174.94 174.66 3hjb n THR 149 N 1.86 0.02 -4.22 2.92 -2.24 -0.09 -4.96 114.28 107.57 3hjb n THR 149 Ca 0.02 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 3hjb n THR 149 Cb 0.44 0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.78 3hjb n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hjb s ASP 150 N -2.35 0.79 -0.09 3.42 1.01 -0.99 -1.82 116.67 116.62 3hjb s ASP 150 Ca -0.01 -0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.14 3hjb s ASP 150 Cb 0.01 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.86 3hjb s ASP 150 CO 0.07 0.06 -0.23 -0.69 0.21 0.00 0.00 175.17 174.60 3hjb s VAL 151 N -0.24 1.96 -0.23 -1.27 1.01 -0.13 -1.09 120.40 120.39 3hjb s VAL 151 Ca 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3hjb s VAL 151 Cb -0.03 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.70 3hjb s VAL 151 CO -0.00 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 3hjb s VAL 152 N 0.34 2.30 -0.05 2.92 1.01 0.16 -0.22 120.40 126.86 3hjb s VAL 152 Ca -0.17 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 3hjb s VAL 152 Cb -0.17 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3hjb s VAL 152 CO 0.08 0.18 0.67 0.21 0.00 0.00 0.00 175.10 176.24 3hjb s ASN 153 N 1.21 6.99 -0.22 3.32 2.47 0.32 -0.68 114.94 128.34 3hjb s ASN 153 Ca -0.03 1.18 0.00 0.00 0.42 0.00 0.00 52.86 54.44 3hjb s ASN 153 Cb -0.17 -2.40 0.03 0.00 -1.45 0.00 0.00 41.25 37.26 3hjb s ASN 153 CO -0.07 -0.05 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.49 3hjb s ILE 154 N 0.51 2.39 -0.14 -5.21 1.01 0.54 -1.07 121.20 119.22 3hjb s ILE 154 Ca 0.35 -1.07 -0.34 0.00 0.00 0.00 0.00 60.65 59.60 3hjb s ILE 154 Cb -0.18 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.27 3hjb s ILE 154 CO 0.18 0.33 1.27 -0.83 0.00 0.00 0.00 174.94 175.88 3hjb s GLY 155 N 1.27 -0.33 0.17 6.18 0.00 -0.81 -0.75 107.32 113.06 3hjb s GLY 155 Ca 0.01 1.32 0.09 0.00 0.00 0.00 0.00 44.72 46.14 3hjb s GLY 155 CO -0.08 0.40 -0.19 -0.26 0.00 0.00 0.00 173.10 172.96 3hjb s ILE 156 N -2.36 1.93 0.00 0.90 -4.36 -1.26 -3.93 121.20 112.12 3hjb s ILE 156 Ca 0.11 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 3hjb s ILE 156 Cb 0.01 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.82 3hjb s ILE 156 CO -0.04 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 175.46 3hjb n GLY 157 N 0.26 3.54 0.32 6.27 0.00 -1.26 -1.34 105.19 112.98 3hjb n GLY 157 Ca -0.13 0.23 0.20 0.00 0.00 0.00 0.00 46.02 46.31 3hjb n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hjb h GLY 158 N 0.00 0.00 -0.79 -0.02 0.00 -1.97 -0.06 103.07 100.23 3hjb h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hjb h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3hjb n SER 159 N -3.40 1.68 0.01 0.19 7.64 -0.45 -4.48 113.62 114.80 3hjb n SER 159 Ca -0.03 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.17 3hjb n SER 159 Cb 0.08 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3hjb n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hjb n ASP 160 N 0.32 0.05 -0.19 6.43 2.03 -0.35 -4.48 116.55 120.36 3hjb n ASP 160 Ca 0.17 0.03 -0.07 0.00 0.52 0.00 0.00 54.79 55.44 3hjb n ASP 160 Cb 0.34 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.77 3hjb n ASP 160 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hjb h LEU 161 N 0.00 0.64 0.40 -2.67 3.38 -1.30 -0.95 115.31 114.80 3hjb h LEU 161 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hjb h LEU 161 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hjb h LEU 161 CO 0.00 0.46 -0.19 1.23 0.09 0.00 0.00 178.44 180.03 3hjb h GLY 162 N 0.75 -0.55 0.94 0.83 0.00 -1.80 -0.72 103.07 102.51 3hjb h GLY 162 Ca 0.20 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.78 3hjb h GLY 162 CO -0.04 -0.20 0.60 -2.55 0.00 0.00 0.00 176.54 174.35 3hjb h PRO 163 N -0.86 1.10 -0.14 4.80 0.11 -1.85 -0.30 132.00 134.87 3hjb h PRO 163 Ca -0.05 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 3hjb h PRO 163 Cb 0.55 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3hjb h PRO 163 CO 0.09 0.73 0.00 -0.92 -0.21 0.00 0.00 178.00 177.69 3hjb h TYR 164 N 1.13 0.26 -0.70 0.65 3.20 -1.17 -1.61 116.97 118.73 3hjb h TYR 164 Ca 0.37 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.22 3hjb h TYR 164 Cb 0.06 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3hjb h TYR 164 CO -0.00 0.47 0.45 1.98 -1.64 0.00 0.00 178.16 179.42 3hjb h MET 165 N -0.02 0.87 -0.18 1.82 4.05 -0.72 -1.17 114.93 119.57 3hjb h MET 165 Ca 0.04 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.29 3hjb h MET 165 Cb 0.36 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3hjb h MET 165 CO 0.01 0.57 -0.36 0.28 0.23 0.00 0.00 176.91 177.64 3hjb h VAL 166 N 0.89 1.34 -0.47 -5.77 2.07 -1.04 -0.09 116.25 113.18 3hjb h VAL 166 Ca 0.27 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 3hjb h VAL 166 Cb -0.03 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hjb h VAL 166 CO -0.09 0.49 0.07 0.71 0.02 0.00 0.00 177.57 178.78 3hjb h THR 167 N 0.22 1.22 -0.39 2.57 1.35 -1.20 -1.05 112.91 115.63 3hjb h THR 167 Ca 0.01 -0.82 -0.06 0.00 -0.55 0.00 0.00 66.41 64.98 3hjb h THR 167 Cb 0.95 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3hjb h THR 167 CO 0.08 0.30 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.32 3hjb h GLU 168 N 0.69 0.69 0.00 4.72 4.39 -1.07 -2.74 114.58 121.27 3hjb h GLU 168 Ca 0.15 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3hjb h GLU 168 Cb 0.32 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3hjb h GLU 168 CO 0.00 0.79 -0.21 0.00 -1.16 0.00 0.00 179.01 178.43 3hjb h ALA 169 N 0.88 1.50 -0.36 3.43 0.00 -0.58 -3.13 119.26 121.01 3hjb h ALA 169 Ca 0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3hjb h ALA 169 Cb 0.47 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3hjb h ALA 169 CO 0.02 0.26 0.01 1.28 0.00 0.00 0.00 179.25 180.82 3hjb n LEU 170 N -4.07 4.21 -0.34 0.00 4.77 -0.44 -4.74 117.00 116.40 3hjb n LEU 170 Ca -0.02 -3.43 0.19 0.00 -0.03 0.00 0.00 56.01 52.72 3hjb n LEU 170 Cb 0.28 -0.61 0.40 0.00 -2.33 0.00 0.00 43.42 41.16 3hjb n LEU 170 CO 0.35 0.98 1.16 0.58 -1.33 0.00 0.00 177.39 179.13 3hjb h VAL 171 N 1.36 0.50 -0.01 4.08 2.07 -1.43 0.88 116.25 123.69 3hjb h VAL 171 Ca 0.15 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hjb h VAL 171 Cb 1.65 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hjb h VAL 171 CO 0.37 0.10 0.06 -0.65 0.02 0.00 0.00 177.57 177.47 3hjb h PRO 172 N 0.53 0.00 -0.40 1.57 0.11 -1.89 -1.83 132.00 130.10 3hjb h PRO 172 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 3hjb h PRO 172 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3hjb h PRO 172 CO -0.49 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.96 3hjb n TYR 173 N -3.22 0.52 -2.06 0.65 4.01 0.30 -5.00 117.16 112.36 3hjb n TYR 173 Ca -0.02 -0.26 -0.32 0.00 -0.16 0.00 0.00 57.90 57.14 3hjb n TYR 173 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3hjb n TYR 173 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3hjb s LYS 174 N -1.48 3.46 0.00 -0.72 -2.85 -0.69 -4.54 119.74 112.92 3hjb s LYS 174 Ca 0.38 1.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.42 3hjb s LYS 174 Cb 0.22 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 3hjb s LYS 174 CO 0.30 -0.69 0.00 0.27 0.10 0.00 0.00 175.35 175.34 3hjb n ASN 175 N -2.11 0.00 0.15 0.03 0.23 -0.18 -4.97 115.26 108.41 3hjb n ASN 175 Ca 0.08 -0.70 0.13 0.00 -0.53 0.00 0.00 54.58 53.56 3hjb n ASN 175 Cb 0.53 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.74 3hjb n ASN 175 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3hjb h HIS 176 N -0.15 0.00 -4.01 -2.53 2.07 -1.94 -3.45 115.15 105.14 3hjb h HIS 176 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 3hjb h HIS 176 Cb 0.00 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.04 3hjb h HIS 176 CO 0.00 0.00 0.46 -0.51 -3.07 0.00 0.00 177.93 174.81 3hjb s LEU 177 N -4.75 4.00 -0.26 6.12 1.43 -1.26 -5.00 118.68 118.96 3hjb s LEU 177 Ca 0.04 2.24 -0.09 0.00 -1.03 0.00 0.00 54.13 55.29 3hjb s LEU 177 Cb 0.09 -4.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 3hjb s LEU 177 CO 0.44 -0.87 0.14 -0.89 0.23 0.00 0.00 176.35 175.39 3hjb s THR 178 N -1.60 4.93 -0.11 5.49 2.01 -0.76 -4.99 115.64 120.62 3hjb s THR 178 Ca 0.64 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 3hjb s THR 178 Cb -0.27 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 3hjb s THR 178 CO 0.32 0.30 0.05 0.54 -0.69 0.00 0.00 174.62 175.14 3hjb s VAL 179 N 1.55 4.71 0.04 3.82 0.11 -1.26 -0.96 120.40 128.41 3hjb s VAL 179 Ca 0.07 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 3hjb s VAL 179 Cb -0.15 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 3hjb s VAL 179 CO 0.07 0.59 -0.17 -1.00 -3.33 0.00 0.00 175.10 171.26 3hjb s HIS 180 N -0.79 1.52 -0.19 1.54 3.76 0.70 -4.96 115.29 116.87 3hjb s HIS 180 Ca 0.13 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 3hjb s HIS 180 Cb -0.12 -0.90 0.03 0.00 1.11 0.00 0.00 32.58 32.70 3hjb s HIS 180 CO 0.03 0.07 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.76 3hjb s PHE 181 N -0.84 2.75 -0.13 1.40 0.08 -1.26 -0.52 117.98 119.46 3hjb s PHE 181 Ca 0.04 -1.70 -0.00 0.00 0.12 0.00 0.00 56.93 55.39 3hjb s PHE 181 Cb -0.08 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3hjb s PHE 181 CO 0.02 -0.80 -0.12 0.08 -0.10 0.00 0.00 175.22 174.29 3hjb s VAL 182 N 1.29 3.11 0.00 -0.44 1.01 -0.24 -4.98 120.40 120.16 3hjb s VAL 182 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3hjb s VAL 182 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3hjb s VAL 182 CO -0.11 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 3hjb n SER 183 N 3.47 0.00 -4.77 3.32 3.41 -1.25 -1.92 113.62 115.88 3hjb n SER 183 Ca -0.18 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.04 3hjb n SER 183 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 3hjb n SER 183 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hjb s ASN 184 N -3.50 6.30 0.46 4.04 3.84 -1.26 -4.66 114.94 120.16 3hjb s ASN 184 Ca 0.00 2.55 0.26 0.00 0.21 0.00 0.00 52.86 55.88 3hjb s ASN 184 Cb 0.00 -2.63 0.86 0.00 -0.55 0.00 0.00 41.25 38.93 3hjb s ASN 184 CO 0.00 -0.84 1.79 1.62 -2.79 0.00 0.00 177.10 176.88 3hjb h VAL 185 N 2.34 0.32 -1.62 -5.21 3.04 -1.99 -3.44 116.25 109.69 3hjb h VAL 185 Ca -0.49 -1.03 -0.72 0.00 -1.01 0.00 0.00 66.70 63.44 3hjb h VAL 185 Cb 1.25 1.80 0.02 0.00 -2.01 0.00 0.00 31.29 32.35 3hjb h VAL 185 CO 0.62 0.14 0.85 -0.67 -1.01 0.00 0.00 177.57 177.51 3hjb n ASP 186 N -3.23 2.39 0.16 3.17 2.03 -1.26 -4.78 116.55 115.02 3hjb n ASP 186 Ca 0.01 1.07 0.18 0.00 0.52 0.00 0.00 54.79 56.58 3hjb n ASP 186 Cb 0.44 -1.17 0.79 0.00 -0.72 0.00 0.00 41.12 40.46 3hjb n ASP 186 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3hjb h GLY 187 N 7.00 0.00 0.32 0.27 0.00 -2.02 -1.17 103.07 107.47 3hjb h GLY 187 Ca -0.47 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.02 3hjb h GLY 187 CO 0.93 0.00 0.62 -0.84 0.00 0.00 0.00 176.54 177.25 3hjb h THR 188 N 0.00 0.81 0.19 4.70 2.02 -1.93 -0.46 112.91 118.23 3hjb h THR 188 Ca 0.13 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hjb h THR 188 Cb 0.74 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3hjb h THR 188 CO -0.00 0.15 -0.09 -0.74 0.37 0.00 0.00 175.52 175.21 3hjb h HIS 189 N 0.83 -0.24 -0.37 3.16 2.76 -1.49 -0.94 115.15 118.87 3hjb h HIS 189 Ca 0.53 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.54 3hjb h HIS 189 Cb 0.73 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3hjb h HIS 189 CO -0.00 0.03 -0.36 1.98 -1.30 0.00 0.00 177.93 178.28 3hjb h MET 190 N -0.48 0.89 -0.44 5.26 1.85 -1.71 -2.85 114.93 117.45 3hjb h MET 190 Ca -0.03 -0.47 0.06 0.00 -0.61 0.00 0.00 59.70 58.66 3hjb h MET 190 Cb 0.37 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.36 3hjb h MET 190 CO 0.04 1.11 0.15 0.00 -0.40 0.00 0.00 176.91 177.82 3hjb h ALA 191 N 0.76 0.52 -0.07 0.39 0.00 -0.94 -0.05 119.26 119.88 3hjb h ALA 191 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 191 Cb 0.95 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hjb h ALA 191 CO 0.09 -0.24 -0.35 0.93 0.00 0.00 0.00 179.25 179.67 3hjb h GLU 192 N 0.32 0.14 -0.11 0.00 4.39 -1.19 -2.78 114.58 115.35 3hjb h GLU 192 Ca 0.21 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 3hjb h GLU 192 Cb 0.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hjb h GLU 192 CO -0.22 0.48 -0.35 1.15 -1.16 0.00 0.00 179.01 178.91 3hjb h THR 193 N 0.13 1.38 0.00 1.13 2.02 -1.14 -3.23 112.91 113.20 3hjb h THR 193 Ca 0.01 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 3hjb h THR 193 Cb 0.69 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 69.25 3hjb h THR 193 CO 0.05 0.50 -0.12 -0.07 0.37 0.00 0.00 175.52 176.25 3hjb h LEU 194 N 0.01 0.00 0.00 2.58 3.38 -0.92 -0.82 115.31 119.55 3hjb h LEU 194 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hjb h LEU 194 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hjb h LEU 194 CO 0.08 0.12 0.00 2.29 0.09 0.00 0.00 178.44 181.01 3hjb n LYS 195 N -4.20 0.22 -0.00 1.13 2.85 -1.06 -2.94 118.16 114.16 3hjb n LYS 195 Ca -0.03 0.09 0.08 0.00 -1.05 0.00 0.00 58.31 57.41 3hjb n LYS 195 Cb 0.20 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.15 3hjb n LYS 195 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hjb n ASN 196 N -1.35 2.36 -4.30 -5.58 3.02 -0.32 -5.02 115.26 104.07 3hjb n ASN 196 Ca 0.09 -1.68 -0.16 0.00 -0.03 0.00 0.00 54.58 52.80 3hjb n ASN 196 Cb 0.20 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.27 3hjb n ASN 196 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3hjb s VAL 197 N -1.36 1.19 -0.01 2.41 -7.23 -1.15 -5.13 120.40 109.13 3hjb s VAL 197 Ca 0.19 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 3hjb s VAL 197 Cb 0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3hjb s VAL 197 CO 0.20 -0.52 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.48 3hjb s ASP 198 N -3.26 3.73 0.42 4.85 1.01 -1.26 -4.94 116.67 117.22 3hjb s ASP 198 Ca 0.23 -0.35 0.08 0.00 0.71 0.00 0.00 52.55 53.22 3hjb s ASP 198 Cb 0.04 -0.64 0.89 0.00 1.01 0.00 0.00 42.92 44.22 3hjb s ASP 198 CO 0.05 0.30 2.07 -0.65 0.21 0.00 0.00 175.17 177.15 3hjb h PRO 199 N 5.04 0.50 0.00 8.23 0.11 -1.95 -2.69 132.00 141.24 3hjb h PRO 199 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3hjb h PRO 199 Cb 1.15 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hjb h PRO 199 CO 0.48 0.33 -0.09 0.93 -0.21 0.00 0.00 178.00 179.45 3hjb h GLU 200 N 0.51 0.00 0.00 1.05 3.07 -1.97 -3.28 114.58 113.97 3hjb h GLU 200 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3hjb h GLU 200 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3hjb h GLU 200 CO -0.03 0.09 -0.17 0.25 -1.40 0.00 0.00 179.01 177.75 3hjb n THR 201 N -3.32 1.04 -5.06 1.13 -2.24 -1.04 -4.37 114.28 100.43 3hjb n THR 201 Ca -0.01 -1.23 -0.32 0.00 -2.27 0.00 0.00 64.05 60.22 3hjb n THR 201 Cb 0.28 0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.52 3hjb n THR 201 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hjb s THR 202 N -1.54 2.52 -0.19 4.28 2.01 -1.07 -0.91 115.64 120.74 3hjb s THR 202 Ca 0.16 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 3hjb s THR 202 Cb 0.14 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3hjb s THR 202 CO 0.02 0.56 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.24 3hjb s LEU 203 N -0.11 2.98 -0.14 4.42 2.96 -0.25 -4.74 118.68 123.80 3hjb s LEU 203 Ca -0.04 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 3hjb s LEU 203 Cb -0.14 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3hjb s LEU 203 CO 0.04 0.07 0.14 -0.36 -1.32 0.00 0.00 176.35 174.92 3hjb s PHE 204 N 0.97 3.55 -0.21 5.38 0.08 0.70 -0.66 117.98 127.78 3hjb s PHE 204 Ca -0.00 0.48 -0.04 0.00 0.12 0.00 0.00 56.93 57.49 3hjb s PHE 204 Cb -0.15 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3hjb s PHE 204 CO 0.01 0.61 -0.03 -0.51 -0.10 0.00 0.00 175.22 175.19 3hjb s LEU 205 N -0.63 3.01 -0.43 -0.37 1.43 0.14 -1.05 118.68 120.78 3hjb s LEU 205 Ca 0.13 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3hjb s LEU 205 Cb -0.12 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.39 3hjb s LEU 205 CO 0.02 0.01 0.33 -0.69 0.23 0.00 0.00 176.35 176.26 3hjb s VAL 206 N 1.28 5.10 -0.50 -1.59 1.01 0.07 -0.34 120.40 125.44 3hjb s VAL 206 Ca 0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 3hjb s VAL 206 Cb -0.14 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.40 3hjb s VAL 206 CO -0.01 -0.43 0.42 0.00 0.00 0.00 0.00 175.10 175.08 3hjb s ALA 207 N 1.63 3.53 -0.30 5.51 0.00 0.07 -1.00 121.76 131.20 3hjb s ALA 207 Ca 0.04 -2.42 -0.10 0.00 0.00 0.00 0.00 51.96 49.49 3hjb s ALA 207 Cb -0.22 -3.05 0.17 0.00 0.00 0.00 0.00 23.12 20.02 3hjb s ALA 207 CO 0.08 -1.90 0.82 0.45 0.00 0.00 0.00 175.76 175.21 3hjb s SER 208 N 3.02 -0.91 0.15 0.00 0.15 -0.17 -4.52 113.70 111.41 3hjb s SER 208 Ca 0.04 0.90 -0.18 0.00 0.70 0.00 0.00 55.95 57.41 3hjb s SER 208 Cb -0.27 1.90 0.04 0.00 -1.71 0.00 0.00 66.02 65.98 3hjb s SER 208 CO 0.03 -0.17 1.70 0.50 1.20 0.00 0.00 173.24 176.49 3hjb h LYS 209 N 7.85 0.05 0.00 5.44 3.11 -1.94 -2.34 116.57 128.74 3hjb h LYS 209 Ca -0.18 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.61 3hjb h LYS 209 Cb 1.14 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 3hjb h LYS 209 CO 0.10 0.03 -0.29 1.79 -2.81 0.00 0.00 179.45 178.27 3hjb h THR 210 N 0.05 0.43 -2.20 1.00 1.35 -1.97 -2.39 112.91 109.17 3hjb h THR 210 Ca 0.15 -1.61 -0.39 0.00 -0.55 0.00 0.00 66.41 64.01 3hjb h THR 210 Cb 0.21 2.20 -0.06 0.00 -1.73 0.00 0.00 68.15 68.77 3hjb h THR 210 CO -0.28 0.24 -0.45 0.33 -0.25 0.00 0.00 175.52 175.11 3hjb n PHE 211 N -3.15 -0.64 -0.60 4.73 7.35 -0.88 -4.68 117.46 119.59 3hjb n PHE 211 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3hjb n PHE 211 Cb 0.64 -3.60 0.00 0.00 0.35 0.00 0.00 39.48 36.87 3hjb n PHE 211 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3hjb n THR 212 N -3.55 0.16 -1.61 -2.13 -2.24 -1.26 -4.96 114.28 98.68 3hjb n THR 212 Ca -0.22 -0.28 -0.49 0.00 -2.27 0.00 0.00 64.05 60.79 3hjb n THR 212 Cb 0.66 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 70.12 3hjb n THR 212 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hjb n THR 213 N -0.08 0.43 -0.13 4.28 -1.04 -1.26 -4.86 114.28 111.62 3hjb n THR 213 Ca 0.00 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 3hjb n THR 213 Cb 0.25 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.87 3hjb n THR 213 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3hjb h GLN 214 N 10.67 -0.27 -0.32 -2.82 4.20 -1.98 0.81 115.11 125.40 3hjb h GLN 214 Ca -0.42 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.21 3hjb h GLN 214 Cb 1.28 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 3hjb h GLN 214 CO 0.97 -0.18 -0.18 0.93 -0.67 0.00 0.00 178.83 179.70 3hjb h GLU 215 N -0.28 0.69 -0.66 1.46 5.08 -1.95 -0.68 114.58 118.23 3hjb h GLU 215 Ca 0.16 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3hjb h GLU 215 Cb 0.57 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3hjb h GLU 215 CO -0.58 0.91 0.35 1.15 -1.00 0.00 0.00 179.01 179.84 3hjb h THR 216 N 0.45 1.21 -0.02 1.13 2.02 -1.83 -0.83 112.91 115.04 3hjb h THR 216 Ca 0.07 -0.54 -0.13 0.00 0.77 0.00 0.00 66.41 66.57 3hjb h THR 216 Cb 0.72 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3hjb h THR 216 CO 0.05 0.23 -0.60 0.24 0.37 0.00 0.00 175.52 175.81 3hjb h MET 217 N 0.90 0.08 0.07 6.66 2.86 -0.73 0.19 114.93 124.97 3hjb h MET 217 Ca 0.23 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3hjb h MET 217 Cb 0.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3hjb h MET 217 CO -0.04 0.66 -0.04 1.15 1.06 0.00 0.00 176.91 179.71 3hjb h THR 218 N 0.06 1.01 -0.57 2.22 2.02 -0.88 0.03 112.91 116.81 3hjb h THR 218 Ca -0.01 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3hjb h THR 218 Cb 1.08 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 3hjb h THR 218 CO 0.08 0.07 0.34 0.78 0.37 0.00 0.00 175.52 177.16 3hjb h ASN 219 N -0.23 0.53 -0.72 4.18 2.35 -0.96 -1.73 115.58 119.00 3hjb h ASN 219 Ca -0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hjb h ASN 219 Cb 0.20 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3hjb h ASN 219 CO 0.02 0.37 0.41 0.00 -1.65 0.00 0.00 177.43 176.58 3hjb h ALA 220 N 1.26 0.93 -0.27 -0.83 0.00 -0.39 -0.94 119.26 119.01 3hjb h ALA 220 Ca 0.23 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 220 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hjb h ALA 220 CO -0.11 0.42 -0.26 0.45 0.00 0.00 0.00 179.25 179.75 3hjb h HIS 221 N 0.99 0.61 -0.48 0.00 3.86 -0.82 0.36 115.15 119.67 3hjb h HIS 221 Ca 0.26 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3hjb h HIS 221 Cb 0.01 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3hjb h HIS 221 CO -0.01 0.75 0.21 1.15 0.86 0.00 0.00 177.93 180.90 3hjb h THR 222 N 0.47 1.20 -0.71 2.45 2.02 -0.87 -0.77 112.91 116.71 3hjb h THR 222 Ca 0.07 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3hjb h THR 222 Cb 0.70 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3hjb h THR 222 CO 0.05 0.23 0.27 0.00 0.37 0.00 0.00 175.52 176.44 3hjb h ALA 223 N 1.05 0.92 -0.58 6.16 0.00 -0.83 -1.92 119.26 124.06 3hjb h ALA 223 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hjb h ALA 223 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hjb h ALA 223 CO -0.02 0.56 0.13 -0.09 0.00 0.00 0.00 179.25 179.83 3hjb h ARG 224 N 1.02 0.94 -0.37 0.00 2.43 -0.70 0.19 114.38 117.88 3hjb h ARG 224 Ca 0.23 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hjb h ARG 224 Cb 0.23 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3hjb h ARG 224 CO -0.02 0.87 0.24 -0.44 -1.51 0.00 0.00 179.97 179.12 3hjb h ASP 225 N 0.85 0.43 -0.45 -3.80 3.32 -0.95 -0.18 116.42 115.63 3hjb h ASP 225 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3hjb h ASP 225 Cb 0.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3hjb h ASP 225 CO 0.00 0.31 0.25 -0.25 -1.72 0.00 0.00 179.24 177.84 3hjb h TRP 226 N 0.50 0.61 -0.43 4.55 7.01 -1.10 -1.55 115.95 125.55 3hjb h TRP 226 Ca 0.13 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 3hjb h TRP 226 Cb -0.05 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3hjb h TRP 226 CO -0.05 0.46 0.25 0.35 -2.79 0.00 0.00 178.44 176.66 3hjb h PHE 227 N 0.59 0.57 0.00 2.65 3.57 -0.67 -2.77 116.94 120.88 3hjb h PHE 227 Ca 0.16 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3hjb h PHE 227 Cb 0.04 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3hjb h PHE 227 CO -0.02 0.41 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.24 3hjb h LEU 228 N 0.56 0.00 -1.33 0.59 3.38 -0.75 -0.26 115.31 117.50 3hjb h LEU 228 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hjb h LEU 228 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hjb h LEU 228 CO -0.03 0.16 0.35 0.50 0.09 0.00 0.00 178.44 179.51 3hjb h LYS 229 N 0.00 0.81 0.14 1.13 3.64 -0.99 0.21 116.57 121.50 3hjb h LYS 229 Ca -0.00 -0.07 -0.33 0.00 -1.27 0.00 0.00 60.65 58.97 3hjb h LYS 229 Cb 0.62 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3hjb h LYS 229 CO 0.02 0.57 -1.73 0.00 -2.27 0.00 0.00 179.45 176.04 3hjb h ALA 230 N 1.57 0.31 0.00 5.00 0.00 -1.34 -3.41 119.26 121.38 3hjb h ALA 230 Ca 0.21 -1.22 -0.28 0.00 0.00 0.00 0.00 54.91 53.63 3hjb h ALA 230 Cb -0.02 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3hjb h ALA 230 CO -0.04 1.18 -2.05 0.00 0.00 0.00 0.00 179.25 178.34 3hjb n ALA 231 N -2.80 1.72 0.00 0.00 0.00 -0.19 -5.01 120.51 114.23 3hjb n ALA 231 Ca -0.23 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.22 3hjb n ALA 231 Cb 1.06 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3hjb n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjb n GLY 232 N 1.59 1.40 3.65 0.00 0.00 0.71 -4.88 105.19 107.67 3hjb n GLY 232 Ca -0.22 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3hjb n GLY 232 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hjb s ASP 233 N 0.00 6.80 0.43 1.61 -1.08 -1.26 -4.94 116.67 118.24 3hjb s ASP 233 Ca 0.00 1.00 0.30 0.00 -0.52 0.00 0.00 52.55 53.32 3hjb s ASP 233 Cb 0.00 -2.42 1.54 0.00 -1.46 0.00 0.00 42.92 40.58 3hjb s ASP 233 CO 0.00 -0.47 1.90 1.05 0.52 0.00 0.00 175.17 178.18 3hjb h GLU 234 N 7.65 0.00 -0.34 4.34 9.09 -1.97 -1.34 114.58 132.01 3hjb h GLU 234 Ca -0.25 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.23 3hjb h GLU 234 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.19 3hjb h GLU 234 CO 0.85 0.00 0.24 0.00 0.05 0.00 0.00 179.01 180.14 3hjb h ALA 235 N 2.03 2.15 0.00 1.06 0.00 -1.93 -1.48 119.26 121.09 3hjb h ALA 235 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hjb h ALA 235 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 235 CO 0.00 -0.23 0.00 0.45 0.00 0.00 0.00 179.25 179.47 3hjb h HIS 236 N 0.13 0.00 -0.64 0.00 3.86 -1.62 -3.02 115.15 113.86 3hjb h HIS 236 Ca 0.16 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.47 3hjb h HIS 236 Cb 0.45 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 3hjb h HIS 236 CO -0.00 0.00 0.43 0.28 0.86 0.00 0.00 177.93 179.50 3hjb h VAL 237 N 0.00 0.88 0.00 2.45 2.07 -1.44 -1.96 116.25 118.25 3hjb h VAL 237 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3hjb h VAL 237 Cb 0.48 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3hjb h VAL 237 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 3hjb h ALA 238 N 1.68 1.00 -0.01 1.67 0.00 -1.39 -1.00 119.26 121.22 3hjb h ALA 238 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hjb h ALA 238 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hjb h ALA 238 CO -0.09 0.00 -0.45 1.63 0.00 0.00 0.00 179.25 180.35 3hjb n LYS 239 N -2.99 0.61 0.00 0.00 5.02 -0.74 -4.48 118.16 115.58 3hjb n LYS 239 Ca -0.02 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 3hjb n LYS 239 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hjb n LYS 239 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hjb n HIS 240 N -0.83 0.00 -3.92 2.13 8.25 -0.48 -4.72 115.22 115.64 3hjb n HIS 240 Ca 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.40 3hjb n HIS 240 Cb 0.37 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.32 3hjb n HIS 240 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hjb s PHE 241 N -0.12 0.22 0.20 4.41 0.08 -0.59 -0.21 117.98 121.97 3hjb s PHE 241 Ca 0.00 0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.13 3hjb s PHE 241 Cb 0.00 -0.28 -0.05 0.00 -0.57 0.00 0.00 43.02 42.12 3hjb s PHE 241 CO 0.00 -0.08 -0.13 0.00 -0.10 0.00 0.00 175.22 174.91 3hjb s ALA 242 N 0.66 1.97 -0.02 5.36 0.00 -0.21 -4.65 121.76 124.87 3hjb s ALA 242 Ca -0.06 -1.66 0.06 0.00 0.00 0.00 0.00 51.96 50.30 3hjb s ALA 242 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3hjb s ALA 242 CO -0.01 0.03 -0.20 0.00 0.00 0.00 0.00 175.76 175.58 3hjb s ALA 243 N -3.02 1.69 -0.55 0.00 0.00 -0.47 -0.75 121.76 118.66 3hjb s ALA 243 Ca 0.22 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3hjb s ALA 243 Cb 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 23.12 22.80 3hjb s ALA 243 CO 0.06 0.39 0.36 -0.51 0.00 0.00 0.00 175.76 176.07 3hjb s LEU 244 N -0.36 5.34 0.07 0.00 1.43 -0.17 -0.78 118.68 124.21 3hjb s LEU 244 Ca 0.05 -2.49 -0.27 0.00 -1.03 0.00 0.00 54.13 50.39 3hjb s LEU 244 Cb -0.09 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.35 3hjb s LEU 244 CO 0.00 -0.47 1.13 -0.55 0.23 0.00 0.00 176.35 176.70 3hjb s SER 245 N 1.31 -0.11 0.00 2.29 0.15 -0.87 -1.00 113.70 115.47 3hjb s SER 245 Ca 0.13 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.49 3hjb s SER 245 Cb -0.21 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 3hjb s SER 245 CO -0.04 -0.60 0.44 0.35 1.20 0.00 0.00 173.24 174.60 3hjb n THR 246 N -0.50 0.02 -2.91 6.45 -2.24 -0.90 -3.81 114.28 110.39 3hjb n THR 246 Ca -0.07 -0.44 -0.44 0.00 -2.27 0.00 0.00 64.05 60.83 3hjb n THR 246 Cb 0.62 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.96 3hjb n THR 246 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hjb s ASN 247 N -0.02 6.99 0.32 3.42 3.84 -1.22 -4.85 114.94 123.42 3hjb s ASN 247 Ca 0.00 -2.81 0.00 0.00 0.21 0.00 0.00 52.86 50.26 3hjb s ASN 247 Cb 0.00 -2.42 0.53 0.00 -0.55 0.00 0.00 41.25 38.81 3hjb s ASN 247 CO 0.00 -0.83 1.97 1.23 -2.79 0.00 0.00 177.10 176.68 3hjb h GLY 248 N 10.09 0.99 0.87 1.21 0.00 -1.95 -0.74 103.07 113.54 3hjb h GLY 248 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hjb h GLY 248 CO 1.25 0.39 -0.05 1.70 0.00 0.00 0.00 176.54 179.82 3hjb h LYS 249 N 0.95 -0.15 -0.68 4.80 3.64 -1.99 -0.52 116.57 122.61 3hjb h LYS 249 Ca 0.25 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3hjb h LYS 249 Cb -0.05 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3hjb h LYS 249 CO -0.05 0.02 0.27 0.00 -2.27 0.00 0.00 179.45 177.41 3hjb h ALA 250 N 0.59 1.18 -0.32 5.00 0.00 -1.88 -0.91 119.26 122.92 3hjb h ALA 250 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hjb h ALA 250 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hjb h ALA 250 CO 0.03 0.59 0.08 0.28 0.00 0.00 0.00 179.25 180.23 3hjb h VAL 251 N 0.99 1.22 -0.70 0.00 2.07 -1.03 -1.40 116.25 117.39 3hjb h VAL 251 Ca 0.23 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3hjb h VAL 251 Cb 0.20 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3hjb h VAL 251 CO -0.02 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.05 3hjb h ALA 252 N 0.92 0.91 -0.56 1.67 0.00 -0.91 -2.29 119.26 119.01 3hjb h ALA 252 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hjb h ALA 252 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hjb h ALA 252 CO -0.00 0.57 0.30 1.49 0.00 0.00 0.00 179.25 181.61 3hjb h GLU 253 N 1.02 0.76 0.00 0.00 4.57 -0.94 -1.10 114.58 118.89 3hjb h GLU 253 Ca 0.23 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 3hjb h GLU 253 Cb 0.27 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3hjb h GLU 253 CO -0.01 0.57 -0.23 0.35 -1.18 0.00 0.00 179.01 178.50 3hjb h PHE 254 N 0.77 0.00 0.00 0.92 3.57 -0.88 -3.46 116.94 117.86 3hjb h PHE 254 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hjb h PHE 254 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3hjb h PHE 254 CO 0.00 0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.73 3hjb n GLY 255 N -0.50 1.21 3.76 2.40 0.00 -0.41 -5.02 105.19 106.63 3hjb n GLY 255 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3hjb n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjb s ILE 256 N -2.00 4.74 0.03 -0.61 1.01 -0.90 -2.85 121.20 120.62 3hjb s ILE 256 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.83 3hjb s ILE 256 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3hjb s ILE 256 CO 0.00 0.42 1.30 -0.62 0.00 0.00 0.00 174.94 176.04 3hjb s ASP 257 N -0.35 6.96 0.05 3.58 3.68 -1.26 -4.00 116.67 125.33 3hjb s ASP 257 Ca 0.35 2.06 0.11 0.00 2.13 0.00 0.00 52.55 57.20 3hjb s ASP 257 Cb -0.20 -2.57 0.47 0.00 -1.45 0.00 0.00 42.92 39.17 3hjb s ASP 257 CO 0.21 -0.60 1.33 0.35 0.13 0.00 0.00 175.17 176.60 3hjb n THR 258 N 4.28 1.35 0.29 1.71 -2.24 -1.26 -0.18 114.28 118.23 3hjb n THR 258 Ca 0.11 0.37 0.17 0.00 -2.27 0.00 0.00 64.05 62.43 3hjb n THR 258 Cb 0.45 -1.25 0.84 0.00 -2.10 0.00 0.00 70.33 68.27 3hjb n THR 258 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hjb h ASP 259 N 0.00 0.00 -0.61 3.42 3.32 -2.02 -2.22 116.42 118.31 3hjb h ASP 259 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3hjb h ASP 259 Cb 0.15 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.51 3hjb h ASP 259 CO 0.00 0.06 0.21 0.59 -1.72 0.00 0.00 179.24 178.38 3hjb n ASN 260 N -3.35 2.97 -4.47 6.45 5.03 0.75 -4.85 115.26 117.79 3hjb n ASN 260 Ca -0.01 -3.73 -0.36 0.00 0.87 0.00 0.00 54.58 51.35 3hjb n ASN 260 Cb 0.21 -0.72 -0.12 0.00 -1.02 0.00 0.00 39.78 38.13 3hjb n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hjb s MET 261 N -3.28 3.69 -0.30 3.52 1.75 -0.84 -1.36 119.30 122.48 3hjb s MET 261 Ca 0.50 -0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 54.41 3hjb s MET 261 Cb 0.44 -3.28 0.02 0.00 2.84 0.00 0.00 34.83 34.84 3hjb s MET 261 CO 0.04 -0.11 0.08 -0.06 -0.65 0.00 0.00 175.02 174.32 3hjb s PHE 262 N 1.40 3.17 0.44 4.11 0.08 0.04 -4.97 117.98 122.24 3hjb s PHE 262 Ca 0.05 -1.13 -0.03 0.00 0.12 0.00 0.00 56.93 55.94 3hjb s PHE 262 Cb -0.15 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 3hjb s PHE 262 CO 0.03 -0.63 0.70 -1.83 -0.10 0.00 0.00 175.22 173.40 3hjb s GLU 263 N 1.46 3.46 0.22 0.44 -1.05 -1.25 -2.04 118.70 119.94 3hjb s GLU 263 Ca 0.01 -0.04 0.03 0.00 -0.15 0.00 0.00 54.97 54.82 3hjb s GLU 263 Cb -0.18 -2.48 -0.01 0.00 -0.44 0.00 0.00 34.13 31.02 3hjb s GLU 263 CO 0.02 -0.12 0.24 1.97 0.95 0.00 0.00 175.26 178.32 3hjb n PHE 264 N -2.11 -0.74 -4.32 4.83 1.16 -1.26 -4.43 117.46 110.59 3hjb n PHE 264 Ca -0.01 -1.74 -0.17 0.00 -1.87 0.00 0.00 57.45 53.66 3hjb n PHE 264 Cb 0.56 0.26 -0.10 0.00 -1.61 0.00 0.00 39.48 38.58 3hjb n PHE 264 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3hjb s TRP 265 N -3.16 1.54 0.56 2.97 0.51 -1.26 -4.85 118.94 115.26 3hjb s TRP 265 Ca 0.24 -0.79 0.26 0.00 -2.12 0.00 0.00 56.10 53.69 3hjb s TRP 265 Cb 0.01 -0.83 1.55 0.00 -0.81 0.00 0.00 33.47 33.39 3hjb s TRP 265 CO 0.17 0.10 2.11 -0.44 -0.51 0.00 0.00 176.95 178.38 3hjb h ASP 266 N 2.56 0.00 -0.10 2.95 3.32 -2.03 -0.94 116.42 122.18 3hjb h ASP 266 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3hjb h ASP 266 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hjb h ASP 266 CO 0.64 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.49 3hjb n TRP 267 N -4.06 0.13 -3.51 4.55 4.27 -1.26 -4.56 117.44 113.00 3hjb n TRP 267 Ca 0.02 -0.06 -0.42 0.00 -3.89 0.00 0.00 57.50 53.14 3hjb n TRP 267 Cb 0.30 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.17 3hjb n TRP 267 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3hjb s VAL 268 N -1.87 4.58 0.43 -1.67 1.01 -0.36 -1.31 120.40 121.20 3hjb s VAL 268 Ca 0.20 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.53 3hjb s VAL 268 Cb 0.10 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 3hjb s VAL 268 CO 0.16 -0.62 1.18 -0.83 0.00 0.00 0.00 175.10 174.99 3hjb s GLY 269 N 2.51 2.83 0.24 4.51 0.00 -1.26 -4.86 107.32 111.29 3hjb s GLY 269 Ca 0.04 0.98 -0.06 0.00 0.00 0.00 0.00 44.72 45.68 3hjb s GLY 269 CO 0.03 1.48 1.70 -1.33 0.00 0.00 0.00 173.10 174.98 3hjb h GLY 270 N 2.35 1.00 0.72 0.20 0.00 -1.95 0.01 103.07 105.39 3hjb h GLY 270 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3hjb h GLY 270 CO 0.61 -0.15 0.00 -0.96 0.00 0.00 0.00 176.54 176.04 3hjb n ARG 271 N -5.10 0.87 -0.72 4.80 1.85 -1.26 -2.10 116.66 115.00 3hjb n ARG 271 Ca 0.13 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.03 3hjb n ARG 271 Cb 0.42 -1.36 0.11 0.00 -1.05 0.00 0.00 32.46 30.58 3hjb n ARG 271 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hjb n TYR 272 N -0.86 0.00 0.89 2.89 4.01 -0.07 -4.72 117.16 119.30 3hjb n TYR 272 Ca 0.15 -0.90 0.10 0.00 -0.16 0.00 0.00 57.90 57.09 3hjb n TYR 272 Cb 0.07 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 3hjb n TYR 272 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hjb n SER 273 N -0.58 2.04 0.32 7.72 3.41 -0.85 -4.45 113.62 121.23 3hjb n SER 273 Ca 0.12 -1.52 0.21 0.00 -0.26 0.00 0.00 58.87 57.42 3hjb n SER 273 Cb 0.81 0.39 1.07 0.00 -0.26 0.00 0.00 64.21 66.22 3hjb n SER 273 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 3hjb h LEU 274 N 2.54 0.00 -0.03 1.04 8.10 -1.83 -1.14 115.31 123.99 3hjb h LEU 274 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3hjb h LEU 274 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 3hjb h LEU 274 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 3hjb n TRP 275 N -3.12 0.26 -2.22 0.17 7.02 -1.26 -2.96 117.44 115.33 3hjb n TRP 275 Ca -0.02 0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3hjb n TRP 275 Cb 0.13 -0.63 0.00 0.00 -2.42 0.00 0.00 31.31 28.39 3hjb n TRP 275 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hjb n SER 276 N -1.72 0.04 -0.20 -0.99 3.41 -0.43 -4.76 113.62 108.96 3hjb n SER 276 Ca 0.06 -0.20 0.30 0.00 -0.26 0.00 0.00 58.87 58.78 3hjb n SER 276 Cb 0.34 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.02 3hjb n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjb h ALA 277 N -0.67 2.88 -0.12 7.33 0.00 -1.81 0.20 119.26 127.07 3hjb h ALA 277 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hjb h ALA 277 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 277 CO 0.00 -1.20 0.16 0.82 0.00 0.00 0.00 179.25 179.02 3hjb h ILE 278 N 0.00 0.41 0.00 0.00 1.08 -1.86 -0.63 117.51 116.51 3hjb h ILE 278 Ca 0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.92 3hjb h ILE 278 Cb 1.87 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 3hjb h ILE 278 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 3hjb n GLY 279 N -1.35 -1.00 0.37 5.37 0.00 0.69 -4.20 105.19 105.07 3hjb n GLY 279 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3hjb n GLY 279 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hjb h LEU 280 N 0.00 0.81 -1.49 0.99 5.85 -1.28 0.41 115.31 120.59 3hjb h LEU 280 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3hjb h LEU 280 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hjb h LEU 280 CO 0.00 0.47 -0.03 0.77 -0.34 0.00 0.00 178.44 179.31 3hjb h SER 281 N 0.89 0.27 -0.12 1.25 4.64 -1.85 0.86 113.55 119.49 3hjb h SER 281 Ca 0.42 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3hjb h SER 281 Cb 0.44 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3hjb h SER 281 CO -0.19 0.34 0.02 0.40 -0.87 0.00 0.00 176.83 176.54 3hjb h ILE 282 N 0.28 1.22 -0.60 0.95 2.04 -1.25 -1.46 117.51 118.70 3hjb h ILE 282 Ca 0.06 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3hjb h ILE 282 Cb 0.24 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3hjb h ILE 282 CO 0.01 0.20 0.34 0.40 0.00 0.00 0.00 178.15 179.10 3hjb h ILE 283 N -0.03 1.02 -0.10 -0.67 2.04 -0.81 -0.89 117.51 118.07 3hjb h ILE 283 Ca 0.04 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3hjb h ILE 283 Cb 0.29 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3hjb h ILE 283 CO 0.00 0.12 -0.29 -0.07 0.00 0.00 0.00 178.15 177.91 3hjb h LEU 284 N 0.66 0.18 0.15 1.44 3.38 -0.78 0.21 115.31 120.55 3hjb h LEU 284 Ca 0.25 -0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 3hjb h LEU 284 Cb 0.09 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.82 3hjb h LEU 284 CO -0.14 0.47 -1.16 -1.28 0.09 0.00 0.00 178.44 176.43 3hjb h SER 285 N 0.16 0.76 -0.00 -0.43 0.87 -0.50 -3.40 113.55 111.00 3hjb h SER 285 Ca 0.02 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 3hjb h SER 285 Cb 0.60 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3hjb h SER 285 CO 0.04 1.56 -0.06 2.30 -0.53 0.00 0.00 176.83 180.14 3hjb n ILE 286 N -3.89 0.00 0.00 2.23 -5.35 -0.41 -1.01 119.36 110.94 3hjb n ILE 286 Ca -0.14 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 3hjb n ILE 286 Cb 0.95 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 3hjb n ILE 286 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hjb n GLY 287 N 0.55 -0.83 0.25 3.28 0.00 0.72 -4.29 105.19 104.87 3hjb n GLY 287 Ca 0.02 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 3hjb n GLY 287 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hjb h TYR 288 N 0.00 0.54 -0.30 1.61 3.20 -1.92 -1.64 116.97 118.47 3hjb h TYR 288 Ca 0.00 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 61.83 3hjb h TYR 288 Cb 0.00 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3hjb h TYR 288 CO 0.00 0.63 0.03 -0.44 -1.64 0.00 0.00 178.16 176.74 3hjb h ASP 289 N 0.45 -0.05 -0.25 -2.11 3.32 -1.95 0.52 116.42 116.35 3hjb h ASP 289 Ca 0.08 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3hjb h ASP 289 Cb 0.54 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3hjb h ASP 289 CO 0.03 0.01 -0.29 0.78 -1.72 0.00 0.00 179.24 178.05 3hjb h ASN 290 N 0.13 0.78 -0.72 6.45 2.35 -1.69 -2.13 115.58 120.75 3hjb h ASN 290 Ca 0.14 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3hjb h ASN 290 Cb 0.17 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3hjb h ASN 290 CO -0.21 1.02 0.44 0.15 -1.65 0.00 0.00 177.43 177.18 3hjb h PHE 291 N 0.64 0.93 -0.70 1.19 3.57 -0.81 -1.75 116.94 120.02 3hjb h PHE 291 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hjb h PHE 291 Cb 0.81 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3hjb h PHE 291 CO 0.04 0.62 0.35 0.28 -2.23 0.00 0.00 178.31 177.37 3hjb h VAL 292 N 0.98 1.22 -0.86 1.41 2.07 -0.71 -0.58 116.25 119.78 3hjb h VAL 292 Ca 0.26 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3hjb h VAL 292 Cb -0.05 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3hjb h VAL 292 CO -0.05 0.25 0.55 -0.33 0.02 0.00 0.00 177.57 178.01 3hjb h GLU 293 N 0.98 1.04 -0.07 1.57 4.39 -0.83 0.24 114.58 121.90 3hjb h GLU 293 Ca 0.24 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 3hjb h GLU 293 Cb 0.07 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3hjb h GLU 293 CO -0.03 0.69 0.04 1.25 -1.16 0.00 0.00 179.01 179.80 3hjb h LEU 294 N 1.08 0.09 -0.75 1.33 5.85 -0.59 -0.51 115.31 121.81 3hjb h LEU 294 Ca 0.34 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3hjb h LEU 294 Cb -0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3hjb h LEU 294 CO -0.11 0.13 0.49 -0.07 -0.34 0.00 0.00 178.44 178.54 3hjb h LEU 295 N 0.03 0.82 -0.80 2.25 3.38 -0.70 -2.18 115.31 118.12 3hjb h LEU 295 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3hjb h LEU 295 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hjb h LEU 295 CO -0.00 0.58 0.09 0.00 0.09 0.00 0.00 178.44 179.20 3hjb h ALA 296 N 1.30 1.01 -0.55 1.53 0.00 -0.20 0.22 119.26 122.57 3hjb h ALA 296 Ca 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hjb h ALA 296 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hjb h ALA 296 CO -0.09 0.63 0.19 0.78 0.00 0.00 0.00 179.25 180.76 3hjb h GLY 297 N 1.03 0.91 1.00 0.00 0.00 -0.78 -0.73 103.07 104.50 3hjb h GLY 297 Ca 0.19 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3hjb h GLY 297 CO 0.01 0.49 0.37 0.00 0.00 0.00 0.00 176.54 177.41 3hjb h ALA 298 N 1.05 0.85 -0.82 3.60 0.00 -0.94 -2.54 119.26 120.47 3hjb h ALA 298 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hjb h ALA 298 Cb 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3hjb h ALA 298 CO -0.01 0.36 0.54 1.25 0.00 0.00 0.00 179.25 181.38 3hjb h HIS 299 N 0.90 1.02 -0.80 0.00 6.17 -0.60 0.85 115.15 122.70 3hjb h HIS 299 Ca 0.23 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.35 3hjb h HIS 299 Cb 0.03 -0.34 -0.04 0.00 2.52 0.00 0.00 27.41 29.58 3hjb h HIS 299 CO -0.01 0.63 0.53 0.93 0.71 0.00 0.00 177.93 180.71 3hjb h GLU 300 N 1.08 1.04 -0.26 5.26 5.08 -0.97 -0.26 114.58 125.56 3hjb h GLU 300 Ca 0.31 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 3hjb h GLU 300 Cb -0.09 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 3hjb h GLU 300 CO -0.08 0.69 -0.43 1.98 -1.00 0.00 0.00 179.01 180.17 3hjb h MET 301 N 1.08 0.64 -0.58 2.33 4.05 -0.98 -1.73 114.93 119.74 3hjb h MET 301 Ca 0.29 -0.35 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3hjb h MET 301 Cb -0.12 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.66 3hjb h MET 301 CO -0.07 0.95 0.36 -0.44 0.23 0.00 0.00 176.91 177.94 3hjb h ASP 302 N 0.52 0.59 -0.67 1.39 3.32 -0.30 -0.08 116.42 121.19 3hjb h ASP 302 Ca 0.04 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3hjb h ASP 302 Cb 0.96 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 3hjb h ASP 302 CO 0.09 0.42 0.33 1.56 -1.72 0.00 0.00 179.24 179.91 3hjb h GLN 303 N 0.71 0.96 -0.41 3.56 4.20 -0.84 -1.82 115.11 121.48 3hjb h GLN 303 Ca 0.23 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hjb h GLN 303 Cb -0.01 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3hjb h GLN 303 CO -0.09 0.76 0.25 1.25 -0.67 0.00 0.00 178.83 180.33 3hjb h HIS 304 N 0.93 0.53 -0.68 2.96 2.76 -0.91 -1.36 115.15 119.38 3hjb h HIS 304 Ca 0.23 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3hjb h HIS 304 Cb 0.11 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 3hjb h HIS 304 CO 0.00 0.37 0.29 0.35 -1.30 0.00 0.00 177.93 177.64 3hjb h PHE 305 N 0.54 1.01 0.00 5.26 3.57 -0.64 -1.72 116.94 124.97 3hjb h PHE 305 Ca 0.15 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 3hjb h PHE 305 Cb -0.01 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 3hjb h PHE 305 CO -0.04 0.78 -0.76 -0.39 -2.23 0.00 0.00 178.31 175.67 3hjb h VAL 306 N 0.96 1.10 -0.00 1.41 -1.51 -1.28 -3.37 116.25 113.55 3hjb h VAL 306 Ca 0.23 -2.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 3hjb h VAL 306 Cb 0.18 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3hjb h VAL 306 CO -0.02 0.63 -0.84 0.59 -1.23 0.00 0.00 177.57 176.70 3hjb n ASN 307 N -3.23 1.28 -4.77 4.19 3.02 -0.52 -4.98 115.26 110.24 3hjb n ASN 307 Ca -0.00 -1.14 -0.36 0.00 -0.03 0.00 0.00 54.58 53.05 3hjb n ASN 307 Cb 0.82 0.85 -0.07 0.00 -0.61 0.00 0.00 39.78 40.77 3hjb n ASN 307 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hjb s THR 308 N -2.82 5.41 0.55 3.41 2.01 -0.66 -5.06 115.64 118.49 3hjb s THR 308 Ca 0.11 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 3hjb s THR 308 Cb 0.16 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 3hjb s THR 308 CO 0.77 0.48 1.17 -2.65 -0.69 0.00 0.00 174.62 173.70 3hjb n PRO 309 N 3.12 1.33 -0.29 4.92 -0.02 -1.26 -4.65 135.00 138.15 3hjb n PRO 309 Ca -0.16 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 3hjb n PRO 309 Cb 0.53 -2.35 0.41 0.00 -0.02 0.00 0.00 33.50 32.06 3hjb n PRO 309 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3hjb h PHE 310 N 1.06 0.80 0.00 6.00 0.04 -1.97 -0.85 116.94 122.03 3hjb h PHE 310 Ca -0.49 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3hjb h PHE 310 Cb 1.33 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.24 3hjb h PHE 310 CO 0.42 0.23 0.00 0.93 -0.60 0.00 0.00 178.31 179.29 3hjb h GLU 311 N 0.62 0.00 0.00 1.51 3.07 -2.00 -1.92 114.58 115.86 3hjb h GLU 311 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3hjb h GLU 311 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3hjb h GLU 311 CO -0.25 0.00 -0.02 0.43 -1.40 0.00 0.00 179.01 177.78 3hjb n SER 312 N -2.63 1.41 -4.49 1.42 7.64 -0.38 -5.01 113.62 111.58 3hjb n SER 312 Ca -0.01 -1.80 -0.43 0.00 1.01 0.00 0.00 58.87 57.63 3hjb n SER 312 Cb 0.10 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 3hjb n SER 312 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3hjb s ASN 313 N -0.86 6.28 0.12 6.43 3.84 -0.72 -4.92 114.94 125.10 3hjb s ASN 313 Ca 0.02 -0.61 -0.24 0.00 0.21 0.00 0.00 52.86 52.24 3hjb s ASN 313 Cb 0.02 -2.32 -0.06 0.00 -0.55 0.00 0.00 41.25 38.35 3hjb s ASN 313 CO 0.00 -0.88 1.66 0.40 -2.79 0.00 0.00 177.10 175.49 3hjb h ILE 314 N 5.88 0.54 -0.52 -5.21 2.04 -1.92 -0.71 117.51 117.62 3hjb h ILE 314 Ca -0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hjb h ILE 314 Cb 1.09 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3hjb h ILE 314 CO 0.95 0.00 0.32 -0.65 0.00 0.00 0.00 178.15 178.76 3hjb h PRO 315 N -0.30 0.70 -0.24 2.37 0.11 -1.94 -0.88 132.00 131.83 3hjb h PRO 315 Ca 0.06 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 3hjb h PRO 315 Cb 0.38 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3hjb h PRO 315 CO -0.19 0.49 -0.04 0.28 -0.21 0.00 0.00 178.00 178.33 3hjb h VAL 316 N 0.71 1.27 -0.16 3.15 2.07 -1.77 -0.73 116.25 120.79 3hjb h VAL 316 Ca 0.19 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hjb h VAL 316 Cb -0.03 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3hjb h VAL 316 CO -0.04 0.31 0.11 0.40 0.02 0.00 0.00 177.57 178.37 3hjb h ILE 317 N 0.19 1.06 -0.74 4.57 2.04 -0.73 -0.48 117.51 123.42 3hjb h ILE 317 Ca 0.06 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hjb h ILE 317 Cb 0.48 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3hjb h ILE 317 CO 0.02 0.05 0.40 -0.07 0.00 0.00 0.00 178.15 178.55 3hjb h LEU 318 N 0.21 0.92 -0.54 1.44 3.38 -1.13 -1.32 115.31 118.27 3hjb h LEU 318 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hjb h LEU 318 Cb -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3hjb h LEU 318 CO -0.01 0.76 0.32 0.00 0.09 0.00 0.00 178.44 179.60 3hjb h ALA 319 N 1.20 0.69 -0.30 1.53 0.00 -0.80 -1.47 119.26 120.10 3hjb h ALA 319 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hjb h ALA 319 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hjb h ALA 319 CO -0.04 0.19 -0.09 -0.07 0.00 0.00 0.00 179.25 179.23 3hjb h LEU 320 N 0.73 0.61 -0.84 0.00 3.38 -0.76 -1.00 115.31 117.44 3hjb h LEU 320 Ca 0.19 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hjb h LEU 320 Cb 0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3hjb h LEU 320 CO -0.04 0.85 0.55 0.40 0.09 0.00 0.00 178.44 180.29 3hjb h ILE 321 N 0.36 1.17 -0.77 1.22 2.04 -1.20 -0.80 117.51 119.54 3hjb h ILE 321 Ca 0.07 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3hjb h ILE 321 Cb 0.59 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3hjb h ILE 321 CO 0.03 0.20 0.50 1.23 0.00 0.00 0.00 178.15 180.12 3hjb h GLY 322 N 1.09 1.08 1.01 5.37 0.00 -0.97 -2.35 103.07 108.30 3hjb h GLY 322 Ca 0.32 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3hjb h GLY 322 CO -0.09 0.38 0.41 -2.22 0.00 0.00 0.00 176.54 175.02 3hjb h ILE 323 N 1.02 1.23 -0.64 2.60 2.04 -0.57 0.10 117.51 123.29 3hjb h ILE 323 Ca 0.29 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.65 3hjb h ILE 323 Cb -0.10 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 3hjb h ILE 323 CO -0.07 0.26 0.28 -0.25 0.00 0.00 0.00 178.15 178.37 3hjb h TRP 324 N 1.06 0.50 -0.07 1.37 -0.00 -0.66 0.98 115.95 119.13 3hjb h TRP 324 Ca 0.27 0.03 -0.19 0.00 -0.00 0.00 0.00 58.89 58.99 3hjb h TRP 324 Cb 0.04 -0.13 0.01 0.00 -0.00 0.00 0.00 29.16 29.09 3hjb h TRP 324 CO 0.00 0.16 -0.71 1.88 -0.00 0.00 0.00 178.44 179.77 3hjb h TYR 325 N 0.49 0.85 -0.38 2.65 0.05 -1.07 -1.99 116.97 117.58 3hjb h TYR 325 Ca 0.32 -0.41 -0.10 0.00 0.05 0.00 0.00 58.73 58.58 3hjb h TYR 325 Cb 0.36 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3hjb h TYR 325 CO -0.14 1.23 -0.16 -0.97 -1.05 0.00 0.00 178.16 177.07 3hjb h ASN 326 N 0.24 0.80 0.00 3.88 -1.24 -0.71 -0.57 115.58 117.98 3hjb h ASN 326 Ca -0.07 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.55 3hjb h ASN 326 Cb 1.37 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.20 3hjb h ASN 326 CO 0.14 1.01 -1.32 0.59 -1.29 0.00 0.00 177.43 176.57 3hjb n ASN 327 N -4.29 0.83 -0.03 1.15 4.13 0.32 -3.79 115.26 113.58 3hjb n ASN 327 Ca -0.02 -0.47 -0.05 0.00 1.68 0.00 0.00 54.58 55.72 3hjb n ASN 327 Cb 0.40 1.41 -0.02 0.00 -1.54 0.00 0.00 39.78 40.03 3hjb n ASN 327 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3hjb n PHE 328 N -1.77 0.00 0.57 3.10 3.72 -0.81 -4.68 117.46 117.59 3hjb n PHE 328 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3hjb n PHE 328 Cb 0.37 -0.19 0.40 0.00 -0.94 0.00 0.00 39.48 39.13 3hjb n PHE 328 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hjb h HIS 329 N -0.17 0.00 -0.40 1.38 3.86 -1.30 -3.48 115.15 115.04 3hjb h HIS 329 Ca -0.13 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.95 3hjb h HIS 329 Cb 1.12 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 3hjb h HIS 329 CO -0.01 0.00 -0.12 0.41 0.86 0.00 0.00 177.93 179.06 3hjb n GLY 330 N 1.13 0.74 3.71 2.45 0.00 -0.37 -4.99 105.19 107.86 3hjb n GLY 330 Ca 0.05 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3hjb n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjb s ALA 331 N -2.24 3.38 -0.60 4.61 0.00 -0.37 -4.94 121.76 121.60 3hjb s ALA 331 Ca 0.00 0.80 0.24 0.00 0.00 0.00 0.00 51.96 53.01 3hjb s ALA 331 Cb 0.00 -3.44 0.44 0.00 0.00 0.00 0.00 23.12 20.12 3hjb s ALA 331 CO 0.00 -0.45 1.46 0.93 0.00 0.00 0.00 175.76 177.70 3hjb h GLU 332 N 6.87 0.00 -4.82 0.00 5.08 -1.89 -3.38 114.58 116.45 3hjb h GLU 332 Ca -0.41 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.63 3hjb h GLU 332 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 3hjb h GLU 332 CO 0.81 0.00 -0.63 -1.54 -1.00 0.00 0.00 179.01 176.66 3hjb s SER 333 N -4.68 1.07 -0.02 1.42 1.04 -1.26 -1.06 113.70 110.20 3hjb s SER 333 Ca 0.07 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.18 3hjb s SER 333 Cb 0.12 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.43 3hjb s SER 333 CO 0.69 -0.70 -0.00 -1.61 0.98 0.00 0.00 173.24 172.59 3hjb s GLU 334 N -4.02 0.24 -0.13 4.02 2.02 -0.05 -4.16 118.70 116.64 3hjb s GLU 334 Ca 0.34 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.32 3hjb s GLU 334 Cb 0.07 -0.39 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 3hjb s GLU 334 CO 0.11 -0.09 0.09 0.00 0.02 0.00 0.00 175.26 175.39 3hjb s ALA 335 N 0.77 3.66 -0.21 5.21 0.00 -0.44 -2.37 121.76 128.37 3hjb s ALA 335 Ca -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 3hjb s ALA 335 Cb -0.11 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.17 3hjb s ALA 335 CO -0.01 0.52 -0.10 0.42 0.00 0.00 0.00 175.76 176.58 3hjb s ILE 336 N -0.69 2.77 -0.54 0.00 1.01 -0.11 -0.96 121.20 122.68 3hjb s ILE 336 Ca 0.12 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3hjb s ILE 336 Cb -0.12 -2.27 0.16 0.00 0.01 0.00 0.00 42.46 40.24 3hjb s ILE 336 CO 0.03 0.41 0.38 -0.76 0.00 0.00 0.00 174.94 174.99 3hjb s LEU 337 N 1.37 3.15 0.07 2.97 1.43 0.38 -3.95 118.68 124.10 3hjb s LEU 337 Ca 0.04 -3.28 -0.30 0.00 -1.03 0.00 0.00 54.13 49.56 3hjb s LEU 337 Cb -0.14 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 3hjb s LEU 337 CO -0.07 -0.16 0.99 -2.84 0.23 0.00 0.00 176.35 174.50 3hjb s PRO 338 N -0.49 4.62 -1.26 1.29 0.02 -1.26 -2.29 135.00 135.63 3hjb s PRO 338 Ca 0.26 1.47 -0.08 0.00 0.02 0.00 0.00 61.00 62.66 3hjb s PRO 338 Cb -0.07 -3.40 0.18 0.00 0.02 0.00 0.00 34.50 31.23 3hjb s PRO 338 CO -0.13 0.07 1.86 0.66 -0.33 0.00 0.00 177.00 179.12 3hjb n TYR 339 N 3.29 2.81 -3.18 6.54 4.02 0.10 -0.43 117.16 130.32 3hjb n TYR 339 Ca 0.04 -2.76 0.05 0.00 -0.01 0.00 0.00 57.90 55.22 3hjb n TYR 339 Cb 0.50 -1.85 -0.02 0.00 -0.02 0.00 0.00 39.34 37.95 3hjb n TYR 339 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hjb s ASP 340 N 0.49 -0.80 0.31 7.72 2.15 -1.23 -4.60 116.67 120.72 3hjb s ASP 340 Ca 0.39 0.55 -0.01 0.00 0.43 0.00 0.00 52.55 53.91 3hjb s ASP 340 Cb 0.10 1.69 0.50 0.00 -0.30 0.00 0.00 42.92 44.91 3hjb s ASP 340 CO 0.01 -0.15 1.98 -0.61 -0.17 0.00 0.00 175.17 176.23 3hjb h GLN 341 N 7.96 1.01 -0.10 4.34 5.75 -1.85 -1.78 115.11 130.44 3hjb h GLN 341 Ca -0.17 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.28 3hjb h GLN 341 Cb 1.16 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.48 3hjb h GLN 341 CO 0.04 0.67 0.07 1.88 -2.65 0.00 0.00 178.83 178.84 3hjb h TYR 342 N 1.04 0.07 -0.21 3.99 0.05 -1.90 -2.00 116.97 118.02 3hjb h TYR 342 Ca 0.29 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.00 3hjb h TYR 342 Cb -0.10 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.57 3hjb h TYR 342 CO -0.00 0.05 0.10 1.28 -1.05 0.00 0.00 178.16 178.53 3hjb n LEU 343 N -4.52 3.22 0.25 3.88 4.77 -0.67 -2.70 117.00 121.23 3hjb n LEU 343 Ca -0.01 -1.65 0.17 0.00 -0.03 0.00 0.00 56.01 54.49 3hjb n LEU 343 Cb 0.13 -0.57 0.89 0.00 -2.33 0.00 0.00 43.42 41.54 3hjb n LEU 343 CO 0.34 0.52 1.02 1.12 -1.33 0.00 0.00 177.39 179.06 3hjb h HIS 344 N 0.59 0.00 -0.38 -1.77 2.07 -1.45 -1.67 115.15 112.53 3hjb h HIS 344 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 3hjb h HIS 344 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3hjb h HIS 344 CO 0.36 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.76 3hjb n ARG 345 N -2.72 2.59 0.00 5.12 5.12 -1.26 -4.67 116.66 120.83 3hjb n ARG 345 Ca -0.02 -2.08 -0.12 0.00 -1.93 0.00 0.00 57.85 53.70 3hjb n ARG 345 Cb 0.09 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 3hjb n ARG 345 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3hjb h PHE 346 N 2.59 0.07 -0.72 -1.55 3.57 -1.64 -1.86 116.94 117.40 3hjb h PHE 346 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hjb h PHE 346 Cb 0.77 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3hjb h PHE 346 CO 0.25 0.27 0.44 0.00 -2.23 0.00 0.00 178.31 177.04 3hjb h ALA 347 N 0.79 0.91 -0.73 2.41 0.00 -1.83 -2.42 119.26 118.40 3hjb h ALA 347 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hjb h ALA 347 Cb 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3hjb h ALA 347 CO 0.00 0.38 0.48 0.00 0.00 0.00 0.00 179.25 180.11 3hjb h ALA 348 N 1.23 1.51 -0.55 0.00 0.00 -1.83 -1.37 119.26 118.25 3hjb h ALA 348 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hjb h ALA 348 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3hjb h ALA 348 CO -0.05 0.44 0.31 -0.92 0.00 0.00 0.00 179.25 179.03 3hjb h TYR 349 N 0.95 0.75 0.00 0.00 3.20 -0.86 -2.52 116.97 118.49 3hjb h TYR 349 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3hjb h TYR 349 Cb -0.06 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 37.97 3hjb h TYR 349 CO -0.00 0.54 0.00 0.74 -1.64 0.00 0.00 178.16 177.80 3hjb h PHE 350 N 0.74 0.00 -0.49 -3.82 -1.00 -1.00 -2.00 116.94 109.37 3hjb h PHE 350 Ca 0.19 0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.01 3hjb h PHE 350 Cb 0.04 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 3hjb h PHE 350 CO -0.02 0.00 0.27 1.96 -1.61 0.00 0.00 178.31 178.91 3hjb h GLN 351 N 0.00 0.51 0.05 1.51 4.20 -0.82 0.56 115.11 121.13 3hjb h GLN 351 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hjb h GLN 351 Cb 0.53 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3hjb h GLN 351 CO 0.00 0.34 -0.03 0.37 -0.67 0.00 0.00 178.83 178.84 3hjb h GLN 352 N 0.52 -0.07 -0.84 1.46 4.15 -1.49 -1.32 115.11 117.52 3hjb h GLN 352 Ca 0.21 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.72 3hjb h GLN 352 Cb 0.09 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 3hjb h GLN 352 CO -0.13 0.52 0.50 0.78 -1.93 0.00 0.00 178.83 178.56 3hjb h GLY 353 N -0.74 1.30 0.00 2.39 0.00 -1.30 -1.23 103.07 103.49 3hjb h GLY 353 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3hjb h GLY 353 CO 0.01 0.17 -0.30 -0.57 0.00 0.00 0.00 176.54 175.85 3hjb h ASN 354 N 0.86 0.00 -0.21 0.19 -0.73 -1.00 -3.30 115.58 111.38 3hjb h ASN 354 Ca 0.40 -0.24 -0.14 0.00 1.87 0.00 0.00 56.30 58.19 3hjb h ASN 354 Cb 0.31 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3hjb h ASN 354 CO -0.23 0.78 -0.35 0.24 -0.37 0.00 0.00 177.43 177.51 3hjb h MET 355 N -1.00 0.73 0.00 6.67 2.86 -1.22 0.18 114.93 123.15 3hjb h MET 355 Ca -0.04 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.15 3hjb h MET 355 Cb 0.48 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3hjb h MET 355 CO -0.03 0.97 -0.41 1.49 1.06 0.00 0.00 176.91 179.99 3hjb h GLU 356 N 0.61 0.00 0.16 1.72 4.81 -1.31 -0.82 114.58 119.75 3hjb h GLU 356 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3hjb h GLU 356 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3hjb h GLU 356 CO 0.08 0.41 -0.08 0.77 -0.73 0.00 0.00 179.01 179.47 3hjb h SER 357 N 0.00 -0.18 -0.33 1.04 0.02 -1.52 -3.40 113.55 109.18 3hjb h SER 357 Ca -0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3hjb h SER 357 Cb 0.98 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3hjb h SER 357 CO 0.05 0.39 0.00 0.59 -1.14 0.00 0.00 176.83 176.73 3hjb n ASN 358 N -4.91 3.12 -4.12 3.07 3.02 0.01 -4.20 115.26 111.25 3hjb n ASN 358 Ca -0.07 -1.90 -0.43 0.00 -0.03 0.00 0.00 54.58 52.15 3hjb n ASN 358 Cb 0.25 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3hjb n ASN 358 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjb n GLY 359 N 1.15 3.67 3.10 7.41 0.00 -0.31 -1.12 105.19 119.09 3hjb n GLY 359 Ca 0.16 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 3hjb n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjb s LYS 360 N 3.30 0.64 0.00 1.61 -0.14 -1.26 -4.96 119.74 118.93 3hjb s LYS 360 Ca 0.49 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.09 3hjb s LYS 360 Cb 0.09 -0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.03 3hjb s LYS 360 CO -0.01 0.01 0.25 2.48 -0.76 0.00 0.00 175.35 177.32 3hjb n TYR 361 N 0.78 0.00 -4.93 3.18 0.18 -1.26 -4.69 117.16 110.41 3hjb n TYR 361 Ca -0.18 -0.03 -0.33 0.00 1.88 0.00 0.00 57.90 59.25 3hjb n TYR 361 Cb 0.57 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.38 3hjb n TYR 361 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hjb s VAL 362 N -0.05 2.58 0.96 -3.48 1.01 -1.26 -0.92 120.40 119.24 3hjb s VAL 362 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3hjb s VAL 362 Cb 0.00 -2.05 0.18 0.00 0.00 0.00 0.00 36.38 34.51 3hjb s VAL 362 CO 0.00 0.54 1.23 1.51 0.00 0.00 0.00 175.10 178.38 3hjb s ASP 363 N 0.40 3.07 0.43 3.32 1.47 0.45 -4.55 116.67 121.26 3hjb s ASP 363 Ca -0.14 0.55 0.30 0.00 1.18 0.00 0.00 52.55 54.44 3hjb s ASP 363 Cb -0.17 -0.80 1.40 0.00 -0.34 0.00 0.00 42.92 43.01 3hjb s ASP 363 CO 0.06 -2.78 1.90 0.03 0.68 0.00 0.00 175.17 175.06 3hjb h ARG 364 N -1.67 0.00 -0.01 2.11 3.08 -0.92 -0.33 114.38 116.65 3hjb h ARG 364 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3hjb h ARG 364 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3hjb h ARG 364 CO 0.47 0.00 -0.07 0.09 -1.07 0.00 0.00 179.97 179.38 3hjb n ASN 365 N -2.63 1.42 0.00 7.04 3.02 -1.26 -4.93 115.26 117.91 3hjb n ASN 365 Ca -0.00 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3hjb n ASN 365 Cb 0.18 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3hjb n ASN 365 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjb n GLY 366 N 1.23 0.66 3.76 7.41 0.00 -0.13 -5.07 105.19 113.05 3hjb n GLY 366 Ca 0.17 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3hjb n GLY 366 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjb s ASN 367 N -2.22 5.65 0.38 1.61 0.01 -1.26 -4.82 114.94 114.30 3hjb s ASN 367 Ca 0.00 0.24 -0.28 0.00 -0.71 0.00 0.00 52.86 52.12 3hjb s ASN 367 Cb 0.00 -1.68 -0.10 0.00 0.41 0.00 0.00 41.25 39.88 3hjb s ASN 367 CO 0.00 0.37 1.44 -2.84 -1.51 0.00 0.00 177.10 174.56 3hjb s PRO 368 N -1.05 4.08 0.54 -0.60 0.02 -1.26 -0.41 135.00 136.31 3hjb s PRO 368 Ca 0.15 2.47 -0.19 0.00 0.02 0.00 0.00 61.00 63.45 3hjb s PRO 368 Cb -0.12 -2.93 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 3hjb s PRO 368 CO 0.05 -0.52 1.10 0.14 -0.33 0.00 0.00 177.00 177.44 3hjb s VAL 369 N -1.14 3.34 -0.22 3.83 -7.23 -0.10 -4.80 120.40 114.07 3hjb s VAL 369 Ca 0.54 0.81 0.12 0.00 -1.81 0.00 0.00 61.98 61.63 3hjb s VAL 369 Cb -0.45 -3.32 0.44 0.00 0.56 0.00 0.00 36.38 33.61 3hjb s VAL 369 CO 0.60 -0.20 1.30 0.35 -0.31 0.00 0.00 175.10 176.84 3hjb n THR 370 N -1.33 2.28 -3.89 5.32 -2.24 -1.26 -5.01 114.28 108.14 3hjb n THR 370 Ca 0.11 -2.83 -0.09 0.00 -2.27 0.00 0.00 64.05 58.97 3hjb n THR 370 Cb 0.51 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 3hjb n THR 370 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3hjb s TYR 371 N -3.16 0.14 0.26 4.78 -0.85 -1.26 -5.14 117.35 112.12 3hjb s TYR 371 Ca 0.40 -0.51 -0.30 0.00 -0.52 0.00 0.00 57.07 56.14 3hjb s TYR 371 Cb 0.37 0.30 -0.09 0.00 0.38 0.00 0.00 41.96 42.91 3hjb s TYR 371 CO -0.02 -0.97 1.06 -0.65 -1.52 0.00 0.00 175.55 173.45 3hjb s GLN 372 N -3.95 4.69 0.00 -3.49 -1.52 -1.26 -5.05 119.66 109.07 3hjb s GLN 372 Ca 0.16 1.72 0.00 0.00 -1.95 0.00 0.00 55.36 55.29 3hjb s GLN 372 Cb -0.01 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3hjb s GLN 372 CO 0.04 0.27 0.00 0.25 -0.25 0.00 0.00 175.29 175.60 3hjb n THR 373 N 1.41 0.00 -1.63 -0.19 -2.24 -1.26 -4.88 114.28 105.48 3hjb n THR 373 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3hjb n THR 373 Cb 0.45 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3hjb n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjb n GLY 374 N 5.00 -0.02 3.95 3.38 0.00 -0.27 -5.00 105.19 112.22 3hjb n GLY 374 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3hjb n GLY 374 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hjb s PRO 375 N -2.12 2.32 -0.09 1.61 0.04 -1.26 -4.82 135.00 130.69 3hjb s PRO 375 Ca 0.64 -0.46 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 3hjb s PRO 375 Cb -0.54 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 3hjb s PRO 375 CO 0.56 -1.04 0.84 0.42 0.04 0.00 0.00 177.00 177.82 3hjb s ILE 376 N -3.06 4.92 -0.12 0.56 1.01 -0.22 -4.69 121.20 119.59 3hjb s ILE 376 Ca 0.59 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.90 3hjb s ILE 376 Cb -0.11 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3hjb s ILE 376 CO 0.42 0.13 0.10 -0.63 0.00 0.00 0.00 174.94 174.95 3hjb s ILE 377 N 1.44 5.12 0.33 2.92 -1.09 -1.26 -0.87 121.20 127.80 3hjb s ILE 377 Ca 0.42 0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.73 3hjb s ILE 377 Cb -0.18 -3.23 0.03 0.00 -1.58 0.00 0.00 42.46 37.50 3hjb s ILE 377 CO 0.18 0.59 0.73 -1.66 -1.23 0.00 0.00 174.94 173.56 3hjb s TRP 378 N -0.75 0.00 0.00 3.97 1.48 -1.00 -4.77 118.94 117.87 3hjb s TRP 378 Ca 0.13 -0.55 0.00 0.00 -1.06 0.00 0.00 56.10 54.62 3hjb s TRP 378 Cb -0.12 0.72 0.00 0.00 -1.16 0.00 0.00 33.47 32.92 3hjb s TRP 378 CO 0.03 -1.37 0.00 0.41 -4.06 0.00 0.00 176.95 171.95 3hjb n GLY 379 N -0.49 3.26 3.02 3.67 0.00 -1.26 -0.94 105.19 112.44 3hjb n GLY 379 Ca -0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 3hjb n GLY 379 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjb s GLU 380 N -2.26 0.42 0.54 1.61 0.41 -1.25 -4.81 118.70 113.34 3hjb s GLU 380 Ca 0.00 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 53.59 3hjb s GLU 380 Cb 0.00 0.04 -0.05 0.00 -1.78 0.00 0.00 34.13 32.33 3hjb s GLU 380 CO 0.00 -0.04 1.25 -1.25 -0.49 0.00 0.00 175.26 174.73 3hjb s PRO 381 N -1.93 3.27 0.41 0.39 0.04 -1.26 -4.31 135.00 131.61 3hjb s PRO 381 Ca -0.10 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 3hjb s PRO 381 Cb -0.07 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 3hjb s PRO 381 CO -0.02 -1.00 0.97 0.20 0.04 0.00 0.00 177.00 177.19 3hjb s GLY 382 N -1.29 2.54 0.00 0.56 0.00 0.42 -1.21 107.32 108.34 3hjb s GLY 382 Ca 0.71 0.49 0.22 0.00 0.00 0.00 0.00 44.72 46.14 3hjb s GLY 382 CO 0.39 0.83 1.64 -1.30 0.00 0.00 0.00 173.10 174.65 3hjb n THR 383 N -0.33 0.13 0.00 0.90 -2.24 -1.26 -3.57 114.28 107.90 3hjb n THR 383 Ca 0.06 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 3hjb n THR 383 Cb 0.52 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 3hjb n THR 383 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hjb h ASN 384 N 1.63 -0.20 -0.25 3.42 2.35 -1.62 -2.28 115.58 118.62 3hjb h ASN 384 Ca 0.00 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3hjb h ASN 384 Cb 0.35 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 3hjb h ASN 384 CO 0.00 -0.09 -0.15 1.23 -1.65 0.00 0.00 177.43 176.78 3hjb h GLY 385 N -0.06 0.73 0.33 2.83 0.00 -1.35 -2.73 103.07 102.82 3hjb h GLY 385 Ca 0.06 -0.56 0.13 0.00 0.00 0.00 0.00 47.33 46.97 3hjb h GLY 385 CO -0.14 0.51 0.51 -1.61 0.00 0.00 0.00 176.54 175.81 3hjb h GLN 386 N 0.61 0.74 -0.16 4.80 4.15 -1.70 -0.78 115.11 122.77 3hjb h GLN 386 Ca 0.10 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3hjb h GLN 386 Cb 0.60 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3hjb h GLN 386 CO 0.04 0.49 0.00 0.72 -1.93 0.00 0.00 178.83 178.15 3hjb n HIS 387 N -4.77 0.20 -0.05 3.99 8.25 -0.90 -3.66 115.22 118.28 3hjb n HIS 387 Ca 0.17 -0.10 -0.06 0.00 -0.26 0.00 0.00 57.72 57.48 3hjb n HIS 387 Cb 0.40 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 3hjb n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hjb n ALA 388 N 0.27 1.41 -0.30 -1.41 0.00 -0.41 -4.94 120.51 115.12 3hjb n ALA 388 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hjb n ALA 388 Cb 0.32 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3hjb n ALA 388 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3hjb n PHE 389 N -4.05 0.00 0.27 0.00 1.16 -0.53 -4.73 117.46 109.59 3hjb n PHE 389 Ca -0.09 -0.15 0.14 0.00 -1.87 0.00 0.00 57.45 55.48 3hjb n PHE 389 Cb 0.34 -0.01 0.77 0.00 -1.61 0.00 0.00 39.48 38.97 3hjb n PHE 389 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 3hjb h TYR 390 N 0.00 0.00 -0.81 2.97 -1.99 -1.63 -2.12 116.97 113.40 3hjb h TYR 390 Ca 0.00 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.92 3hjb h TYR 390 Cb 0.36 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.97 3hjb h TYR 390 CO 0.00 0.09 0.20 0.37 -0.00 0.00 0.00 178.16 178.82 3hjb h GLN 391 N 0.00 0.24 -0.22 4.88 5.75 -1.84 -0.06 115.11 123.85 3hjb h GLN 391 Ca -0.00 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 3hjb h GLN 391 Cb 0.34 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3hjb h GLN 391 CO 0.01 0.16 -0.53 1.25 -2.65 0.00 0.00 178.83 177.07 3hjb h LEU 392 N 0.25 0.71 -0.69 -2.39 6.46 -1.74 0.12 115.31 118.03 3hjb h LEU 392 Ca 0.48 -0.37 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 3hjb h LEU 392 Cb 0.88 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 3hjb h LEU 392 CO -0.58 1.10 0.23 0.40 -0.62 0.00 0.00 178.44 178.97 3hjb h ILE 393 N 0.50 1.25 0.06 4.05 2.04 -1.20 0.05 117.51 124.26 3hjb h ILE 393 Ca 0.02 -0.85 -0.28 0.00 1.00 0.00 0.00 64.86 64.74 3hjb h ILE 393 Cb 1.08 0.51 0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3hjb h ILE 393 CO 0.10 0.33 -1.15 0.45 0.00 0.00 0.00 178.15 177.89 3hjb h HIS 394 N 1.00 1.03 0.00 1.37 3.86 -0.97 -3.41 115.15 118.03 3hjb h HIS 394 Ca 0.22 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 3hjb h HIS 394 Cb 0.28 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3hjb h HIS 394 CO 0.02 1.44 -0.24 1.04 0.86 0.00 0.00 177.93 181.06 3hjb n GLN 395 N -3.82 0.67 -0.41 2.45 6.02 0.02 -4.63 117.38 117.69 3hjb n GLN 395 Ca -0.12 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.32 3hjb n GLN 395 Cb 0.94 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 31.31 3hjb n GLN 395 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hjb n GLY 396 N -0.54 0.45 0.56 1.08 0.00 0.00 -4.93 105.19 101.81 3hjb n GLY 396 Ca 0.06 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.25 3hjb n GLY 396 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hjb n THR 397 N -1.20 1.46 -4.93 2.61 -2.24 -1.26 -4.99 114.28 103.73 3hjb n THR 397 Ca 0.00 -1.38 -0.32 0.00 -2.27 0.00 0.00 64.05 60.08 3hjb n THR 397 Cb 0.00 0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 3hjb n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hjb s LYS 398 N -1.71 2.41 -0.19 -0.78 3.01 -1.26 -5.10 119.74 116.12 3hjb s LYS 398 Ca 0.26 -0.75 -0.22 0.00 -1.01 0.00 0.00 55.97 54.24 3hjb s LYS 398 Cb 0.18 -2.32 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 3hjb s LYS 398 CO 0.10 0.61 0.70 -1.17 0.51 0.00 0.00 175.35 176.10 3hjb s LEU 399 N -0.78 4.15 -0.39 3.17 2.96 -1.26 -4.92 118.68 121.61 3hjb s LEU 399 Ca 0.12 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 3hjb s LEU 399 Cb -0.11 -3.01 0.13 0.00 0.50 0.00 0.00 46.19 43.70 3hjb s LEU 399 CO 0.01 -0.32 0.19 -0.63 -1.32 0.00 0.00 176.35 174.28 3hjb s ILE 400 N 2.01 1.05 0.33 6.68 1.01 -1.26 -4.58 121.20 126.44 3hjb s ILE 400 Ca 0.32 -2.08 -0.29 0.00 0.00 0.00 0.00 60.65 58.60 3hjb s ILE 400 Cb -0.16 -1.75 -0.11 0.00 0.01 0.00 0.00 42.46 40.44 3hjb s ILE 400 CO 0.11 -0.85 1.57 -2.84 0.00 0.00 0.00 174.94 172.93 3hjb s PRO 401 N 0.84 4.11 -0.03 2.79 0.02 -1.26 -4.76 135.00 136.71 3hjb s PRO 401 Ca 0.15 2.60 0.05 0.00 0.02 0.00 0.00 61.00 63.82 3hjb s PRO 401 Cb -0.22 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 3hjb s PRO 401 CO -0.07 -0.61 -0.19 0.00 -0.33 0.00 0.00 177.00 175.80 3hjb s ASP 403 N -0.27 5.69 -0.17 0.00 1.11 -0.13 -1.16 116.67 121.75 3hjb s ASP 403 Ca 0.03 -0.99 -0.18 0.00 0.18 0.00 0.00 52.55 51.59 3hjb s ASP 403 Cb -0.09 -2.01 -0.04 0.00 1.07 0.00 0.00 42.92 41.85 3hjb s ASP 403 CO 0.01 -0.37 0.48 -0.36 1.18 0.00 0.00 175.17 176.10 3hjb s PHE 404 N 1.54 3.43 -0.04 4.23 0.40 -0.08 -0.47 117.98 126.99 3hjb s PHE 404 Ca 0.02 0.79 0.04 0.00 -0.60 0.00 0.00 56.93 57.18 3hjb s PHE 404 Cb -0.19 -2.60 -0.00 0.00 0.51 0.00 0.00 43.02 40.74 3hjb s PHE 404 CO 0.06 0.02 -0.15 0.42 0.70 0.00 0.00 175.22 176.27 3hjb s ILE 405 N 1.18 1.29 -0.05 0.64 1.01 -0.97 -0.48 121.20 123.82 3hjb s ILE 405 Ca 0.24 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 3hjb s ILE 405 Cb -0.15 -1.11 0.06 0.00 0.01 0.00 0.00 42.46 41.26 3hjb s ILE 405 CO 0.09 0.38 0.57 0.00 0.00 0.00 0.00 174.94 175.98 3hjb s ALA 406 N 0.09 -1.48 0.13 9.38 0.00 -0.52 0.01 121.76 129.37 3hjb s ALA 406 Ca -0.04 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 3hjb s ALA 406 Cb -0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 3hjb s ALA 406 CO 0.02 -0.33 0.48 -1.25 0.00 0.00 0.00 175.76 174.67 3hjb s PRO 407 N -1.13 3.83 0.25 0.00 0.04 -1.26 -1.24 135.00 135.48 3hjb s PRO 407 Ca -0.11 0.28 0.07 0.00 0.04 0.00 0.00 61.00 61.28 3hjb s PRO 407 Cb -0.02 -2.90 0.28 0.00 0.04 0.00 0.00 34.50 31.90 3hjb s PRO 407 CO 0.08 0.48 1.57 0.00 0.04 0.00 0.00 177.00 179.17 3hjb h ALA 408 N 3.38 0.88 -3.11 8.56 0.00 -0.26 -3.44 119.26 125.28 3hjb h ALA 408 Ca -0.48 -0.57 -0.67 0.00 0.00 0.00 0.00 54.91 53.18 3hjb h ALA 408 Cb 1.19 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.54 3hjb h ALA 408 CO 0.67 0.77 -0.86 0.08 0.00 0.00 0.00 179.25 179.92 3hjb s VAL 409 N -3.62 2.13 0.45 0.00 1.01 -0.22 -5.04 120.40 115.11 3hjb s VAL 409 Ca -0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3hjb s VAL 409 Cb 0.12 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 3hjb s VAL 409 CO 0.78 0.54 0.90 -0.55 0.00 0.00 0.00 175.10 176.77 3hjb s SER 410 N 1.13 6.66 0.17 3.32 0.15 -1.26 -4.55 113.70 119.32 3hjb s SER 410 Ca 0.01 1.44 0.26 0.00 0.70 0.00 0.00 55.95 58.36 3hjb s SER 410 Cb -0.14 -2.45 0.91 0.00 -1.71 0.00 0.00 66.02 62.63 3hjb s SER 410 CO -0.09 -0.46 1.79 1.41 1.20 0.00 0.00 173.24 177.09 3hjb n HIS 411 N -1.24 0.72 -3.85 3.44 8.25 -1.26 -4.59 115.22 116.69 3hjb n HIS 411 Ca 0.05 0.22 -0.36 0.00 -0.26 0.00 0.00 57.72 57.37 3hjb n HIS 411 Cb 0.54 -0.86 -0.13 0.00 1.12 0.00 0.00 29.99 30.66 3hjb n HIS 411 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hjb s ASN 412 N -4.17 5.05 -1.19 0.41 0.01 -1.26 -5.01 114.94 108.77 3hjb s ASN 412 Ca 0.10 -1.28 -0.05 0.00 -0.71 0.00 0.00 52.86 50.93 3hjb s ASN 412 Cb 0.13 -1.77 0.22 0.00 0.41 0.00 0.00 41.25 40.24 3hjb s ASN 412 CO 0.55 -0.30 1.95 0.18 -1.51 0.00 0.00 177.10 177.97 3hjb n LEU 413 N 4.68 7.22 -4.35 0.60 4.77 -1.26 -4.91 117.00 123.75 3hjb n LEU 413 Ca -0.12 -5.02 -0.38 0.00 -0.03 0.00 0.00 56.01 50.47 3hjb n LEU 413 Cb 0.44 -1.33 -0.12 0.00 -2.33 0.00 0.00 43.42 40.08 3hjb n LEU 413 CO 0.28 1.82 -0.26 -0.69 -1.33 0.00 0.00 177.39 177.21 3hjb s VAL 414 N -1.86 4.05 0.00 4.08 1.01 -1.26 -5.03 120.40 121.39 3hjb s VAL 414 Ca 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hjb s VAL 414 Cb 0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3hjb s VAL 414 CO -0.04 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3hjb n GLY 415 N 4.88 2.01 1.20 4.51 0.00 -1.26 -2.87 105.19 113.67 3hjb n GLY 415 Ca -0.14 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.66 3hjb n GLY 415 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hjb n ASP 416 N -0.51 4.31 -0.25 1.61 5.68 -1.26 -4.67 116.55 121.46 3hjb n ASP 416 Ca 0.00 -3.05 0.03 0.00 -0.50 0.00 0.00 54.79 51.27 3hjb n ASP 416 Cb 0.00 -0.60 0.16 0.00 -1.14 0.00 0.00 41.12 39.54 3hjb n ASP 416 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3hjb h HIS 417 N 2.32 0.62 -0.43 2.11 3.86 -1.93 -2.24 115.15 119.46 3hjb h HIS 417 Ca 0.03 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 3hjb h HIS 417 Cb 1.64 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.93 3hjb h HIS 417 CO 0.71 0.19 -0.29 1.25 0.86 0.00 0.00 177.93 180.64 3hjb h HIS 418 N 0.57 1.12 -0.78 2.45 -0.00 -1.83 0.47 115.15 117.15 3hjb h HIS 418 Ca 0.38 -0.30 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 3hjb h HIS 418 Cb 0.45 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 3hjb h HIS 418 CO -0.12 1.12 0.34 1.96 -0.00 0.00 0.00 177.93 181.23 3hjb h GLN 419 N 0.81 1.13 -0.18 5.26 4.20 -1.86 0.60 115.11 125.07 3hjb h GLN 419 Ca 0.09 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3hjb h GLN 419 Cb 0.88 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3hjb h GLN 419 CO 0.08 0.90 0.05 0.87 -0.67 0.00 0.00 178.83 180.05 3hjb h LYS 420 N 1.12 0.28 -0.32 1.46 1.57 -1.04 -0.37 116.57 119.26 3hjb h LYS 420 Ca 0.26 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3hjb h LYS 420 Cb 0.17 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3hjb h LYS 420 CO -0.03 0.41 0.06 1.25 -0.57 0.00 0.00 179.45 180.57 3hjb h LEU 421 N 0.10 -0.00 -1.16 2.94 5.85 -0.61 -2.65 115.31 119.78 3hjb h LEU 421 Ca 0.06 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3hjb h LEU 421 Cb 0.26 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hjb h LEU 421 CO 0.00 0.03 -0.31 0.24 -0.34 0.00 0.00 178.44 178.06 3hjb h MET 422 N 0.17 0.18 -0.79 1.25 2.86 -0.72 -2.13 114.93 115.76 3hjb h MET 422 Ca 0.15 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3hjb h MET 422 Cb 0.17 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3hjb h MET 422 CO -0.20 0.48 0.52 0.66 1.06 0.00 0.00 176.91 179.43 3hjb h SER 423 N 0.16 0.88 -0.30 1.22 4.64 -0.70 -1.13 113.55 118.31 3hjb h SER 423 Ca 0.02 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3hjb h SER 423 Cb 0.64 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3hjb h SER 423 CO 0.05 0.62 -0.28 0.78 -0.87 0.00 0.00 176.83 177.13 3hjb h ASN 424 N 1.03 0.76 -0.51 4.97 2.35 -1.28 -1.36 115.58 121.55 3hjb h ASN 424 Ca 0.30 -0.46 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3hjb h ASN 424 Cb -0.06 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.03 3hjb h ASN 424 CO -0.07 1.07 0.16 0.15 -1.65 0.00 0.00 177.43 177.08 3hjb h PHE 425 N 0.46 0.28 -0.05 1.19 3.57 -0.73 -0.44 116.94 121.23 3hjb h PHE 425 Ca 0.05 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 3hjb h PHE 425 Cb 0.84 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.54 3hjb h PHE 425 CO 0.07 0.07 -0.54 0.74 -2.23 0.00 0.00 178.31 176.42 3hjb h PHE 426 N 0.33 0.65 -0.57 0.41 0.04 -1.27 -3.32 116.94 113.20 3hjb h PHE 426 Ca 0.25 -0.32 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 3hjb h PHE 426 Cb 0.29 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3hjb h PHE 426 CO -0.18 1.11 0.07 0.00 -0.60 0.00 0.00 178.31 178.71 3hjb h ALA 427 N 0.40 1.05 -0.59 2.45 0.00 -1.05 -2.90 119.26 118.61 3hjb h ALA 427 Ca -0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3hjb h ALA 427 Cb 1.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hjb h ALA 427 CO 0.11 0.61 0.12 1.96 0.00 0.00 0.00 179.25 182.05 3hjb h GLN 428 N 0.87 0.96 -0.15 0.00 1.08 -1.19 0.36 115.11 117.04 3hjb h GLN 428 Ca 0.17 -0.24 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 3hjb h GLN 428 Cb 0.42 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3hjb h GLN 428 CO 0.01 0.90 -0.50 1.79 -0.95 0.00 0.00 178.83 180.08 3hjb h THR 429 N 0.86 1.33 -0.35 -0.54 1.35 -1.65 -0.35 112.91 113.57 3hjb h THR 429 Ca 0.18 -1.73 -0.01 0.00 -0.55 0.00 0.00 66.41 64.30 3hjb h THR 429 Cb 0.38 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 3hjb h THR 429 CO 0.01 0.53 0.19 -0.08 -0.25 0.00 0.00 175.52 175.91 3hjb h GLU 430 N 0.33 0.49 -0.27 4.72 4.81 -1.29 -1.04 114.58 122.34 3hjb h GLU 430 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hjb h GLU 430 Cb 0.99 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3hjb h GLU 430 CO 0.09 0.41 0.13 0.00 -0.73 0.00 0.00 179.01 178.90 3hjb h ALA 431 N 1.05 0.34 -0.71 2.92 0.00 -0.73 -1.93 119.26 120.21 3hjb h ALA 431 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 431 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hjb h ALA 431 CO -0.02 -0.09 0.46 -0.07 0.00 0.00 0.00 179.25 179.53 3hjb h LEU 432 N 0.29 0.83 -0.05 0.00 3.38 -0.96 -0.63 115.31 118.18 3hjb h LEU 432 Ca 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hjb h LEU 432 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3hjb h LEU 432 CO -0.01 0.61 -0.08 0.00 0.09 0.00 0.00 178.44 179.06 3hjb h ALA 433 N 1.25 0.08 0.00 1.53 0.00 -1.07 -0.85 119.26 120.19 3hjb h ALA 433 Ca 0.26 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hjb h ALA 433 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hjb h ALA 433 CO -0.05 -0.09 -1.89 1.19 0.00 0.00 0.00 179.25 178.41 3hjb n PHE 434 N -4.71 0.00 -4.99 0.00 3.72 -0.74 -0.92 117.46 109.82 3hjb n PHE 434 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3hjb n PHE 434 Cb 0.32 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3hjb n PHE 434 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hjb n GLY 435 N 1.56 1.01 3.52 1.37 0.00 -0.25 -4.65 105.19 107.75 3hjb n GLY 435 Ca -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 3hjb n GLY 435 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hjb s LYS 436 N 0.00 0.51 0.72 1.61 2.20 -0.14 -4.94 119.74 119.69 3hjb s LYS 436 Ca 0.00 1.32 -0.11 0.00 -0.36 0.00 0.00 55.97 56.82 3hjb s LYS 436 Cb 0.00 0.71 0.02 0.00 -1.51 0.00 0.00 37.83 37.05 3hjb s LYS 436 CO 0.00 -0.23 1.09 -1.54 -0.36 0.00 0.00 175.35 174.30 3hjb s SER 437 N 2.82 5.30 0.29 1.43 1.04 -1.26 -1.39 113.70 121.92 3hjb s SER 437 Ca -0.04 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 57.60 3hjb s SER 437 Cb -0.12 -2.05 0.40 0.00 0.10 0.00 0.00 66.02 64.35 3hjb s SER 437 CO -0.17 -1.45 1.96 0.00 0.98 0.00 0.00 173.24 174.56 3hjb h ALA 438 N -0.73 1.38 -0.44 5.32 0.00 -1.93 -0.41 119.26 122.45 3hjb h ALA 438 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hjb h ALA 438 Cb 1.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3hjb h ALA 438 CO 0.62 0.57 0.29 0.37 0.00 0.00 0.00 179.25 181.10 3hjb h GLN 439 N 1.18 0.58 -0.28 0.00 4.15 -1.99 0.06 115.11 118.80 3hjb h GLN 439 Ca 0.32 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 3hjb h GLN 439 Cb -0.13 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3hjb h GLN 439 CO -0.07 0.38 -0.03 0.00 -1.93 0.00 0.00 178.83 177.18 3hjb h ALA 440 N 1.16 0.38 -0.40 3.38 0.00 -1.79 -1.16 119.26 120.83 3hjb h ALA 440 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hjb h ALA 440 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hjb h ALA 440 CO -0.03 0.16 0.08 0.28 0.00 0.00 0.00 179.25 179.74 3hjb h VAL 441 N 0.29 1.23 -0.64 0.00 2.07 -0.92 -1.92 116.25 116.37 3hjb h VAL 441 Ca 0.08 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3hjb h VAL 441 Cb 0.48 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3hjb h VAL 441 CO 0.02 0.28 0.38 -0.61 0.02 0.00 0.00 177.57 177.66 3hjb h GLN 442 N 0.51 0.88 -0.84 1.57 4.15 -0.91 -1.39 115.11 119.07 3hjb h GLN 442 Ca 0.12 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3hjb h GLN 442 Cb 0.33 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 3hjb h GLN 442 CO 0.00 0.64 0.43 0.00 -1.93 0.00 0.00 178.83 177.97 3hjb h ALA 443 N 1.19 1.09 -0.49 3.38 0.00 -1.03 -0.05 119.26 123.35 3hjb h ALA 443 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hjb h ALA 443 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3hjb h ALA 443 CO -0.04 0.63 0.23 1.49 0.00 0.00 0.00 179.25 181.56 3hjb h GLU 444 N 1.19 0.70 -0.34 0.00 4.81 -0.90 -1.65 114.58 118.39 3hjb h GLU 444 Ca 0.29 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3hjb h GLU 444 Cb 0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3hjb h GLU 444 CO -0.04 0.59 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.52 3hjb h LEU 445 N 0.64 0.80 -0.53 1.64 4.07 -1.02 -2.07 115.31 118.84 3hjb h LEU 445 Ca 0.17 -0.44 0.06 0.00 0.08 0.00 0.00 57.88 57.75 3hjb h LEU 445 Cb 0.12 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 3hjb h LEU 445 CO -0.02 1.06 0.24 -0.33 -1.08 0.00 0.00 178.44 178.31 3hjb h GLU 446 N 0.54 0.45 0.00 1.13 5.08 -0.90 -0.97 114.58 119.91 3hjb h GLU 446 Ca 0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3hjb h GLU 446 Cb 0.80 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3hjb h GLU 446 CO 0.06 0.30 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.98 3hjb h LYS 447 N 0.46 0.00 -0.02 2.33 3.64 -1.19 -1.83 116.57 119.96 3hjb h LYS 447 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3hjb h LYS 447 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hjb h LYS 447 CO -0.20 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.15 3hjb n ALA 448 N -2.48 2.59 -0.83 5.00 0.00 -0.43 -4.88 120.51 119.47 3hjb n ALA 448 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3hjb n ALA 448 Cb 0.24 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3hjb n ALA 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjb n GLY 449 N 0.79 0.51 3.82 0.00 0.00 -0.69 -5.05 105.19 104.58 3hjb n GLY 449 Ca 0.13 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3hjb n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjb s LYS 450 N -1.34 4.04 0.64 1.61 -0.14 -0.80 -5.03 119.74 118.72 3hjb s LYS 450 Ca 0.00 1.14 -0.07 0.00 -1.36 0.00 0.00 55.97 55.68 3hjb s LYS 450 Cb 0.00 -2.15 0.02 0.00 -1.68 0.00 0.00 37.83 34.03 3hjb s LYS 450 CO 0.00 -0.20 0.96 -1.54 -0.76 0.00 0.00 175.35 173.81 3hjb s SER 451 N -2.35 5.39 0.31 2.83 1.04 -1.26 -4.69 113.70 114.96 3hjb s SER 451 Ca 0.63 0.74 -0.00 0.00 0.48 0.00 0.00 55.95 57.79 3hjb s SER 451 Cb -0.11 -1.62 0.50 0.00 0.10 0.00 0.00 66.02 64.89 3hjb s SER 451 CO 0.19 -1.24 1.95 0.00 0.98 0.00 0.00 173.24 175.12 3hjb h ALA 452 N -0.36 1.47 -0.45 5.32 0.00 -1.99 -0.82 119.26 122.43 3hjb h ALA 452 Ca -0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3hjb h ALA 452 Cb 1.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3hjb h ALA 452 CO 0.61 0.45 0.11 0.00 0.00 0.00 0.00 179.25 180.42 3hjb h ALA 453 N 1.50 0.60 -0.73 0.00 0.00 -1.99 -0.13 119.26 118.51 3hjb h ALA 453 Ca 0.33 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hjb h ALA 453 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hjb h ALA 453 CO -0.10 0.29 0.29 0.93 0.00 0.00 0.00 179.25 180.67 3hjb h GLU 454 N 0.60 1.09 -0.29 0.00 5.08 -1.81 -1.72 114.58 117.52 3hjb h GLU 454 Ca 0.14 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3hjb h GLU 454 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hjb h GLU 454 CO 0.00 0.89 0.12 0.82 -1.00 0.00 0.00 179.01 179.85 3hjb h ILE 455 N 1.05 1.17 -0.43 3.13 2.04 -0.88 -1.47 117.51 122.12 3hjb h ILE 455 Ca 0.24 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3hjb h ILE 455 Cb 0.21 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3hjb h ILE 455 CO -0.02 0.18 0.11 0.00 0.00 0.00 0.00 178.15 178.42 3hjb h ALA 456 N 0.97 1.40 0.00 1.87 0.00 -0.87 -0.58 119.26 122.04 3hjb h ALA 456 Ca 0.10 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3hjb h ALA 456 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hjb h ALA 456 CO -0.01 0.44 -0.77 0.00 0.00 0.00 0.00 179.25 178.91 3hjb h ALA 457 N 1.51 0.63 0.00 0.00 0.00 -1.04 -3.41 119.26 116.95 3hjb h ALA 457 Ca 0.14 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 3hjb h ALA 457 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 457 CO -0.00 0.96 -1.49 1.28 0.00 0.00 0.00 179.25 179.99 3hjb n LEU 458 N -3.48 1.50 -0.24 0.00 4.77 -0.58 -4.76 117.00 114.22 3hjb n LEU 458 Ca -0.00 -0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 3hjb n LEU 458 Cb 0.78 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.95 3hjb n LEU 458 CO 0.44 0.41 0.87 0.58 -1.33 0.00 0.00 177.39 178.36 3hjb h VAL 459 N 0.00 0.44 -0.73 4.08 2.07 -1.31 -1.44 116.25 119.37 3hjb h VAL 459 Ca -0.19 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.38 3hjb h VAL 459 Cb 1.37 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3hjb h VAL 459 CO -0.01 0.03 0.48 -0.65 0.02 0.00 0.00 177.57 177.44 3hjb h PRO 460 N 0.17 0.56 0.00 1.57 0.11 -1.82 -1.12 132.00 131.47 3hjb h PRO 460 Ca 0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3hjb h PRO 460 Cb 0.67 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hjb h PRO 460 CO -0.57 0.37 0.00 0.74 -0.21 0.00 0.00 178.00 178.33 3hjb h PHE 461 N 0.57 0.00 -0.04 0.65 0.04 -1.58 -3.20 116.94 113.39 3hjb h PHE 461 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 3hjb h PHE 461 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3hjb h PHE 461 CO -0.00 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.34 3hjb n LYS 462 N -2.53 2.30 -2.78 1.51 5.02 -0.44 -4.94 118.16 116.30 3hjb n LYS 462 Ca 0.05 -1.89 -0.41 0.00 -2.02 0.00 0.00 58.31 54.04 3hjb n LYS 462 Cb 0.46 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 3hjb n LYS 462 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hjb s VAL 463 N -1.99 4.51 -0.31 -0.18 1.01 -1.09 -4.94 120.40 117.42 3hjb s VAL 463 Ca 0.29 1.99 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 3hjb s VAL 463 Cb 0.20 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3hjb s VAL 463 CO 0.30 0.34 0.03 -0.36 0.00 0.00 0.00 175.10 175.42 3hjb s PHE 464 N -0.12 3.24 0.40 5.22 0.08 -0.49 -4.96 117.98 121.36 3hjb s PHE 464 Ca 0.45 -1.66 0.22 0.00 0.12 0.00 0.00 56.93 56.05 3hjb s PHE 464 Cb -0.23 -2.16 1.19 0.00 -0.57 0.00 0.00 43.02 41.25 3hjb s PHE 464 CO 0.29 -0.76 2.00 0.93 -0.10 0.00 0.00 175.22 177.57 3hjb h GLU 465 N 8.08 0.00 0.00 0.44 4.39 -1.82 -0.35 114.58 125.32 3hjb h GLU 465 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3hjb h GLU 465 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3hjb h GLU 465 CO 0.56 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 179.00 3hjb n GLY 466 N -0.69 -0.08 2.48 -3.84 0.00 -1.26 -4.71 105.19 97.09 3hjb n GLY 466 Ca -0.02 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 3hjb n GLY 466 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hjb n ASN 467 N -1.25 -5.92 -4.47 1.61 3.02 -0.10 -4.94 115.26 103.21 3hjb n ASN 467 Ca 0.00 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.06 3hjb n ASN 467 Cb 0.00 -4.90 -0.09 0.00 -0.61 0.00 0.00 39.78 34.18 3hjb n ASN 467 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hjb s ARG 468 N -5.12 3.04 0.41 3.52 3.00 -0.36 -5.00 118.95 118.44 3hjb s ARG 468 Ca 0.04 -0.91 -0.20 0.00 0.00 0.00 0.00 55.73 54.66 3hjb s ARG 468 Cb -0.02 -3.99 -0.11 0.00 0.00 0.00 0.00 34.95 30.83 3hjb s ARG 468 CO 0.05 -0.84 0.92 -1.25 0.00 0.00 0.00 175.30 174.18 3hjb s PRO 469 N 1.95 4.21 0.06 3.54 0.04 -1.26 -3.54 135.00 140.00 3hjb s PRO 469 Ca 0.09 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.13 3hjb s PRO 469 Cb -0.18 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3hjb s PRO 469 CO 0.12 0.00 0.14 0.95 0.04 0.00 0.00 177.00 178.25 3hjb s THR 470 N -2.14 0.14 -0.01 1.26 -4.23 -0.51 -2.72 115.64 107.45 3hjb s THR 470 Ca 0.61 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 3hjb s THR 470 Cb -0.09 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 3hjb s THR 470 CO 0.14 -0.65 -0.03 0.20 -0.54 0.00 0.00 174.62 173.74 3hjb s ASN 471 N -2.51 4.90 -0.15 3.99 0.01 -0.31 -4.01 114.94 116.86 3hjb s ASN 471 Ca 0.00 -0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3hjb s ASN 471 Cb 0.02 -1.23 0.01 0.00 0.41 0.00 0.00 41.25 40.47 3hjb s ASN 471 CO -0.08 0.29 -0.21 -0.44 -1.51 0.00 0.00 177.10 175.16 3hjb s SER 472 N -1.43 3.04 -0.27 -1.22 0.01 -0.33 -0.90 113.70 112.59 3hjb s SER 472 Ca 0.18 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 3hjb s SER 472 Cb -0.11 -1.41 0.04 0.00 0.21 0.00 0.00 66.02 64.75 3hjb s SER 472 CO 0.08 0.05 -0.04 -0.63 0.41 0.00 0.00 173.24 173.12 3hjb s ILE 473 N 0.95 2.87 -0.22 1.44 1.01 0.36 -0.34 121.20 127.27 3hjb s ILE 473 Ca -0.04 -1.24 -0.06 0.00 0.00 0.00 0.00 60.65 59.31 3hjb s ILE 473 Cb -0.15 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3hjb s ILE 473 CO -0.04 0.04 0.02 -0.22 0.00 0.00 0.00 174.94 174.73 3hjb s LEU 474 N 1.27 3.27 0.17 2.97 2.96 0.00 -1.44 118.68 127.89 3hjb s LEU 474 Ca -0.03 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3hjb s LEU 474 Cb -0.18 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3hjb s LEU 474 CO -0.03 0.03 -0.13 0.68 -1.32 0.00 0.00 176.35 175.57 3hjb s VAL 475 N 1.22 2.99 0.09 1.68 -7.23 -0.38 -0.82 120.40 117.94 3hjb s VAL 475 Ca 0.04 -1.70 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 3hjb s VAL 475 Cb -0.15 -2.45 -0.16 0.00 0.56 0.00 0.00 36.38 34.18 3hjb s VAL 475 CO 0.02 -0.08 1.72 0.50 -0.31 0.00 0.00 175.10 176.94 3hjb h LYS 476 N 3.09 -0.16 -2.23 4.82 3.64 -1.07 0.13 116.57 124.79 3hjb h LYS 476 Ca -0.47 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 3hjb h LYS 476 Cb 1.20 0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.86 3hjb h LYS 476 CO 0.52 -0.10 0.07 -1.14 -2.27 0.00 0.00 179.45 176.52 3hjb s GLN 477 N -6.16 0.90 -0.51 1.90 0.74 -1.26 -1.05 119.66 114.22 3hjb s GLN 477 Ca -0.14 0.35 -0.27 0.00 0.05 0.00 0.00 55.36 55.35 3hjb s GLN 477 Cb 0.05 0.43 0.03 0.00 1.10 0.00 0.00 33.01 34.62 3hjb s GLN 477 CO 0.65 -0.24 1.08 0.42 -0.55 0.00 0.00 175.29 176.66 3hjb s ILE 478 N -0.80 4.23 0.36 -2.34 -1.09 -1.26 -4.75 121.20 115.56 3hjb s ILE 478 Ca -0.08 0.91 0.06 0.00 -2.23 0.00 0.00 60.65 59.31 3hjb s ILE 478 Cb -0.02 -4.60 -0.07 0.00 -1.58 0.00 0.00 42.46 36.19 3hjb s ILE 478 CO 0.07 -1.08 0.02 0.42 -1.23 0.00 0.00 174.94 173.13 3hjb s THR 479 N 4.39 1.69 0.29 2.92 -4.23 -1.26 -4.96 115.64 114.48 3hjb s THR 479 Ca 0.42 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3hjb s THR 479 Cb -0.08 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.18 3hjb s THR 479 CO 0.27 -0.04 1.86 -0.65 -0.54 0.00 0.00 174.62 175.52 3hjb h PRO 480 N 1.95 0.99 -0.22 3.99 0.11 -1.91 -0.49 132.00 136.42 3hjb h PRO 480 Ca -0.42 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3hjb h PRO 480 Cb 1.24 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3hjb h PRO 480 CO 0.75 0.66 -0.01 -0.09 -0.21 0.00 0.00 178.00 179.10 3hjb h ARG 481 N 1.02 0.40 -0.07 1.05 2.43 -1.88 -1.08 114.38 116.25 3hjb h ARG 481 Ca 0.47 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.39 3hjb h ARG 481 Cb 0.41 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3hjb h ARG 481 CO -0.23 0.59 -0.48 1.79 -1.51 0.00 0.00 179.97 180.13 3hjb h THR 482 N 0.16 1.34 -0.53 0.20 1.35 -1.77 -0.62 112.91 113.04 3hjb h THR 482 Ca 0.06 -1.69 -0.04 0.00 -0.55 0.00 0.00 66.41 64.19 3hjb h THR 482 Cb 0.42 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 3hjb h THR 482 CO 0.01 0.50 0.17 0.25 -0.25 0.00 0.00 175.52 176.20 3hjb h LEU 483 N 0.15 0.77 -0.74 3.87 5.85 -1.03 -1.10 115.31 123.09 3hjb h LEU 483 Ca 0.01 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3hjb h LEU 483 Cb 0.91 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3hjb h LEU 483 CO 0.07 0.77 0.48 1.23 -0.34 0.00 0.00 178.44 180.66 3hjb h GLY 484 N 0.73 1.04 0.45 3.75 0.00 -0.72 -0.16 103.07 108.17 3hjb h GLY 484 Ca 0.17 -0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.16 3hjb h GLY 484 CO -0.01 0.39 -0.04 3.43 0.00 0.00 0.00 176.54 180.31 3hjb h ASN 485 N 1.00 -0.21 -0.40 0.19 -0.26 -0.78 -2.16 115.58 112.97 3hjb h ASN 485 Ca 0.27 0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 56.02 3hjb h ASN 485 Cb -0.10 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 3hjb h ASN 485 CO -0.06 -0.07 -0.04 -0.07 -1.06 0.00 0.00 177.43 176.14 3hjb h LEU 486 N 0.04 0.73 -0.29 1.61 3.38 -0.58 -1.07 115.31 119.14 3hjb h LEU 486 Ca 0.15 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hjb h LEU 486 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hjb h LEU 486 CO -0.28 0.89 0.08 0.40 0.09 0.00 0.00 178.44 179.62 3hjb h ILE 487 N 0.56 1.21 -0.43 1.22 2.04 -0.98 -2.44 117.51 118.69 3hjb h ILE 487 Ca 0.11 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3hjb h ILE 487 Cb 0.54 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3hjb h ILE 487 CO 0.03 0.23 -0.00 0.00 0.00 0.00 0.00 178.15 178.40 3hjb h ALA 488 N 0.91 1.20 -0.26 1.87 0.00 -1.35 -0.90 119.26 120.72 3hjb h ALA 488 Ca 0.09 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hjb h ALA 488 Cb 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hjb h ALA 488 CO -0.00 0.53 0.02 1.98 0.00 0.00 0.00 179.25 181.78 3hjb h MET 489 N 0.65 0.11 -0.34 0.00 1.85 -0.93 -0.91 114.93 115.36 3hjb h MET 489 Ca 0.13 -0.01 -0.14 0.00 -0.61 0.00 0.00 59.70 59.07 3hjb h MET 489 Cb 0.41 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 3hjb h MET 489 CO 0.02 0.07 -0.36 1.88 -0.40 0.00 0.00 176.91 178.12 3hjb h TYR 490 N 0.11 0.93 -0.61 1.39 0.05 -1.04 -1.35 116.97 116.45 3hjb h TYR 490 Ca 0.12 -0.26 0.11 0.00 0.05 0.00 0.00 58.73 58.75 3hjb h TYR 490 Cb 0.15 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 37.60 3hjb h TYR 490 CO -0.18 1.03 0.17 0.93 -1.05 0.00 0.00 178.16 179.05 3hjb h GLU 491 N 0.65 0.31 -0.05 4.88 5.08 -0.79 -0.92 114.58 123.74 3hjb h GLU 491 Ca 0.06 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3hjb h GLU 491 Cb 0.90 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3hjb h GLU 491 CO 0.08 0.20 -0.69 0.45 -1.00 0.00 0.00 179.01 178.06 3hjb h HIS 492 N 0.32 0.31 -0.36 4.33 3.86 -0.96 -1.54 115.15 121.12 3hjb h HIS 492 Ca 0.31 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 59.43 3hjb h HIS 492 Cb 0.44 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 3hjb h HIS 492 CO -0.21 0.84 0.13 -0.22 0.86 0.00 0.00 177.93 179.33 3hjb h LYS 493 N 0.16 0.27 -0.72 2.45 3.64 -0.74 -0.40 116.57 121.23 3hjb h LYS 493 Ca -0.02 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hjb h LYS 493 Cb 1.23 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 3hjb h LYS 493 CO 0.11 0.18 0.48 0.82 -2.27 0.00 0.00 179.45 178.76 3hjb h ILE 494 N 0.28 1.18 -0.16 2.00 2.04 -0.93 -1.73 117.51 120.19 3hjb h ILE 494 Ca 0.16 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3hjb h ILE 494 Cb 0.13 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3hjb h ILE 494 CO -0.16 0.18 0.08 0.15 0.00 0.00 0.00 178.15 178.40 3hjb h PHE 495 N 0.98 0.16 -0.45 1.37 3.57 -0.83 -1.59 116.94 120.14 3hjb h PHE 495 Ca 0.27 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3hjb h PHE 495 Cb -0.11 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3hjb h PHE 495 CO -0.02 0.09 0.29 0.28 -2.23 0.00 0.00 178.31 176.72 3hjb h VAL 496 N 0.18 1.10 -0.73 1.41 2.07 -0.75 -0.88 116.25 118.66 3hjb h VAL 496 Ca 0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hjb h VAL 496 Cb 0.00 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3hjb h VAL 496 CO -0.04 0.11 0.46 1.56 0.02 0.00 0.00 177.57 179.68 3hjb h GLN 497 N 0.59 0.97 -0.39 1.57 4.20 -1.12 -1.43 115.11 119.52 3hjb h GLN 497 Ca 0.17 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3hjb h GLN 497 Cb -0.05 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3hjb h GLN 497 CO -0.04 0.67 -0.05 0.78 -0.67 0.00 0.00 178.83 179.52 3hjb h GLY 498 N 0.99 0.69 0.84 3.46 0.00 -0.90 0.37 103.07 108.52 3hjb h GLY 498 Ca 0.26 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3hjb h GLY 498 CO -0.05 0.43 -0.09 -2.08 0.00 0.00 0.00 176.54 174.74 3hjb h VAL 499 N 0.60 0.87 -0.75 4.60 2.07 -0.69 -2.29 116.25 120.66 3hjb h VAL 499 Ca 0.12 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3hjb h VAL 499 Cb 0.45 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3hjb h VAL 499 CO 0.02 0.08 0.26 0.40 0.02 0.00 0.00 177.57 178.34 3hjb h ILE 500 N -0.42 1.26 0.00 4.57 2.04 -1.06 -1.70 117.51 122.20 3hjb h ILE 500 Ca -0.03 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3hjb h ILE 500 Cb 0.32 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3hjb h ILE 500 CO 0.04 0.35 0.00 0.79 0.00 0.00 0.00 178.15 179.33 3hjb n TRP 501 N -4.26 0.00 -3.57 1.37 8.01 0.10 -4.19 117.44 114.91 3hjb n TRP 501 Ca 0.06 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 56.02 3hjb n TRP 501 Cb 0.22 -0.12 0.08 0.00 -2.01 0.00 0.00 31.31 29.47 3hjb n TRP 501 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3hjb n ASN 502 N -1.12 -5.96 -4.64 -0.99 5.15 -0.64 -4.87 115.26 102.19 3hjb n ASN 502 Ca 0.15 -0.54 -0.30 0.00 -0.60 0.00 0.00 54.58 53.29 3hjb n ASN 502 Cb 0.12 -4.97 -0.09 0.00 -0.53 0.00 0.00 39.78 34.31 3hjb n ASN 502 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hjb s ILE 503 N -3.32 1.43 -0.40 -1.44 -4.36 -0.90 -0.23 121.20 111.98 3hjb s ILE 503 Ca 0.53 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.79 3hjb s ILE 503 Cb -0.23 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 40.98 3hjb s ILE 503 CO 0.72 0.00 0.27 -0.36 0.24 0.00 0.00 174.94 175.80 3hjb s PHE 504 N -2.87 3.25 -1.14 1.37 0.08 -1.26 -4.64 117.98 112.77 3hjb s PHE 504 Ca 0.20 -0.81 0.28 0.00 0.12 0.00 0.00 56.93 56.72 3hjb s PHE 504 Cb 0.05 -2.58 1.16 0.00 -0.57 0.00 0.00 43.02 41.08 3hjb s PHE 504 CO 0.10 -0.64 1.86 0.43 -0.10 0.00 0.00 175.22 176.87 3hjb n SER 505 N 5.08 0.14 -0.30 1.36 7.64 -1.26 -4.22 113.62 122.06 3hjb n SER 505 Ca -0.11 0.16 0.03 0.00 1.01 0.00 0.00 58.87 59.96 3hjb n SER 505 Cb 0.46 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3hjb n SER 505 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hjb n PHE 506 N -1.41 0.08 -3.56 1.43 3.72 -1.26 -4.32 117.46 112.15 3hjb n PHE 506 Ca 0.09 -0.15 -0.24 0.00 -0.05 0.00 0.00 57.45 57.11 3hjb n PHE 506 Cb 0.32 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 3hjb n PHE 506 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3hjb s ASP 507 N -0.68 4.82 -0.46 4.37 1.47 -1.26 -4.96 116.67 119.97 3hjb s ASP 507 Ca 0.09 -1.08 0.06 0.00 1.18 0.00 0.00 52.55 52.80 3hjb s ASP 507 Cb 0.06 0.34 0.32 0.00 -0.34 0.00 0.00 42.92 43.30 3hjb s ASP 507 CO 0.09 -1.18 1.11 0.00 0.68 0.00 0.00 175.17 175.87 3hjb n GLN 508 N -1.94 1.01 0.23 2.11 0.00 -1.26 -4.80 117.38 112.73 3hjb n GLN 508 Ca 0.05 -1.92 0.16 0.00 0.00 0.00 0.00 57.00 55.29 3hjb n GLN 508 Cb 0.63 -1.05 0.71 0.00 0.00 0.00 0.00 30.24 30.54 3hjb n GLN 508 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3hjb h TRP 509 N 3.04 0.00 0.00 2.61 4.06 -1.99 -2.91 115.95 120.77 3hjb h TRP 509 Ca -0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3hjb h TRP 509 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 3hjb h TRP 509 CO 0.31 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.60 3hjb n GLY 510 N -0.38 -0.76 0.02 1.49 0.00 -1.26 -2.56 105.19 101.73 3hjb n GLY 510 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3hjb n GLY 510 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hjb n VAL 511 N -1.26 0.00 -0.05 1.61 0.24 -1.10 -4.56 118.33 113.21 3hjb n VAL 511 Ca 0.08 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 3hjb n VAL 511 Cb 0.12 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 32.89 3hjb n VAL 511 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3hjb h GLU 512 N 0.07 0.82 -0.36 7.34 5.08 -1.73 -3.27 114.58 122.54 3hjb h GLU 512 Ca 0.00 -0.60 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 3hjb h GLU 512 Cb 0.50 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3hjb h GLU 512 CO 0.00 1.22 0.17 1.25 -1.00 0.00 0.00 179.01 180.65 3hjb h LEU 513 N 0.58 0.47 -1.19 1.33 5.85 -1.80 -1.56 115.31 118.99 3hjb h LEU 513 Ca -0.02 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3hjb h LEU 513 Cb 1.28 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 3hjb h LEU 513 CO 0.14 0.47 0.55 1.23 -0.34 0.00 0.00 178.44 180.50 3hjb h GLY 514 N 0.44 1.19 0.77 3.75 0.00 -1.86 -0.72 103.07 106.63 3hjb h GLY 514 Ca 0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3hjb h GLY 514 CO -0.01 0.38 -0.01 0.50 0.00 0.00 0.00 176.54 177.40 3hjb h LYS 515 N 1.08 0.26 -0.33 4.80 1.57 -1.51 -1.25 116.57 121.19 3hjb h LYS 515 Ca 0.32 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3hjb h LYS 515 Cb -0.03 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3hjb h LYS 515 CO -0.09 0.51 0.08 1.96 -0.57 0.00 0.00 179.45 181.35 3hjb h GLN 516 N -0.02 0.20 -0.27 3.15 4.20 -0.93 -0.98 115.11 120.46 3hjb h GLN 516 Ca 0.04 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3hjb h GLN 516 Cb 0.41 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3hjb h GLN 516 CO 0.01 0.13 -0.29 -0.07 -0.67 0.00 0.00 178.83 177.94 3hjb h LEU 517 N 0.20 0.56 -0.82 1.46 3.38 -1.10 -2.65 115.31 116.34 3hjb h LEU 517 Ca 0.16 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3hjb h LEU 517 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3hjb h LEU 517 CO -0.19 0.83 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 3hjb h ALA 518 N 1.21 1.01 -0.38 1.53 0.00 -0.81 -2.05 119.26 119.76 3hjb h ALA 518 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3hjb h ALA 518 Cb 0.75 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hjb h ALA 518 CO 0.06 0.60 0.15 -0.91 0.00 0.00 0.00 179.25 179.16 3hjb h ASN 519 N 0.76 0.48 0.13 0.00 2.35 -0.89 -0.10 115.58 118.31 3hjb h ASN 519 Ca 0.14 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.63 3hjb h ASN 519 Cb 0.53 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3hjb h ASN 519 CO 0.03 0.43 -0.82 1.56 -1.65 0.00 0.00 177.43 176.99 3hjb h GLN 520 N 0.53 0.55 0.03 0.81 1.08 -1.14 -3.33 115.11 113.64 3hjb h GLN 520 Ca 0.13 -0.49 -0.24 0.00 -1.45 0.00 0.00 58.65 56.60 3hjb h GLN 520 Cb 0.10 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3hjb h GLN 520 CO -0.01 1.12 -1.02 0.82 -0.95 0.00 0.00 178.83 178.79 3hjb h ILE 521 N 0.36 1.41 -0.59 2.54 2.04 -1.03 -3.38 117.51 118.86 3hjb h ILE 521 Ca -0.06 -2.56 0.11 0.00 1.00 0.00 0.00 64.86 63.36 3hjb h ILE 521 Cb 1.43 2.53 -0.12 0.00 -0.74 0.00 0.00 36.82 39.92 3hjb h ILE 521 CO 0.15 0.76 -0.29 0.25 0.00 0.00 0.00 178.15 179.02 3hjb h LEU 522 N 0.21 -1.02 -1.91 1.44 5.85 -1.13 0.67 115.31 119.41 3hjb h LEU 522 Ca -0.10 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3hjb h LEU 522 Cb 1.67 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 43.22 3hjb h LEU 522 CO 0.18 -0.29 -0.10 1.55 -0.34 0.00 0.00 178.44 179.44 3hjb h PRO 523 N -0.13 0.00 0.00 5.25 0.13 -1.77 -1.93 132.00 133.55 3hjb h PRO 523 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 3hjb h PRO 523 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3hjb h PRO 523 CO -0.67 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 177.59 3hjb n GLU 524 N -3.52 0.11 0.00 0.86 1.02 0.22 -2.97 120.64 116.36 3hjb n GLU 524 Ca -0.02 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 3hjb n GLU 524 Cb 0.24 -1.70 0.17 0.00 -0.02 0.00 0.00 31.44 30.13 3hjb n GLU 524 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hjb n LEU 525 N -1.91 1.48 -0.18 -4.62 4.77 -0.72 -4.44 117.00 111.37 3hjb n LEU 525 Ca 0.03 -0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 55.42 3hjb n LEU 525 Cb 0.24 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3hjb n LEU 525 CO 0.19 0.28 0.79 0.00 -1.33 0.00 0.00 177.39 177.32 3hjb h ALA 526 N 3.72 0.70 -5.23 -1.18 0.00 -1.66 -3.46 119.26 112.15 3hjb h ALA 526 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 3hjb h ALA 526 Cb 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3hjb h ALA 526 CO 0.00 0.54 -0.16 -0.40 0.00 0.00 0.00 179.25 179.22 3hjb n ASP 527 N -4.27 2.06 -0.99 0.00 5.68 -1.26 -5.05 116.55 112.72 3hjb n ASP 527 Ca 0.01 -2.20 0.12 0.00 -0.50 0.00 0.00 54.79 52.22 3hjb n ASP 527 Cb 0.34 -0.05 0.25 0.00 -1.14 0.00 0.00 41.12 40.52 3hjb n ASP 527 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hjb n SER 528 N -1.95 2.98 -4.77 -1.12 3.41 -1.26 -4.99 113.62 105.92 3hjb n SER 528 Ca -0.00 -1.92 -0.36 0.00 -0.26 0.00 0.00 58.87 56.32 3hjb n SER 528 Cb 0.40 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3hjb n SER 528 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjb s ALA 529 N -1.61 2.93 0.40 7.33 0.00 -1.26 -4.97 121.76 124.57 3hjb s ALA 529 Ca 0.36 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 3hjb s ALA 529 Cb 0.21 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 3hjb s ALA 529 CO 0.30 -0.60 1.48 0.00 0.00 0.00 0.00 175.76 176.95 3hjb s ALA 530 N -1.63 3.51 -0.14 0.00 0.00 -1.26 -5.01 121.76 117.22 3hjb s ALA 530 Ca 0.65 1.57 -0.02 0.00 0.00 0.00 0.00 51.96 54.15 3hjb s ALA 530 Cb -0.26 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3hjb s ALA 530 CO 0.31 -1.11 -0.07 0.08 0.00 0.00 0.00 175.76 174.97 3hjb s VAL 531 N -1.14 3.62 0.00 0.00 1.01 -1.26 -4.98 120.40 117.65 3hjb s VAL 531 Ca 0.55 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3hjb s VAL 531 Cb -0.46 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3hjb s VAL 531 CO 0.62 0.51 0.68 0.35 0.00 0.00 0.00 175.10 177.26 3hjb n THR 532 N 3.43 0.40 1.69 3.92 -2.24 -1.26 -4.79 114.28 115.43 3hjb n THR 532 Ca -0.18 -0.42 0.15 0.00 -2.27 0.00 0.00 64.05 61.34 3hjb n THR 532 Cb 0.53 0.84 0.80 0.00 -2.10 0.00 0.00 70.33 70.40 3hjb n THR 532 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hjb n SER 533 N -0.20 0.21 -1.43 3.42 3.41 -1.26 -4.88 113.62 112.89 3hjb n SER 533 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 3hjb n SER 533 Cb 0.37 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3hjb n SER 533 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hjb n HIS 534 N -0.97 0.00 -0.94 7.33 8.25 -1.26 -5.10 115.22 122.53 3hjb n HIS 534 Ca 0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.36 3hjb n HIS 534 Cb 0.20 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.49 3hjb n HIS 534 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3hjb s ASP 535 N -0.51 2.54 0.46 0.41 -4.77 -1.26 -4.74 116.67 108.79 3hjb s ASP 535 Ca 0.00 1.55 0.12 0.00 -3.30 0.00 0.00 52.55 50.93 3hjb s ASP 535 Cb 0.00 -2.22 1.05 0.00 -1.09 0.00 0.00 42.92 40.66 3hjb s ASP 535 CO 0.00 -3.23 2.07 0.77 0.70 0.00 0.00 175.17 175.48 3hjb h SER 536 N -1.96 0.17 0.05 2.11 4.64 -1.98 -0.94 113.55 115.64 3hjb h SER 536 Ca -0.53 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3hjb h SER 536 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3hjb h SER 536 CO 0.52 0.18 -0.02 -1.28 -0.87 0.00 0.00 176.83 175.35 3hjb h SER 537 N 0.19 -0.06 -0.51 4.97 0.87 -1.98 0.01 113.55 117.05 3hjb h SER 537 Ca 0.05 -0.52 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 3hjb h SER 537 Cb 0.08 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3hjb h SER 537 CO -0.00 0.51 0.30 0.74 -0.53 0.00 0.00 176.83 177.85 3hjb h THR 538 N -0.66 1.05 -0.26 2.23 2.02 -1.89 0.10 112.91 115.51 3hjb h THR 538 Ca -0.01 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3hjb h THR 538 Cb 0.57 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3hjb h THR 538 CO 0.01 0.11 0.14 0.78 0.37 0.00 0.00 175.52 176.94 3hjb h ASN 539 N 0.60 0.23 -0.72 4.18 2.35 -1.21 -0.95 115.58 120.07 3hjb h ASN 539 Ca 0.20 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3hjb h ASN 539 Cb 0.02 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3hjb h ASN 539 CO -0.09 0.17 0.47 1.23 -1.65 0.00 0.00 177.43 177.56 3hjb h GLY 540 N 0.30 1.02 0.89 2.83 0.00 -0.33 0.25 103.07 108.02 3hjb h GLY 540 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3hjb h GLY 540 CO -0.05 0.35 -0.04 1.41 0.00 0.00 0.00 176.54 178.21 3hjb h LEU 541 N 0.95 0.55 -0.61 3.11 3.38 -0.66 -0.72 115.31 121.31 3hjb h LEU 541 Ca 0.27 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3hjb h LEU 541 Cb -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3hjb h LEU 541 CO -0.07 0.76 0.23 0.40 0.09 0.00 0.00 178.44 179.85 3hjb h ILE 542 N 0.34 1.23 -0.28 1.22 2.04 -0.90 -0.60 117.51 120.55 3hjb h ILE 542 Ca 0.08 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 65.07 3hjb h ILE 542 Cb 0.50 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3hjb h ILE 542 CO 0.02 0.29 -0.33 0.78 0.00 0.00 0.00 178.15 178.91 3hjb h ASN 543 N 0.86 0.64 -0.38 1.72 2.35 -0.89 -1.11 115.58 118.76 3hjb h ASN 543 Ca 0.20 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3hjb h ASN 543 Cb 0.22 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3hjb h ASN 543 CO -0.01 0.92 -0.09 0.00 -1.65 0.00 0.00 177.43 176.59 3hjb h ALA 544 N 1.12 0.98 -0.27 -0.83 0.00 -0.91 -1.63 119.26 117.71 3hjb h ALA 544 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hjb h ALA 544 Cb 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hjb h ALA 544 CO 0.07 0.61 0.18 0.35 0.00 0.00 0.00 179.25 180.45 3hjb h PHE 545 N 0.74 0.35 -0.85 0.00 3.57 -0.72 -0.26 116.94 119.77 3hjb h PHE 545 Ca 0.13 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3hjb h PHE 545 Cb 0.58 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3hjb h PHE 545 CO 0.03 0.23 0.45 0.87 -2.23 0.00 0.00 178.31 177.66 3hjb h LYS 546 N 0.37 1.19 -0.39 1.11 1.57 -0.94 -1.30 116.57 118.18 3hjb h LYS 546 Ca 0.10 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3hjb h LYS 546 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3hjb h LYS 546 CO -0.02 0.88 -0.29 0.00 -0.57 0.00 0.00 179.45 179.45 3hjb h ALA 547 N 1.30 0.75 -0.36 3.86 0.00 -1.07 -2.03 119.26 121.72 3hjb h ALA 547 Ca 0.30 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hjb h ALA 547 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hjb h ALA 547 CO -0.05 0.66 -0.10 0.74 0.00 0.00 0.00 179.25 180.50 3hjb h PHE 548 N 0.71 0.66 -0.08 0.00 0.04 -0.70 -3.10 116.94 114.48 3hjb h PHE 548 Ca 0.08 -0.10 -0.16 0.00 2.80 0.00 0.00 57.97 60.58 3hjb h PHE 548 Cb 0.84 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3hjb h PHE 548 CO 0.05 0.69 -0.66 -0.09 -0.60 0.00 0.00 178.31 177.70 3hjb h ARG 549 N 0.56 0.31 0.00 1.51 2.43 -1.06 -3.51 114.38 114.62 3hjb h ARG 549 Ca 0.10 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hjb h ARG 549 Cb 0.51 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hjb h ARG 549 CO 0.03 0.86 0.00 0.00 -1.51 0.00 0.00 179.97 179.35