#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjf s ASN 2 N 0.00 2.75 -0.02 0.00 0.01 -1.26 -4.67 114.94 111.74 3mjf s ASN 2 Ca 0.00 -0.49 0.08 0.00 -0.71 0.00 0.00 52.86 51.73 3mjf s ASN 2 Cb 0.00 -0.27 -0.02 0.00 0.41 0.00 0.00 41.25 41.37 3mjf s ASN 2 CO 0.00 0.24 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.95 3mjf s ILE 3 N -0.68 1.99 -0.15 0.60 -1.09 0.03 -0.85 121.20 121.05 3mjf s ILE 3 Ca 0.09 -1.07 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 3mjf s ILE 3 Cb -0.09 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 3mjf s ILE 3 CO 0.01 0.56 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.88 3mjf s LEU 4 N -0.53 2.33 -0.21 2.97 2.96 -0.50 -0.70 118.68 124.99 3mjf s LEU 4 Ca 0.08 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3mjf s LEU 4 Cb -0.10 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3mjf s LEU 4 CO -0.00 0.09 0.07 -0.63 -1.32 0.00 0.00 176.35 174.56 3mjf s ILE 5 N 0.77 4.61 -0.24 6.68 -1.09 0.22 -0.67 121.20 131.48 3mjf s ILE 5 Ca -0.07 -0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 3mjf s ILE 5 Cb -0.16 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 3mjf s ILE 5 CO 0.00 0.40 0.17 -0.63 -1.23 0.00 0.00 174.94 173.65 3mjf s ILE 6 N 0.96 5.35 -3.27 2.92 1.01 -0.80 -1.21 121.20 126.17 3mjf s ILE 6 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3mjf s ILE 6 Cb -0.14 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3mjf s ILE 6 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3mjf n GLY 7 N 4.23 0.75 0.18 6.18 0.00 0.26 -2.54 105.19 114.25 3mjf n GLY 7 Ca -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3mjf n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mjf n ASN 8 N 1.96 0.00 -3.48 1.61 2.04 -1.26 -1.58 115.26 114.55 3mjf n ASN 8 Ca 0.00 -1.13 -0.13 0.00 -0.44 0.00 0.00 54.58 52.88 3mjf n ASN 8 Cb 0.00 -0.03 0.06 0.00 -2.53 0.00 0.00 39.78 37.29 3mjf n ASN 8 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3mjf n GLY 9 N 0.00 0.91 0.20 4.83 0.00 -1.26 -4.54 105.19 105.33 3mjf n GLY 9 Ca 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 43.95 3mjf n GLY 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mjf h GLY 10 N -0.27 0.38 0.68 -0.02 0.00 -1.81 -1.66 103.07 100.36 3mjf h GLY 10 Ca -0.18 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 46.84 3mjf h GLY 10 CO 0.20 0.35 0.62 -0.09 0.00 0.00 0.00 176.54 177.62 3mjf h ARG 11 N 0.29 1.06 -0.06 4.80 2.43 -1.87 -1.13 114.38 119.89 3mjf h ARG 11 Ca 0.02 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 3mjf h ARG 11 Cb 0.90 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3mjf h ARG 11 CO 0.07 0.70 -0.82 0.93 -1.51 0.00 0.00 179.97 179.34 3mjf h GLU 12 N 1.09 0.48 -0.24 0.20 3.07 -1.74 0.72 114.58 118.16 3mjf h GLU 12 Ca 0.43 -0.44 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3mjf h GLU 12 Cb 0.24 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3mjf h GLU 12 CO -0.19 1.08 0.11 1.25 -1.40 0.00 0.00 179.01 179.86 3mjf h HIS 13 N 0.31 0.21 -0.46 4.33 2.76 -1.09 -0.81 115.15 120.40 3mjf h HIS 13 Ca -0.06 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3mjf h HIS 13 Cb 1.43 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.31 3mjf h HIS 13 CO 0.06 0.12 0.25 0.00 -1.30 0.00 0.00 177.93 177.06 3mjf h ALA 14 N 1.12 0.59 -0.37 5.26 0.00 -0.95 0.60 119.26 125.52 3mjf h ALA 14 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mjf h ALA 14 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3mjf h ALA 14 CO -0.07 0.12 0.24 -0.07 0.00 0.00 0.00 179.25 179.48 3mjf h LEU 15 N 0.61 0.41 -0.42 0.00 3.38 -0.72 -1.38 115.31 117.18 3mjf h LEU 15 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3mjf h LEU 15 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3mjf h LEU 15 CO -0.03 0.30 0.13 1.23 0.09 0.00 0.00 178.44 180.17 3mjf h GLY 16 N 0.49 0.71 0.82 0.83 0.00 -0.90 0.04 103.07 105.06 3mjf h GLY 16 Ca 0.14 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.08 3mjf h GLY 16 CO -0.04 0.39 0.40 -0.25 0.00 0.00 0.00 176.54 177.05 3mjf h TRP 17 N 0.54 0.75 -0.26 5.60 7.01 -0.78 -0.67 115.95 128.14 3mjf h TRP 17 Ca 0.14 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.07 3mjf h TRP 17 Cb 0.26 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3mjf h TRP 17 CO 0.01 0.41 -0.18 -0.22 -2.79 0.00 0.00 178.44 175.67 3mjf h LYS 18 N 0.78 0.58 -0.87 2.65 1.63 -1.12 -3.11 116.57 117.11 3mjf h LYS 18 Ca 0.27 -0.28 0.09 0.00 -0.85 0.00 0.00 60.65 59.88 3mjf h LYS 18 Cb 0.06 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 3mjf h LYS 18 CO -0.13 0.86 0.57 0.00 -3.45 0.00 0.00 179.45 177.30 3mjf h ALA 19 N 0.71 1.62 0.00 5.00 0.00 -0.55 -1.35 119.26 124.69 3mjf h ALA 19 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mjf h ALA 19 Cb 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mjf h ALA 19 CO 0.05 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3mjf h ALA 20 N 1.55 1.00 0.00 0.00 0.00 -1.06 -1.51 119.26 119.24 3mjf h ALA 20 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3mjf h ALA 20 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mjf h ALA 20 CO -0.16 0.00 -0.05 1.04 0.00 0.00 0.00 179.25 180.08 3mjf n GLN 21 N -2.76 0.14 -2.56 0.00 6.02 -0.51 -4.88 117.38 112.83 3mjf n GLN 21 Ca -0.01 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 3mjf n GLN 21 Cb 0.12 -1.66 -0.04 0.00 1.02 0.00 0.00 30.24 29.68 3mjf n GLN 21 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3mjf s SER 22 N -3.81 7.27 0.18 1.08 0.15 -0.57 -4.91 113.70 113.09 3mjf s SER 22 Ca 0.12 1.93 0.18 0.00 0.70 0.00 0.00 55.95 58.88 3mjf s SER 22 Cb 0.15 -2.59 0.81 0.00 -1.71 0.00 0.00 66.02 62.68 3mjf s SER 22 CO 0.58 -0.28 1.54 -0.81 1.20 0.00 0.00 173.24 175.48 3mjf n PRO 23 N 3.21 0.11 0.00 5.44 -0.04 -1.26 -2.11 135.00 140.35 3mjf n PRO 23 Ca 0.05 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 3mjf n PRO 23 Cb 0.48 -1.76 0.69 0.00 -0.04 0.00 0.00 33.50 32.87 3mjf n PRO 23 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mjf n LEU 24 N -1.97 0.13 -4.63 1.53 4.77 -1.26 -4.76 117.00 110.81 3mjf n LEU 24 Ca 0.01 0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.89 3mjf n LEU 24 Cb 0.14 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3mjf n LEU 24 CO 0.13 0.03 -0.32 0.00 -1.33 0.00 0.00 177.39 175.90 3mjf s ALA 25 N -2.63 3.22 0.00 -1.18 0.00 -0.90 -4.58 121.76 115.69 3mjf s ALA 25 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3mjf s ALA 25 Cb 0.20 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.79 3mjf s ALA 25 CO 0.48 0.46 0.00 -3.47 0.00 0.00 0.00 175.76 173.23 3mjf n ASP 26 N 2.61 0.00 -4.85 0.00 2.03 -1.26 -4.92 116.55 110.16 3mjf n ASP 26 Ca -0.18 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.78 3mjf n ASP 26 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 3mjf n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3mjf s LYS 27 N 0.40 3.94 -0.17 -0.67 1.02 -1.26 -4.97 119.74 118.02 3mjf s LYS 27 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.43 3mjf s LYS 27 Cb 0.00 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3mjf s LYS 27 CO 0.00 0.49 -0.11 0.42 -0.92 0.00 0.00 175.35 175.23 3mjf s ILE 28 N -1.46 1.50 0.08 2.17 1.09 -1.26 -0.79 121.20 122.53 3mjf s ILE 28 Ca 0.37 -0.79 0.04 0.00 -1.10 0.00 0.00 60.65 59.18 3mjf s ILE 28 Cb -0.15 -1.54 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 3mjf s ILE 28 CO 0.19 0.27 0.01 -0.31 -0.10 0.00 0.00 174.94 175.00 3mjf s TYR 29 N 1.48 3.02 -0.10 3.97 2.02 0.12 -1.03 117.35 126.84 3mjf s TYR 29 Ca 0.01 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3mjf s TYR 29 Cb -0.15 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3mjf s TYR 29 CO -0.09 0.48 -0.09 0.08 -1.57 0.00 0.00 175.55 174.37 3mjf s VAL 30 N -1.31 1.02 -0.27 0.71 1.01 -0.37 -0.61 120.40 120.58 3mjf s VAL 30 Ca 0.26 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3mjf s VAL 30 Cb -0.12 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.32 3mjf s VAL 30 CO 0.18 0.35 -0.09 0.00 0.00 0.00 0.00 175.10 175.55 3mjf s ALA 31 N 1.38 2.61 -0.93 5.51 0.00 -0.35 -1.06 121.76 128.92 3mjf s ALA 31 Ca -0.01 -1.84 0.25 0.00 0.00 0.00 0.00 51.96 50.35 3mjf s ALA 31 Cb -0.14 -1.65 0.41 0.00 0.00 0.00 0.00 23.12 21.75 3mjf s ALA 31 CO -0.04 -1.25 1.35 -0.35 0.00 0.00 0.00 175.76 175.46 3mjf n PRO 32 N 4.42 0.05 -0.07 0.00 -0.04 -1.12 -0.57 135.00 137.68 3mjf n PRO 32 Ca -0.12 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 3mjf n PRO 32 Cb 0.42 -1.53 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3mjf n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mjf n GLY 33 N 1.47 -1.74 0.00 0.55 0.00 -0.61 -4.16 105.19 100.69 3mjf n GLY 33 Ca 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3mjf n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mjf n ASN 34 N -0.65 0.00 0.20 1.61 0.23 -1.26 -4.67 115.26 110.71 3mjf n ASN 34 Ca 0.00 -0.83 0.03 0.00 -0.53 0.00 0.00 54.58 53.26 3mjf n ASN 34 Cb 0.03 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.14 3mjf n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mjf h ALA 35 N 1.34 1.48 -0.32 -2.53 0.00 -1.73 -1.55 119.26 115.94 3mjf h ALA 35 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3mjf h ALA 35 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3mjf h ALA 35 CO 0.00 0.39 -0.23 0.78 0.00 0.00 0.00 179.25 180.19 3mjf h GLY 36 N 0.94 0.79 1.87 0.00 0.00 -1.88 -0.58 103.07 104.21 3mjf h GLY 36 Ca -0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 47.33 46.43 3mjf h GLY 36 CO 0.04 0.69 -0.64 -0.91 0.00 0.00 0.00 176.54 175.71 3mjf h THR 37 N 0.49 1.43 -0.20 4.70 1.35 -1.88 -1.25 112.91 117.55 3mjf h THR 37 Ca 0.06 -2.13 0.01 0.00 -0.55 0.00 0.00 66.41 63.81 3mjf h THR 37 Cb 0.78 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 3mjf h THR 37 CO 0.06 0.62 0.10 0.00 -0.25 0.00 0.00 175.52 176.05 3mjf h ALA 38 N 1.25 0.24 -0.07 6.62 0.00 -1.10 -3.03 119.26 123.17 3mjf h ALA 38 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3mjf h ALA 38 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3mjf h ALA 38 CO 0.09 -0.32 -0.38 -0.07 0.00 0.00 0.00 179.25 178.58 3mjf h LEU 39 N 0.21 0.15 -9.39 0.00 3.38 -0.98 -3.43 115.31 105.25 3mjf h LEU 39 Ca 0.08 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 3mjf h LEU 39 Cb 0.02 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.75 3mjf h LEU 39 CO -0.05 0.52 1.17 -0.70 0.09 0.00 0.00 178.44 179.47 3mjf s GLU 40 N -4.19 4.15 0.55 1.13 2.56 -0.48 -4.86 118.70 117.55 3mjf s GLU 40 Ca -0.04 2.54 0.33 0.00 0.00 0.00 0.00 54.97 57.80 3mjf s GLU 40 Cb 0.14 -3.98 1.48 0.00 2.00 0.00 0.00 34.13 33.77 3mjf s GLU 40 CO 0.75 -0.90 2.04 -1.00 -0.56 0.00 0.00 175.26 175.58 3mjf h PRO 41 N 9.87 0.00 -0.01 4.30 0.13 -1.86 -2.85 132.00 141.58 3mjf h PRO 41 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3mjf h PRO 41 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3mjf h PRO 41 CO 0.94 0.06 -0.28 0.25 -0.23 0.00 0.00 178.00 178.75 3mjf n THR 42 N -3.24 0.00 -5.00 1.56 -2.24 -1.26 -4.89 114.28 99.21 3mjf n THR 42 Ca -0.00 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 3mjf n THR 42 Cb 0.28 0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.82 3mjf n THR 42 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mjf s LEU 43 N -2.50 2.30 -0.20 3.22 1.43 -1.08 -4.31 118.68 117.54 3mjf s LEU 43 Ca 0.24 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3mjf s LEU 43 Cb 0.19 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3mjf s LEU 43 CO 0.53 0.29 -0.17 -0.70 0.23 0.00 0.00 176.35 176.53 3mjf s GLU 44 N -0.97 2.91 0.40 1.70 2.12 -0.20 -4.75 118.70 119.91 3mjf s GLU 44 Ca 0.12 -0.89 -0.25 0.00 0.36 0.00 0.00 54.97 54.31 3mjf s GLU 44 Cb -0.10 -2.67 -0.09 0.00 0.26 0.00 0.00 34.13 31.54 3mjf s GLU 44 CO 0.01 -0.27 1.11 -0.80 -0.54 0.00 0.00 175.26 174.78 3mjf s ASN 45 N 1.28 6.63 -0.06 -1.70 0.01 -1.26 -1.24 114.94 118.60 3mjf s ASN 45 Ca 0.03 2.21 0.02 0.00 -0.71 0.00 0.00 52.86 54.41 3mjf s ASN 45 Cb -0.14 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 38.93 3mjf s ASN 45 CO -0.11 -0.59 -0.12 0.68 -1.51 0.00 0.00 177.10 175.46 3mjf s VAL 46 N -1.51 1.09 -1.44 1.60 -7.23 -0.22 -4.87 120.40 107.83 3mjf s VAL 46 Ca 0.57 -0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 60.15 3mjf s VAL 46 Cb -0.27 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.70 3mjf s VAL 46 CO 0.34 0.35 2.22 -0.67 -0.31 0.00 0.00 175.10 177.02 3mjf n ASP 47 N 3.85 3.84 -3.86 4.85 2.03 -1.26 -4.05 116.55 121.95 3mjf n ASP 47 Ca -0.23 -2.83 -0.18 0.00 0.52 0.00 0.00 54.79 52.07 3mjf n ASP 47 Cb 0.52 -1.64 -0.16 0.00 -0.72 0.00 0.00 41.12 39.11 3mjf n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3mjf s ILE 48 N 3.26 0.33 0.54 5.18 1.01 -1.26 -5.07 121.20 125.18 3mjf s ILE 48 Ca 0.47 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.90 3mjf s ILE 48 Cb 0.14 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 3mjf s ILE 48 CO -0.08 0.17 1.21 0.00 0.00 0.00 0.00 174.94 176.24 3mjf s ALA 49 N 0.85 2.73 0.39 9.38 0.00 -1.26 -2.81 121.76 131.03 3mjf s ALA 49 Ca -0.10 1.02 0.34 0.00 0.00 0.00 0.00 51.96 53.23 3mjf s ALA 49 Cb -0.13 -3.44 1.69 0.00 0.00 0.00 0.00 23.12 21.24 3mjf s ALA 49 CO -0.01 -1.01 2.13 0.00 0.00 0.00 0.00 175.76 176.87 3mjf h ALA 50 N 1.35 1.11 -0.60 0.00 0.00 -1.95 -1.72 119.26 117.45 3mjf h ALA 50 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3mjf h ALA 50 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3mjf h ALA 50 CO 0.57 0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.14 3mjf n THR 51 N -3.32 1.58 -3.13 0.00 -2.24 -1.26 -4.38 114.28 101.53 3mjf n THR 51 Ca -0.01 -1.18 -0.45 0.00 -2.27 0.00 0.00 64.05 60.14 3mjf n THR 51 Cb 0.22 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 3mjf n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mjf s ASP 52 N -1.02 6.96 0.13 3.42 2.15 -0.65 -4.88 116.67 122.78 3mjf s ASP 52 Ca 0.46 -2.85 -0.19 0.00 0.43 0.00 0.00 52.55 50.41 3mjf s ASP 52 Cb 0.29 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.57 3mjf s ASP 52 CO 0.24 -0.66 1.76 0.40 -0.17 0.00 0.00 175.17 176.74 3mjf h ILE 53 N 4.72 0.98 -0.73 4.11 2.04 -1.86 -0.38 117.51 126.40 3mjf h ILE 53 Ca 0.19 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3mjf h ILE 53 Cb 0.95 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3mjf h ILE 53 CO 1.03 0.04 0.31 0.00 0.00 0.00 0.00 178.15 179.53 3mjf h ALA 54 N 1.12 0.95 -0.71 1.87 0.00 -1.98 0.69 119.26 121.20 3mjf h ALA 54 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3mjf h ALA 54 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3mjf h ALA 54 CO -0.07 0.56 0.16 0.78 0.00 0.00 0.00 179.25 180.68 3mjf h GLY 55 N 1.05 1.23 0.81 0.00 0.00 -1.86 -0.67 103.07 103.63 3mjf h GLY 55 Ca 0.25 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3mjf h GLY 55 CO -0.02 0.73 0.00 1.41 0.00 0.00 0.00 176.54 178.66 3mjf h LEU 56 N 1.08 0.33 -0.19 3.11 3.38 -0.77 -1.56 115.31 120.69 3mjf h LEU 56 Ca 0.22 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3mjf h LEU 56 Cb 0.39 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3mjf h LEU 56 CO 0.00 0.55 -0.04 -0.07 0.09 0.00 0.00 178.44 178.97 3mjf h LEU 57 N 0.09 -0.16 -0.85 1.67 3.38 -0.77 -0.78 115.31 117.88 3mjf h LEU 57 Ca 0.05 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3mjf h LEU 57 Cb 0.38 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3mjf h LEU 57 CO 0.01 -0.06 0.54 0.00 0.09 0.00 0.00 178.44 179.02 3mjf h ALA 58 N 1.19 1.14 -0.07 1.53 0.00 -1.01 0.28 119.26 122.31 3mjf h ALA 58 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mjf h ALA 58 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3mjf h ALA 58 CO -0.19 0.35 0.04 0.35 0.00 0.00 0.00 179.25 179.80 3mjf h PHE 59 N 1.03 0.10 -0.69 0.00 3.57 -1.06 -1.47 116.94 118.43 3mjf h PHE 59 Ca 0.35 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 3mjf h PHE 59 Cb 0.06 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3mjf h PHE 59 CO -0.03 0.17 0.26 0.00 -2.23 0.00 0.00 178.31 176.49 3mjf h ALA 60 N 0.92 1.17 0.00 2.41 0.00 -0.58 0.20 119.26 123.38 3mjf h ALA 60 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mjf h ALA 60 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3mjf h ALA 60 CO -0.00 0.60 0.00 1.96 0.00 0.00 0.00 179.25 181.80 3mjf h GLN 61 N 1.00 0.00 0.00 0.00 4.20 -0.83 -2.85 115.11 116.63 3mjf h GLN 61 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3mjf h GLN 61 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3mjf h GLN 61 CO -0.02 0.00 -0.95 -1.13 -0.67 0.00 0.00 178.83 176.06 3mjf n SER 62 N -2.71 1.06 -0.31 1.46 3.41 -0.56 -4.53 113.62 111.43 3mjf n SER 62 Ca 0.02 -0.54 0.08 0.00 -0.26 0.00 0.00 58.87 58.18 3mjf n SER 62 Cb 0.34 1.21 0.17 0.00 -0.26 0.00 0.00 64.21 65.67 3mjf n SER 62 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3mjf n HIS 63 N -1.53 0.08 -3.82 7.33 8.25 -0.02 -5.01 115.22 120.50 3mjf n HIS 63 Ca 0.01 -1.17 -0.26 0.00 -0.26 0.00 0.00 57.72 56.04 3mjf n HIS 63 Cb 0.25 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.17 3mjf n HIS 63 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mjf n ASP 64 N -1.28 -1.66 -4.60 0.41 2.03 -1.21 -4.87 116.55 105.37 3mjf n ASP 64 Ca 0.18 -0.96 -0.43 0.00 0.52 0.00 0.00 54.79 54.10 3mjf n ASP 64 Cb 0.68 -3.39 -0.03 0.00 -0.72 0.00 0.00 41.12 37.67 3mjf n ASP 64 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3mjf s ILE 65 N -3.78 4.37 -0.33 5.18 -1.09 -1.08 -3.98 121.20 120.50 3mjf s ILE 65 Ca 0.11 1.22 0.22 0.00 -2.23 0.00 0.00 60.65 59.97 3mjf s ILE 65 Cb -0.04 -4.49 0.18 0.00 -1.58 0.00 0.00 42.46 36.53 3mjf s ILE 65 CO 0.86 -0.80 1.39 1.23 -1.23 0.00 0.00 174.94 176.39 3mjf h GLY 66 N 10.70 0.00 -5.45 6.18 0.00 -1.34 -3.45 103.07 109.72 3mjf h GLY 66 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3mjf h GLY 66 CO 1.07 0.00 -0.22 -2.27 0.00 0.00 0.00 176.54 175.12 3mjf s LEU 67 N -5.98 -0.14 -0.08 3.11 2.96 -1.15 -4.40 118.68 113.00 3mjf s LEU 67 Ca 0.04 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 3mjf s LEU 67 Cb 0.07 1.55 -0.02 0.00 0.50 0.00 0.00 46.19 48.29 3mjf s LEU 67 CO 0.72 -0.19 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.53 3mjf s THR 68 N 1.16 3.08 -0.11 3.68 2.01 -0.49 -1.42 115.64 123.56 3mjf s THR 68 Ca -0.07 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3mjf s THR 68 Cb -0.07 -2.24 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3mjf s THR 68 CO -0.11 0.56 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.57 3mjf s ILE 69 N -0.28 1.76 -0.22 1.82 1.01 0.15 -0.68 121.20 124.76 3mjf s ILE 69 Ca 0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3mjf s ILE 69 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3mjf s ILE 69 CO 0.03 0.49 0.06 -0.69 0.00 0.00 0.00 174.94 174.83 3mjf s VAL 70 N 0.72 4.45 -0.15 2.92 1.01 -1.02 -1.91 120.40 126.42 3mjf s VAL 70 Ca -0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 3mjf s VAL 70 Cb -0.16 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3mjf s VAL 70 CO 0.02 0.39 -0.03 1.23 0.00 0.00 0.00 175.10 176.71 3mjf h GLY 71 N 7.61 0.00 -1.97 4.51 0.00 -1.84 -3.46 103.07 107.92 3mjf h GLY 71 Ca -0.37 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.53 3mjf h GLY 71 CO 0.62 0.00 -0.08 2.56 0.00 0.00 0.00 176.54 179.64 3mjf s PRO 72 N -2.21 2.63 0.10 4.80 0.04 -1.26 -5.03 135.00 134.08 3mjf s PRO 72 Ca -0.17 -0.84 -0.17 0.00 0.04 0.00 0.00 61.00 59.86 3mjf s PRO 72 Cb 0.03 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 3mjf s PRO 72 CO 0.31 -0.60 1.58 1.49 0.04 0.00 0.00 177.00 179.82 3mjf h GLU 73 N 0.20 0.52 -0.48 4.56 4.81 -1.96 -3.35 114.58 118.87 3mjf h GLU 73 Ca -0.42 -0.14 0.09 0.00 -0.13 0.00 0.00 59.36 58.76 3mjf h GLU 73 Cb 1.29 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 3mjf h GLU 73 CO 0.51 0.61 0.02 0.00 -0.73 0.00 0.00 179.01 179.42 3mjf h ALA 74 N 0.88 0.46 0.00 2.92 0.00 -1.96 -1.20 119.26 120.37 3mjf h ALA 74 Ca 0.09 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3mjf h ALA 74 Cb 0.35 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3mjf h ALA 74 CO 0.01 -0.38 -0.38 -1.00 0.00 0.00 0.00 179.25 177.50 3mjf h PRO 75 N 0.13 0.00 -0.24 0.00 0.13 -1.76 -3.12 132.00 127.13 3mjf h PRO 75 Ca 0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.29 3mjf h PRO 75 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3mjf h PRO 75 CO -0.39 0.38 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.54 3mjf h LEU 76 N 0.00 0.55 -0.19 1.56 3.38 -1.39 -1.87 115.31 117.35 3mjf h LEU 76 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3mjf h LEU 76 Cb 0.68 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3mjf h LEU 76 CO 0.05 0.86 0.00 1.33 0.09 0.00 0.00 178.44 180.77 3mjf n VAL 77 N -4.46 0.79 0.11 1.22 0.24 -0.70 -1.64 118.33 113.89 3mjf n VAL 77 Ca -0.04 0.17 0.10 0.00 -2.04 0.00 0.00 64.34 62.53 3mjf n VAL 77 Cb 0.37 -0.95 0.19 0.00 -1.47 0.00 0.00 33.84 31.98 3mjf n VAL 77 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3mjf n ILE 78 N -1.76 0.62 -1.79 1.34 -5.35 -1.17 -4.90 119.36 106.36 3mjf n ILE 78 Ca 0.04 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 3mjf n ILE 78 Cb 0.23 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 3mjf n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mjf n GLY 79 N 1.18 0.88 0.36 3.28 0.00 -0.65 -4.97 105.19 105.26 3mjf n GLY 79 Ca 0.17 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.66 3mjf n GLY 79 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3mjf h VAL 80 N 0.00 1.01 -0.42 1.61 3.04 -1.54 -1.84 116.25 118.12 3mjf h VAL 80 Ca 0.00 -0.31 -0.07 0.00 -1.01 0.00 0.00 66.70 65.32 3mjf h VAL 80 Cb 0.78 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 3mjf h VAL 80 CO 0.00 0.16 -0.01 0.58 -1.01 0.00 0.00 177.57 177.29 3mjf h VAL 81 N 0.89 1.26 -0.61 1.51 2.07 -1.82 -0.86 116.25 118.69 3mjf h VAL 81 Ca 0.38 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3mjf h VAL 81 Cb 0.31 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3mjf h VAL 81 CO -0.15 0.35 0.38 0.44 0.02 0.00 0.00 177.57 178.62 3mjf h ASP 82 N 0.57 0.63 -0.22 0.57 3.45 -1.77 0.00 116.42 119.66 3mjf h ASP 82 Ca 0.12 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 3mjf h ASP 82 Cb 0.50 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3mjf h ASP 82 CO 0.02 0.44 0.04 0.00 -1.57 0.00 0.00 179.24 178.18 3mjf h ALA 83 N 1.26 0.30 -0.46 3.45 0.00 -1.08 -0.94 119.26 121.77 3mjf h ALA 83 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mjf h ALA 83 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mjf h ALA 83 CO -0.09 -0.04 0.19 0.74 0.00 0.00 0.00 179.25 180.05 3mjf h PHE 84 N 0.17 0.71 -0.21 0.00 -1.00 -0.84 -2.70 116.94 113.07 3mjf h PHE 84 Ca 0.07 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 3mjf h PHE 84 Cb 0.30 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 3mjf h PHE 84 CO 0.02 0.60 -0.26 0.00 -1.61 0.00 0.00 178.31 177.06 3mjf h ARG 85 N 0.61 0.40 0.00 1.51 3.08 -0.89 -0.99 114.38 118.10 3mjf h ARG 85 Ca 0.16 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3mjf h ARG 85 Cb 0.19 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3mjf h ARG 85 CO -0.01 0.64 -0.12 0.00 -1.07 0.00 0.00 179.97 179.40 3mjf h ALA 86 N 1.37 1.69 -0.19 0.04 0.00 -0.97 -1.14 119.26 120.07 3mjf h ALA 86 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mjf h ALA 86 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3mjf h ALA 86 CO 0.05 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3mjf n ALA 87 N -2.47 2.51 -0.89 0.00 0.00 -0.80 -4.95 120.51 113.91 3mjf n ALA 87 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3mjf n ALA 87 Cb 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3mjf n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mjf n GLY 88 N 1.20 0.50 3.87 0.00 0.00 -0.43 -5.03 105.19 105.29 3mjf n GLY 88 Ca 0.17 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3mjf n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mjf s LEU 89 N 0.00 4.41 -0.09 0.99 1.43 -0.44 -5.00 118.68 119.97 3mjf s LEU 89 Ca 0.00 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3mjf s LEU 89 Cb 0.00 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 3mjf s LEU 89 CO 0.00 0.36 1.01 0.00 0.23 0.00 0.00 176.35 177.95 3mjf s ALA 90 N -1.09 3.39 -0.10 4.21 0.00 -1.26 -4.03 121.76 122.88 3mjf s ALA 90 Ca 0.19 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 3mjf s ALA 90 Cb -0.13 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3mjf s ALA 90 CO 0.09 -0.58 0.22 -1.50 0.00 0.00 0.00 175.76 173.99 3mjf s ILE 91 N 1.94 -0.08 -0.48 0.00 2.07 -1.26 -1.40 121.20 121.99 3mjf s ILE 91 Ca 0.49 0.17 -0.15 0.00 -1.41 0.00 0.00 60.65 59.75 3mjf s ILE 91 Cb -0.19 -0.35 0.09 0.00 0.13 0.00 0.00 42.46 42.13 3mjf s ILE 91 CO 0.19 0.07 0.41 0.12 -1.91 0.00 0.00 174.94 173.82 3mjf s PHE 92 N 1.36 3.26 0.00 3.50 5.36 0.14 -4.86 117.98 126.74 3mjf s PHE 92 Ca -0.08 -1.06 0.00 0.00 -0.96 0.00 0.00 56.93 54.82 3mjf s PHE 92 Cb -0.11 -3.29 0.00 0.00 -0.34 0.00 0.00 43.02 39.28 3mjf s PHE 92 CO -0.08 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.24 3mjf n GLY 93 N 5.19 1.37 3.81 13.12 0.00 -1.26 -2.43 105.19 124.99 3mjf n GLY 93 Ca -0.13 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 3mjf n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mjf s PRO 94 N -2.00 4.30 1.01 1.61 0.04 0.04 -4.19 135.00 135.82 3mjf s PRO 94 Ca 0.00 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 3mjf s PRO 94 Cb 0.00 -2.49 0.20 0.00 0.04 0.00 0.00 34.50 32.25 3mjf s PRO 94 CO 0.00 0.14 1.09 0.25 0.04 0.00 0.00 177.00 178.52 3mjf n THR 95 N -0.07 0.00 -0.26 1.26 -2.24 -1.26 -4.55 114.28 107.15 3mjf n THR 95 Ca 0.04 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3mjf n THR 95 Cb 0.52 -0.99 0.18 0.00 -2.10 0.00 0.00 70.33 67.94 3mjf n THR 95 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3mjf h GLN 96 N -2.19 0.46 -0.41 -0.78 4.15 -1.90 0.28 115.11 114.71 3mjf h GLN 96 Ca -0.50 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 58.86 3mjf h GLN 96 Cb 1.29 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 3mjf h GLN 96 CO 0.44 0.30 0.13 0.00 -1.93 0.00 0.00 178.83 177.78 3mjf h ALA 97 N 1.53 0.54 -0.12 3.38 0.00 -1.91 -2.75 119.26 119.93 3mjf h ALA 97 Ca 0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3mjf h ALA 97 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3mjf h ALA 97 CO -0.39 0.18 -0.34 0.00 0.00 0.00 0.00 179.25 178.71 3mjf h ALA 98 N 0.98 1.20 0.00 0.00 0.00 -1.68 -2.99 119.26 116.77 3mjf h ALA 98 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mjf h ALA 98 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mjf h ALA 98 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3mjf n ALA 99 N -2.48 1.43 0.18 0.00 0.00 0.93 -2.20 120.51 118.37 3mjf n ALA 99 Ca -0.01 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.64 3mjf n ALA 99 Cb 0.43 -1.29 0.72 0.00 0.00 0.00 0.00 19.45 19.31 3mjf n ALA 99 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3mjf h GLN 100 N 0.00 0.00 -0.14 0.00 4.20 -1.41 0.51 115.11 118.28 3mjf h GLN 100 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3mjf h GLN 100 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3mjf h GLN 100 CO 0.00 0.00 -0.23 1.25 -0.67 0.00 0.00 178.83 179.18 3mjf h LEU 101 N 0.00 0.23 0.00 1.46 5.85 -1.68 -1.60 115.31 119.58 3mjf h LEU 101 Ca 0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mjf h LEU 101 Cb 0.37 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3mjf h LEU 101 CO -0.00 0.48 -1.52 -0.62 -0.34 0.00 0.00 178.44 176.43 3mjf n GLU 102 N -4.18 0.51 0.00 1.25 4.71 -0.71 -4.47 120.64 117.75 3mjf n GLU 102 Ca -0.01 -0.11 0.05 0.00 -0.01 0.00 0.00 57.16 57.08 3mjf n GLU 102 Cb 0.35 -1.48 -0.12 0.00 -1.01 0.00 0.00 31.44 29.19 3mjf n GLU 102 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mjf n GLY 103 N 1.39 -1.13 3.03 0.62 0.00 0.09 -4.44 105.19 104.74 3mjf n GLY 103 Ca -0.01 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3mjf n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mjf s SER 104 N -5.13 3.29 0.18 1.61 0.15 -0.61 -5.00 113.70 108.19 3mjf s SER 104 Ca -0.06 -0.81 -0.10 0.00 0.70 0.00 0.00 55.95 55.68 3mjf s SER 104 Cb 0.11 -1.29 0.09 0.00 -1.71 0.00 0.00 66.02 63.21 3mjf s SER 104 CO 0.85 -0.11 1.71 0.50 1.20 0.00 0.00 173.24 177.40 3mjf h LYS 105 N 7.97 1.00 -0.42 5.44 3.64 -1.90 -2.40 116.57 129.90 3mjf h LYS 105 Ca -0.32 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 3mjf h LYS 105 Cb 1.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3mjf h LYS 105 CO 0.51 0.88 0.22 0.00 -2.27 0.00 0.00 179.45 178.79 3mjf h ALA 106 N 1.07 0.54 -0.51 5.00 0.00 -1.94 -0.24 119.26 123.18 3mjf h ALA 106 Ca 0.21 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3mjf h ALA 106 Cb 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3mjf h ALA 106 CO -0.01 0.08 0.23 0.35 0.00 0.00 0.00 179.25 179.91 3mjf h PHE 107 N 0.54 0.42 -0.24 0.00 3.57 -1.84 -1.98 116.94 117.41 3mjf h PHE 107 Ca 0.15 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 3mjf h PHE 107 Cb 0.09 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3mjf h PHE 107 CO -0.02 0.18 -0.56 1.15 -2.23 0.00 0.00 178.31 176.84 3mjf h THR 108 N 0.45 1.29 -0.57 4.41 2.02 -1.09 -0.56 112.91 118.86 3mjf h THR 108 Ca 0.23 -1.77 0.07 0.00 0.77 0.00 0.00 66.41 65.71 3mjf h THR 108 Cb 0.19 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3mjf h THR 108 CO -0.19 0.57 0.26 0.11 0.37 0.00 0.00 175.52 176.64 3mjf h LYS 109 N 0.56 0.48 -0.57 6.66 1.57 -0.77 0.87 116.57 125.37 3mjf h LYS 109 Ca 0.01 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3mjf h LYS 109 Cb 1.14 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3mjf h LYS 109 CO 0.12 0.32 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.87 3mjf h ASP 110 N 0.49 0.98 -0.20 0.86 3.32 -1.14 -2.18 116.42 118.56 3mjf h ASP 110 Ca 0.27 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3mjf h ASP 110 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3mjf h ASP 110 CO -0.22 1.05 0.11 0.15 -1.72 0.00 0.00 179.24 178.61 3mjf h PHE 111 N 0.89 0.28 -0.98 4.55 3.57 -0.50 -1.05 116.94 123.71 3mjf h PHE 111 Ca 0.16 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3mjf h PHE 111 Cb 0.55 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3mjf h PHE 111 CO 0.04 0.27 0.64 -0.07 -2.23 0.00 0.00 178.31 176.96 3mjf h LEU 112 N 0.21 1.09 -0.08 0.59 3.38 -0.78 -2.07 115.31 117.66 3mjf h LEU 112 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3mjf h LEU 112 Cb 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3mjf h LEU 112 CO -0.01 0.77 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 3mjf h ALA 113 N 1.41 0.11 0.00 1.53 0.00 -1.03 -1.24 119.26 120.05 3mjf h ALA 113 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3mjf h ALA 113 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mjf h ALA 113 CO -0.10 -0.19 0.00 0.07 0.00 0.00 0.00 179.25 179.03 3mjf h ARG 114 N -0.16 0.00 -0.34 0.00 0.11 -0.96 -2.43 114.38 110.60 3mjf h ARG 114 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3mjf h ARG 114 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3mjf h ARG 114 CO 0.01 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.80 3mjf n HIS 115 N -2.98 0.43 -3.84 4.08 8.25 -0.80 -4.98 115.22 115.39 3mjf n HIS 115 Ca 0.01 -0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 56.96 3mjf n HIS 115 Cb 0.32 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.47 3mjf n HIS 115 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mjf n ASN 116 N 1.42 -5.23 -4.74 0.41 5.15 -0.61 -4.95 115.26 106.72 3mjf n ASN 116 Ca 0.18 -0.72 -0.39 0.00 -0.60 0.00 0.00 54.58 53.05 3mjf n ASN 116 Cb 0.59 -4.15 -0.05 0.00 -0.53 0.00 0.00 39.78 35.63 3mjf n ASN 116 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mjf s ILE 117 N -3.30 5.05 0.25 -1.44 1.01 -0.57 -5.00 121.20 117.21 3mjf s ILE 117 Ca 0.65 1.19 -0.31 0.00 0.00 0.00 0.00 60.65 62.19 3mjf s ILE 117 Cb -0.32 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.13 3mjf s ILE 117 CO 0.80 0.34 1.59 -2.16 0.00 0.00 0.00 174.94 175.51 3mjf s PRO 118 N 0.35 4.16 0.01 2.79 0.04 -1.26 -4.76 135.00 136.33 3mjf s PRO 118 Ca 0.31 2.51 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 3mjf s PRO 118 Cb -0.17 -3.06 0.10 0.00 0.04 0.00 0.00 34.50 31.41 3mjf s PRO 118 CO 0.15 -0.61 1.25 -1.54 0.04 0.00 0.00 177.00 176.29 3mjf s SER 119 N 0.67 -0.03 0.06 6.66 1.04 -1.26 -0.74 113.70 120.10 3mjf s SER 119 Ca 0.65 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.55 3mjf s SER 119 Cb -0.47 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 3mjf s SER 119 CO 0.42 -0.39 1.17 0.00 0.98 0.00 0.00 173.24 175.43 3mjf s ALA 120 N -2.24 3.37 0.49 5.32 0.00 -1.26 -4.93 121.76 122.50 3mjf s ALA 120 Ca 0.22 0.82 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 3mjf s ALA 120 Cb 0.02 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3mjf s ALA 120 CO -0.01 -0.40 1.18 -1.21 0.00 0.00 0.00 175.76 175.31 3mjf s GLU 121 N 0.99 3.58 0.13 0.00 2.02 -1.26 -4.81 118.70 119.35 3mjf s GLU 121 Ca 0.58 1.80 -0.17 0.00 0.02 0.00 0.00 54.97 57.19 3mjf s GLU 121 Cb -0.29 -2.30 0.04 0.00 0.10 0.00 0.00 34.13 31.69 3mjf s GLU 121 CO 0.29 -0.70 0.42 1.52 0.02 0.00 0.00 175.26 176.81 3mjf s TYR 122 N -1.56 -0.24 -0.11 1.61 -0.85 -1.26 -0.61 117.35 114.32 3mjf s TYR 122 Ca 0.67 -0.05 -0.15 0.00 -0.52 0.00 0.00 57.07 57.01 3mjf s TYR 122 Cb -0.29 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.38 3mjf s TYR 122 CO 0.35 -0.72 0.39 -0.65 -1.52 0.00 0.00 175.55 173.41 3mjf s GLN 123 N -3.76 0.55 0.08 -3.49 -1.52 -0.37 -5.01 119.66 106.14 3mjf s GLN 123 Ca 0.02 0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 53.75 3mjf s GLN 123 Cb 0.01 0.26 -0.05 0.00 -0.22 0.00 0.00 33.01 33.02 3mjf s GLN 123 CO -0.12 -0.10 0.30 -0.80 -0.25 0.00 0.00 175.29 174.32 3mjf s ASN 124 N -0.25 6.47 -0.04 5.90 0.01 -1.26 -0.91 114.94 124.86 3mjf s ASN 124 Ca -0.04 0.52 -0.06 0.00 -0.71 0.00 0.00 52.86 52.57 3mjf s ASN 124 Cb -0.03 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.57 3mjf s ASN 124 CO 0.02 0.15 0.16 -0.36 -1.51 0.00 0.00 177.10 175.56 3mjf s PHE 125 N -1.49 -0.12 -0.09 2.20 0.08 0.09 -4.98 117.98 113.67 3mjf s PHE 125 Ca 0.35 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.73 3mjf s PHE 125 Cb -0.13 0.03 -0.09 0.00 -0.57 0.00 0.00 43.02 42.26 3mjf s PHE 125 CO 0.22 -0.15 0.18 0.25 -0.10 0.00 0.00 175.22 175.62 3mjf n THR 126 N 2.53 0.00 -3.47 0.64 -2.24 -1.26 -0.93 114.28 109.55 3mjf n THR 126 Ca -0.16 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.03 3mjf n THR 126 Cb 0.58 0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 3mjf n THR 126 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mjf s ASP 127 N -2.44 6.15 0.34 3.42 2.15 -1.26 -4.89 116.67 120.15 3mjf s ASP 127 Ca -0.01 0.13 0.07 0.00 0.43 0.00 0.00 52.55 53.17 3mjf s ASP 127 Cb 0.04 -2.17 0.62 0.00 -0.30 0.00 0.00 42.92 41.11 3mjf s ASP 127 CO 0.27 -0.14 1.83 1.62 -0.17 0.00 0.00 175.17 178.58 3mjf h VAL 128 N 5.39 1.22 -0.20 1.11 3.04 -1.94 -1.32 116.25 123.56 3mjf h VAL 128 Ca -0.33 -1.02 -0.20 0.00 -1.01 0.00 0.00 66.70 64.14 3mjf h VAL 128 Cb 1.17 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3mjf h VAL 128 CO 0.61 0.32 -0.68 -0.33 -1.01 0.00 0.00 177.57 176.48 3mjf h GLU 129 N 0.30 0.77 -0.78 4.17 4.39 -1.99 -0.46 114.58 120.98 3mjf h GLU 129 Ca 0.05 -0.57 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 3mjf h GLU 129 Cb 0.51 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3mjf h GLU 129 CO 0.03 1.19 0.31 0.00 -1.16 0.00 0.00 179.01 179.38 3mjf h ALA 130 N 0.67 1.07 -0.35 3.43 0.00 -1.92 -1.57 119.26 120.59 3mjf h ALA 130 Ca -0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3mjf h ALA 130 Cb 1.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3mjf h ALA 130 CO 0.14 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.98 3mjf h ALA 131 N 1.20 0.48 -0.71 0.00 0.00 -1.07 -1.33 119.26 117.84 3mjf h ALA 131 Ca 0.26 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3mjf h ALA 131 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3mjf h ALA 131 CO -0.02 0.31 0.19 -0.07 0.00 0.00 0.00 179.25 179.66 3mjf h LEU 132 N 0.46 1.06 -1.01 0.00 3.38 -0.96 -0.62 115.31 117.62 3mjf h LEU 132 Ca 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3mjf h LEU 132 Cb 0.56 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3mjf h LEU 132 CO 0.03 1.01 0.34 0.00 0.09 0.00 0.00 178.44 179.91 3mjf h ALA 133 N 1.09 1.22 -0.18 1.53 0.00 -1.05 0.31 119.26 122.19 3mjf h ALA 133 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3mjf h ALA 133 Cb 0.35 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mjf h ALA 133 CO -0.00 0.59 -0.09 -0.92 0.00 0.00 0.00 179.25 178.83 3mjf h TYR 134 N 1.04 0.43 0.00 0.00 3.20 -0.80 -1.00 116.97 119.84 3mjf h TYR 134 Ca 0.25 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3mjf h TYR 134 Cb 0.12 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3mjf h TYR 134 CO 0.01 0.68 -0.25 -0.39 -1.64 0.00 0.00 178.16 176.58 3mjf h VAL 135 N 0.05 0.69 -0.37 1.81 -1.51 -0.93 -0.87 116.25 115.12 3mjf h VAL 135 Ca 0.04 -1.08 -0.16 0.00 -1.23 0.00 0.00 66.70 64.27 3mjf h VAL 135 Cb 0.57 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 3mjf h VAL 135 CO 0.03 0.24 -0.38 0.03 -1.23 0.00 0.00 177.57 176.25 3mjf h ARG 136 N 0.00 0.89 -0.12 5.19 3.08 -0.83 0.46 114.38 123.04 3mjf h ARG 136 Ca -0.00 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 3mjf h ARG 136 Cb 0.67 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3mjf h ARG 136 CO 0.03 1.11 -0.02 0.37 -1.07 0.00 0.00 179.97 180.39 3mjf h GLN 137 N 0.73 0.23 -0.08 0.04 4.15 -0.73 -3.31 115.11 116.14 3mjf h GLN 137 Ca 0.06 -0.08 -0.22 0.00 0.77 0.00 0.00 58.65 59.18 3mjf h GLN 137 Cb 0.97 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3mjf h GLN 137 CO 0.09 0.52 -0.83 0.87 -1.93 0.00 0.00 178.83 177.55 3mjf h LYS 138 N -0.09 0.57 -0.66 1.69 1.79 -1.22 -3.50 116.57 115.15 3mjf h LYS 138 Ca 0.03 -0.51 0.07 0.00 -2.18 0.00 0.00 60.65 58.06 3mjf h LYS 138 Cb 0.43 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 3mjf h LYS 138 CO 0.01 1.14 -0.19 0.41 -1.08 0.00 0.00 179.45 179.73 3mjf n GLY 139 N 0.75 -2.23 3.90 3.86 0.00 0.15 -4.93 105.19 106.69 3mjf n GLY 139 Ca -0.07 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 3mjf n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjf s ALA 140 N -2.47 3.30 0.61 4.61 0.00 -1.26 -4.42 121.76 122.13 3mjf s ALA 140 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 3mjf s ALA 140 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 3mjf s ALA 140 CO 0.00 -0.50 1.05 -2.14 0.00 0.00 0.00 175.76 174.17 3mjf s PRO 141 N -4.90 3.31 0.07 0.00 0.02 -1.26 -4.95 135.00 127.28 3mjf s PRO 141 Ca 0.50 1.07 -0.26 0.00 0.02 0.00 0.00 61.00 62.34 3mjf s PRO 141 Cb -0.11 -2.04 0.08 0.00 0.02 0.00 0.00 34.50 32.46 3mjf s PRO 141 CO 0.48 -0.81 0.69 -1.50 -0.33 0.00 0.00 177.00 175.53 3mjf s ILE 142 N -2.69 0.00 -0.09 2.83 2.07 -0.52 -4.39 121.20 118.42 3mjf s ILE 142 Ca 0.61 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.86 3mjf s ILE 142 Cb -0.14 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.42 3mjf s ILE 142 CO 0.42 0.00 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.66 3mjf s VAL 143 N -3.01 3.36 -0.08 4.00 1.01 0.11 -0.86 120.40 124.94 3mjf s VAL 143 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3mjf s VAL 143 Cb -0.01 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3mjf s VAL 143 CO -0.07 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 174.81 3mjf s ILE 144 N -0.37 1.41 0.00 2.22 -1.09 -0.09 -0.79 121.20 122.49 3mjf s ILE 144 Ca 0.04 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 57.87 3mjf s ILE 144 Cb -0.12 -1.26 -0.01 0.00 -1.58 0.00 0.00 42.46 39.48 3mjf s ILE 144 CO 0.02 0.42 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.47 3mjf s LYS 145 N 0.61 1.08 0.04 2.79 1.02 -0.16 -0.54 119.74 124.59 3mjf s LYS 145 Ca -0.15 -0.56 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 3mjf s LYS 145 Cb -0.16 -1.06 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 3mjf s LYS 145 CO 0.05 0.28 0.17 0.00 -0.92 0.00 0.00 175.35 174.93 3mjf s ALA 146 N -0.46 -0.27 0.15 5.17 0.00 -0.40 -1.51 121.76 124.45 3mjf s ALA 146 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3mjf s ALA 146 Cb -0.06 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3mjf s ALA 146 CO -0.00 -0.36 0.26 -0.51 0.00 0.00 0.00 175.76 175.15 3mjf s ASP 147 N -2.13 6.19 0.00 0.00 1.01 -1.26 -4.58 116.67 115.90 3mjf s ASP 147 Ca -0.05 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.33 3mjf s ASP 147 Cb -0.01 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 42.10 3mjf s ASP 147 CO -0.04 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.00 3mjf n GLY 148 N -0.52 0.47 3.98 0.21 0.00 -1.26 -4.94 105.19 103.12 3mjf n GLY 148 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3mjf n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mjf s LEU 149 N 0.00 3.04 0.86 0.99 1.43 -1.26 -5.07 118.68 118.66 3mjf s LEU 149 Ca 0.00 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 3mjf s LEU 149 Cb 0.00 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 44.01 3mjf s LEU 149 CO 0.00 -1.67 1.09 0.00 0.23 0.00 0.00 176.35 176.01 3mjf s ALA 150 N -3.06 1.73 0.15 4.21 0.00 -1.26 -4.82 121.76 118.71 3mjf s ALA 150 Ca 0.64 0.06 -0.32 0.00 0.00 0.00 0.00 51.96 52.33 3mjf s ALA 150 Cb -0.07 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 3mjf s ALA 150 CO 0.43 -2.21 1.74 0.00 0.00 0.00 0.00 175.76 175.72 3mjf n ALA 151 N -3.80 2.17 -0.47 0.00 0.00 -1.26 -1.38 120.51 115.77 3mjf n ALA 151 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3mjf n ALA 151 Cb 0.54 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3mjf n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mjf n GLY 152 N 3.96 0.94 0.17 0.00 0.00 -1.26 -4.87 105.19 104.13 3mjf n GLY 152 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3mjf n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mjf n LYS 153 N -2.00 0.27 0.00 1.61 4.76 -0.48 -4.66 118.16 117.66 3mjf n LYS 153 Ca 0.00 -0.93 0.13 0.00 -2.87 0.00 0.00 58.31 54.63 3mjf n LYS 153 Cb 0.00 -1.08 0.42 0.00 -1.84 0.00 0.00 35.03 32.53 3mjf n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mjf n GLY 154 N 0.13 -1.29 2.86 0.72 0.00 -1.25 -4.75 105.19 101.62 3mjf n GLY 154 Ca 0.03 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3mjf n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mjf s VAL 155 N -2.94 0.70 -0.22 1.61 1.01 -1.26 -1.27 120.40 118.04 3mjf s VAL 155 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3mjf s VAL 155 Cb 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3mjf s VAL 155 CO 0.61 0.30 -0.07 -0.63 0.00 0.00 0.00 175.10 175.31 3mjf s ILE 156 N 1.60 3.05 -0.63 2.22 1.01 0.30 -4.99 121.20 123.76 3mjf s ILE 156 Ca 0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 3mjf s ILE 156 Cb -0.13 -2.40 0.10 0.00 0.01 0.00 0.00 42.46 40.04 3mjf s ILE 156 CO -0.05 0.40 0.80 -0.69 0.00 0.00 0.00 174.94 175.41 3mjf s VAL 157 N 1.42 4.67 0.72 2.92 1.01 -1.26 -0.91 120.40 128.96 3mjf s VAL 157 Ca 0.05 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 3mjf s VAL 157 Cb -0.14 -4.56 0.06 0.00 0.00 0.00 0.00 36.38 31.73 3mjf s VAL 157 CO -0.05 -1.25 1.04 0.00 0.00 0.00 0.00 175.10 174.84 3mjf s ALA 158 N 3.09 3.07 0.00 5.51 0.00 -0.04 -4.95 121.76 128.44 3mjf s ALA 158 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3mjf s ALA 158 Cb -0.21 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3mjf s ALA 158 CO 0.07 -1.33 0.00 0.25 0.00 0.00 0.00 175.76 174.75 3mjf n THR 160 N -2.97 0.00 -0.17 0.00 -2.24 -1.26 -1.44 114.28 106.20 3mjf n THR 160 Ca 0.08 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 3mjf n THR 160 Cb 0.60 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.85 3mjf n THR 160 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3mjf h GLN 161 N 0.00 0.70 -0.81 -0.78 4.15 -1.96 -1.92 115.11 114.48 3mjf h GLN 161 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 3mjf h GLN 161 Cb 0.00 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 3mjf h GLN 161 CO 0.00 0.55 0.42 1.49 -1.93 0.00 0.00 178.83 179.37 3mjf h GLU 162 N 0.67 1.15 -0.70 1.69 4.81 -2.00 -0.79 114.58 119.41 3mjf h GLU 162 Ca 0.18 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mjf h GLU 162 Cb 0.06 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3mjf h GLU 162 CO -0.03 0.87 0.41 0.93 -0.73 0.00 0.00 179.01 180.46 3mjf h GLU 163 N 1.14 0.95 -0.32 1.92 5.08 -1.83 0.20 114.58 121.72 3mjf h GLU 163 Ca 0.28 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3mjf h GLU 163 Cb 0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3mjf h GLU 163 CO -0.04 0.67 -0.11 0.00 -1.00 0.00 0.00 179.01 178.54 3mjf h ALA 164 N 1.49 0.45 -0.61 3.43 0.00 -0.74 -1.40 119.26 121.88 3mjf h ALA 164 Ca 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3mjf h ALA 164 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3mjf h ALA 164 CO -0.05 0.31 0.09 0.93 0.00 0.00 0.00 179.25 180.54 3mjf h GLU 165 N 0.42 1.01 -0.53 0.00 5.08 -0.91 -1.67 114.58 117.98 3mjf h GLU 165 Ca 0.08 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3mjf h GLU 165 Cb 0.62 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3mjf h GLU 165 CO 0.04 0.95 0.26 1.15 -1.00 0.00 0.00 179.01 180.40 3mjf h THR 166 N 0.91 1.20 -0.26 1.13 2.02 -0.91 -0.27 112.91 116.72 3mjf h THR 166 Ca 0.18 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3mjf h THR 166 Cb 0.43 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3mjf h THR 166 CO 0.01 0.22 0.17 0.00 0.37 0.00 0.00 175.52 176.30 3mjf h ALA 167 N 1.09 0.34 -0.02 6.16 0.00 -0.94 0.55 119.26 126.44 3mjf h ALA 167 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3mjf h ALA 167 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3mjf h ALA 167 CO -0.02 -0.18 0.01 0.28 0.00 0.00 0.00 179.25 179.34 3mjf h VAL 168 N 0.35 1.05 -0.69 0.00 2.07 -1.15 -3.05 116.25 114.83 3mjf h VAL 168 Ca 0.10 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3mjf h VAL 168 Cb -0.02 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3mjf h VAL 168 CO -0.02 0.04 0.31 0.78 0.02 0.00 0.00 177.57 178.71 3mjf h ASN 169 N -0.03 0.93 0.00 0.57 -0.26 -0.89 -1.87 115.58 114.03 3mjf h ASN 169 Ca 0.01 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 3mjf h ASN 169 Cb 0.06 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 3mjf h ASN 169 CO -0.00 0.82 0.00 0.47 -1.06 0.00 0.00 177.43 177.65 3mjf n ASP 170 N -4.42 0.87 0.00 5.81 8.00 0.17 -1.89 116.55 125.09 3mjf n ASP 170 Ca 0.05 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3mjf n ASP 170 Cb 0.15 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3mjf n ASP 170 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3mjf n LEU 172 N 0.44 0.00 -4.68 0.64 4.77 -0.70 -4.98 117.00 112.49 3mjf n LEU 172 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 3mjf n LEU 172 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3mjf n LEU 172 CO 0.00 0.00 1.16 0.00 -1.33 0.00 0.00 177.39 177.22 3mjf n ALA 173 N 0.00 1.43 0.00 -1.18 0.00 -0.79 -2.05 120.51 117.92 3mjf n ALA 173 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3mjf n ALA 173 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 3mjf n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mjf n GLY 174 N 3.07 2.38 0.24 0.00 0.00 -1.26 -4.93 105.19 104.69 3mjf n GLY 174 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 3mjf n GLY 174 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mjf h ASN 175 N 0.00 0.76 0.75 1.61 4.21 -1.76 -1.75 115.58 119.40 3mjf h ASN 175 Ca 0.00 -0.36 -0.04 0.00 1.21 0.00 0.00 56.30 57.11 3mjf h ASN 175 Cb 0.00 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 36.99 3mjf h ASN 175 CO 0.00 1.09 -0.36 0.00 -1.29 0.00 0.00 177.43 176.87 3mjf h ALA 176 N 0.94 -1.13 0.06 -0.83 0.00 -1.90 -2.39 119.26 114.00 3mjf h ALA 176 Ca 0.04 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 3mjf h ALA 176 Cb 0.98 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3mjf h ALA 176 CO 0.09 -1.06 -1.51 0.74 0.00 0.00 0.00 179.25 177.52 3mjf h PHE 177 N -1.13 0.21 -0.03 0.00 -1.00 -1.98 -3.41 116.94 109.61 3mjf h PHE 177 Ca -0.10 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.52 3mjf h PHE 177 Cb 0.77 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3mjf h PHE 177 CO 0.03 1.21 0.00 0.41 -1.61 0.00 0.00 178.31 178.34 3mjf n GLY 178 N 1.59 -0.31 4.00 -1.45 0.00 -0.70 -5.00 105.19 103.31 3mjf n GLY 178 Ca -0.14 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 3mjf n GLY 178 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mjf n ASP 179 N 0.52 -0.66 0.28 1.61 8.00 -0.90 -4.83 116.55 120.56 3mjf n ASP 179 Ca 0.06 -1.07 0.18 0.00 0.71 0.00 0.00 54.79 54.67 3mjf n ASP 179 Cb 0.25 -2.76 0.85 0.00 -0.02 0.00 0.00 41.12 39.43 3mjf n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mjf h ALA 180 N 0.86 1.00 0.00 2.24 0.00 -1.64 -3.47 119.26 118.25 3mjf h ALA 180 Ca -0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3mjf h ALA 180 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3mjf h ALA 180 CO 0.62 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3mjf n GLY 181 N -0.44 0.75 3.87 0.00 0.00 -1.26 -4.98 105.19 103.13 3mjf n GLY 181 Ca -0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3mjf n GLY 181 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mjf s HIS 182 N -2.00 3.60 -0.12 1.61 3.76 -1.26 -5.09 115.29 115.79 3mjf s HIS 182 Ca 0.00 1.27 -0.13 0.00 -0.15 0.00 0.00 55.06 56.05 3mjf s HIS 182 Cb 0.00 -2.75 0.03 0.00 1.11 0.00 0.00 32.58 30.98 3mjf s HIS 182 CO 0.00 -0.73 0.36 0.50 -0.85 0.00 0.00 174.74 174.03 3mjf s ARG 183 N -5.19 0.46 0.19 1.40 3.52 -1.26 -4.66 118.95 113.40 3mjf s ARG 183 Ca 0.55 0.44 0.07 0.00 -0.13 0.00 0.00 55.73 56.66 3mjf s ARG 183 Cb -0.11 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.45 3mjf s ARG 183 CO 0.54 -0.07 -0.14 0.96 -0.81 0.00 0.00 175.30 175.78 3mjf s ILE 184 N 0.03 1.61 -0.11 4.11 -4.36 -0.10 -4.40 121.20 117.98 3mjf s ILE 184 Ca -0.01 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.25 3mjf s ILE 184 Cb -0.03 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.70 3mjf s ILE 184 CO 0.01 -0.61 -0.19 -0.69 0.24 0.00 0.00 174.94 173.71 3mjf s VAL 185 N -2.97 2.57 -0.22 8.37 1.01 -0.57 -0.73 120.40 127.86 3mjf s VAL 185 Ca 0.20 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3mjf s VAL 185 Cb -0.00 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3mjf s VAL 185 CO 0.05 0.55 0.06 -0.69 0.00 0.00 0.00 175.10 175.07 3mjf s VAL 186 N 0.24 4.39 0.02 2.92 1.01 -0.09 -0.98 120.40 127.92 3mjf s VAL 186 Ca -0.12 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3mjf s VAL 186 Cb -0.16 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3mjf s VAL 186 CO 0.07 0.39 -0.14 -0.70 0.00 0.00 0.00 175.10 174.72 3mjf s GLU 187 N 1.16 0.97 0.30 2.72 2.12 0.03 -1.23 118.70 124.78 3mjf s GLU 187 Ca 0.04 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 3mjf s GLU 187 Cb -0.14 -0.96 -0.12 0.00 0.26 0.00 0.00 34.13 33.16 3mjf s GLU 187 CO 0.03 0.25 1.48 -1.91 -0.54 0.00 0.00 175.26 174.57 3mjf n GLU 188 N 2.23 2.44 -2.60 4.30 2.13 0.22 -0.71 120.64 128.65 3mjf n GLU 188 Ca -0.16 0.86 -0.43 0.00 0.66 0.00 0.00 57.16 58.09 3mjf n GLU 188 Cb 0.55 -2.57 -0.02 0.00 0.27 0.00 0.00 31.44 29.67 3mjf n GLU 188 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3mjf s PHE 189 N -0.41 3.28 -0.41 4.31 5.36 -1.26 -4.74 117.98 124.11 3mjf s PHE 189 Ca 0.61 1.39 -0.16 0.00 -0.96 0.00 0.00 56.93 57.82 3mjf s PHE 189 Cb -0.54 -3.31 0.02 0.00 -0.34 0.00 0.00 43.02 38.85 3mjf s PHE 189 CO 0.54 -0.73 0.36 -0.51 -1.46 0.00 0.00 175.22 173.42 3mjf s LEU 190 N 2.81 4.96 0.24 6.12 1.43 -1.26 -4.99 118.68 127.99 3mjf s LEU 190 Ca 0.48 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3mjf s LEU 190 Cb -0.18 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 3mjf s LEU 190 CO 0.13 -0.50 0.28 -0.62 0.23 0.00 0.00 176.35 175.87 3mjf s ASP 191 N 1.74 5.97 0.00 2.29 -1.08 -1.26 -4.99 116.67 119.34 3mjf s ASP 191 Ca 0.08 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 3mjf s ASP 191 Cb -0.18 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 3mjf s ASP 191 CO 0.12 -0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.37 3mjf n GLY 192 N -1.26 0.28 3.05 2.66 0.00 -1.26 -4.25 105.19 104.42 3mjf n GLY 192 Ca -0.08 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 3mjf n GLY 192 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mjf s GLU 193 N -0.89 0.96 0.43 1.61 2.12 -0.53 -4.93 118.70 117.46 3mjf s GLU 193 Ca 0.00 -0.39 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 3mjf s GLU 193 Cb 0.00 -0.91 -0.10 0.00 0.26 0.00 0.00 34.13 33.37 3mjf s GLU 193 CO 0.00 0.21 0.97 -1.21 -0.54 0.00 0.00 175.26 174.69 3mjf s GLU 194 N -0.15 4.19 0.00 4.30 2.02 -1.26 -0.57 118.70 127.24 3mjf s GLU 194 Ca 0.02 1.19 -0.09 0.00 0.02 0.00 0.00 54.97 56.10 3mjf s GLU 194 Cb -0.06 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.95 3mjf s GLU 194 CO -0.00 -0.07 0.19 0.00 0.02 0.00 0.00 175.26 175.40 3mjf s ALA 195 N -2.09 -0.45 -0.23 5.21 0.00 -0.44 -4.81 121.76 118.94 3mjf s ALA 195 Ca 0.62 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 3mjf s ALA 195 Cb -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3mjf s ALA 195 CO 0.15 -0.24 0.13 -1.12 0.00 0.00 0.00 175.76 174.69 3mjf s SER 196 N -1.44 5.86 -0.24 0.00 0.01 -0.05 -0.78 113.70 117.07 3mjf s SER 196 Ca -0.14 0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.19 3mjf s SER 196 Cb -0.06 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.17 3mjf s SER 196 CO 0.02 0.06 -0.12 0.12 0.41 0.00 0.00 173.24 173.72 3mjf s PHE 197 N 1.08 3.05 -0.08 2.43 5.36 -0.08 -2.48 117.98 127.26 3mjf s PHE 197 Ca 0.06 -2.10 0.04 0.00 -0.96 0.00 0.00 56.93 53.97 3mjf s PHE 197 Cb -0.14 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 3mjf s PHE 197 CO 0.04 -0.85 -0.22 0.42 -1.46 0.00 0.00 175.22 173.16 3mjf s ILE 198 N 1.18 2.33 0.00 3.12 1.01 -1.26 -0.86 121.20 126.72 3mjf s ILE 198 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3mjf s ILE 198 Cb -0.18 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3mjf s ILE 198 CO -0.07 0.56 0.00 1.33 0.00 0.00 0.00 174.94 176.76 3mjf n VAL 199 N 3.17 0.00 0.00 2.92 0.24 -0.65 -4.67 118.33 119.34 3mjf n VAL 199 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3mjf n VAL 199 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3mjf n VAL 199 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3mjf n VAL 201 N 0.00 0.00 -0.12 3.34 0.31 -0.23 -0.70 118.33 120.93 3mjf n VAL 201 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3mjf n VAL 201 Cb 0.00 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.10 3mjf n VAL 201 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3mjf n ASP 202 N 0.00 2.98 0.00 4.52 5.68 -0.48 -1.06 116.55 128.20 3mjf n ASP 202 Ca 0.00 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3mjf n ASP 202 Cb 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 3mjf n ASP 202 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mjf n GLY 203 N 0.71 3.32 0.00 6.12 0.00 -0.87 -4.50 105.19 109.98 3mjf n GLY 203 Ca 0.13 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 3mjf n GLY 203 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mjf n GLU 204 N 0.00 3.46 -4.21 1.61 1.02 -1.26 -4.58 120.64 116.68 3mjf n GLU 204 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3mjf n GLU 204 Cb 0.00 -1.02 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3mjf n GLU 204 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3mjf s ASN 205 N -3.21 4.81 -0.02 1.62 0.01 -1.26 -5.02 114.94 111.87 3mjf s ASN 205 Ca -0.01 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 51.75 3mjf s ASN 205 Cb 0.00 -1.03 -0.00 0.00 0.41 0.00 0.00 41.25 40.63 3mjf s ASN 205 CO 0.03 0.06 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.86 3mjf s VAL 206 N -1.90 1.02 -0.25 1.60 1.01 -1.26 -1.38 120.40 119.23 3mjf s VAL 206 Ca 0.29 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3mjf s VAL 206 Cb -0.09 -0.87 0.06 0.00 0.00 0.00 0.00 36.38 35.49 3mjf s VAL 206 CO 0.20 0.30 -0.06 -0.22 0.00 0.00 0.00 175.10 175.31 3mjf s LEU 207 N -0.06 3.02 0.00 3.92 2.96 -1.26 -4.85 118.68 122.41 3mjf s LEU 207 Ca 0.00 -1.34 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 3mjf s LEU 207 Cb -0.08 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.29 3mjf s LEU 207 CO 0.00 -0.24 0.00 -2.65 -1.32 0.00 0.00 176.35 172.15 3mjf n PRO 208 N 4.56 0.88 -2.94 0.98 -0.02 -1.26 -4.61 135.00 132.59 3mjf n PRO 208 Ca -0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 3mjf n PRO 208 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.85 3mjf n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mjf s ALA 210 N -3.01 3.22 0.76 3.55 0.00 -1.26 -4.90 121.76 120.12 3mjf s ALA 210 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 3mjf s ALA 210 Cb 0.00 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.17 3mjf s ALA 210 CO 0.00 0.23 1.08 0.95 0.00 0.00 0.00 175.76 178.02 3mjf s THR 211 N -1.87 3.49 0.18 0.00 -4.23 -1.26 -4.63 115.64 107.32 3mjf s THR 211 Ca 0.54 0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 61.38 3mjf s THR 211 Cb -0.13 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.56 3mjf s THR 211 CO 0.18 -0.63 0.44 -0.94 -0.54 0.00 0.00 174.62 173.13 3mjf s SER 212 N -3.74 -0.16 -0.09 3.99 1.04 -1.03 -3.80 113.70 109.90 3mjf s SER 212 Ca 0.60 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 3mjf s SER 212 Cb -0.15 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.53 3mjf s SER 212 CO 0.55 -1.00 -0.04 -1.58 0.98 0.00 0.00 173.24 172.15 3mjf s GLN 213 N -3.90 1.11 0.48 4.02 0.74 -0.52 -0.87 119.66 120.72 3mjf s GLN 213 Ca 0.12 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.45 3mjf s GLN 213 Cb 0.00 -1.30 0.01 0.00 1.10 0.00 0.00 33.01 32.83 3mjf s GLN 213 CO -0.02 -0.28 0.70 0.34 -0.55 0.00 0.00 175.29 175.48 3mjf s ASP 214 N 1.80 5.61 -0.47 6.67 2.15 -1.26 -2.23 116.67 128.94 3mjf s ASP 214 Ca 0.04 0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.17 3mjf s ASP 214 Cb -0.12 -1.22 0.13 0.00 -0.30 0.00 0.00 42.92 41.41 3mjf s ASP 214 CO -0.07 -0.87 0.24 -1.00 -0.17 0.00 0.00 175.17 173.30 3mjf s HIS 215 N -2.61 2.59 0.13 -5.34 3.76 -0.72 -4.97 115.29 108.12 3mjf s HIS 215 Ca 0.52 -2.77 -0.02 0.00 -0.15 0.00 0.00 55.06 52.63 3mjf s HIS 215 Cb -0.10 -2.35 -0.11 0.00 1.11 0.00 0.00 32.58 31.12 3mjf s HIS 215 CO 0.38 -0.77 1.29 0.87 -0.85 0.00 0.00 174.74 175.65 3mjf h LYS 216 N 6.69 0.31 -6.95 1.40 1.79 -1.89 -3.38 116.57 114.54 3mjf h LYS 216 Ca -0.05 -0.38 -0.49 0.00 -2.18 0.00 0.00 60.65 57.56 3mjf h LYS 216 Cb 0.92 0.12 0.02 0.00 -1.58 0.00 0.00 32.23 31.71 3mjf h LYS 216 CO 0.58 1.09 0.43 1.03 -1.08 0.00 0.00 179.45 181.49 3mjf s ARG 217 N -3.10 4.16 0.42 3.15 1.81 -1.26 -0.36 118.95 123.76 3mjf s ARG 217 Ca -0.04 1.57 0.19 0.00 -1.72 0.00 0.00 55.73 55.73 3mjf s ARG 217 Cb 0.09 -2.58 0.92 0.00 -0.45 0.00 0.00 34.95 32.92 3mjf s ARG 217 CO 0.86 -0.16 1.87 -0.24 -0.68 0.00 0.00 175.30 176.95 3mjf h VAL 218 N 2.24 0.94 -3.07 3.52 3.04 -1.06 -3.45 116.25 118.41 3mjf h VAL 218 Ca -0.48 -1.13 -0.62 0.00 -1.01 0.00 0.00 66.70 63.46 3mjf h VAL 218 Cb 1.22 1.66 -0.10 0.00 -2.01 0.00 0.00 31.29 32.06 3mjf h VAL 218 CO 0.62 0.29 -0.62 -0.83 -1.01 0.00 0.00 177.57 176.02 3mjf s GLY 219 N -4.29 1.86 0.47 3.17 0.00 0.23 -4.62 107.32 104.14 3mjf s GLY 219 Ca -0.02 -1.16 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 3mjf s GLY 219 CO 0.67 -1.15 0.79 1.22 0.00 0.00 0.00 173.10 174.63 3mjf n ASP 220 N 0.19 0.18 -1.40 1.64 8.00 -1.26 -1.83 116.55 122.08 3mjf n ASP 220 Ca -0.09 0.92 -0.14 0.00 0.71 0.00 0.00 54.79 56.18 3mjf n ASP 220 Cb 0.53 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.34 3mjf n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mjf n GLY 221 N 1.47 0.46 3.44 0.44 0.00 -1.26 -3.60 105.19 106.13 3mjf n GLY 221 Ca 0.11 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 3mjf n GLY 221 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mjf n ASP 222 N -0.53 -4.66 -4.51 1.61 9.92 -0.89 -5.03 116.55 112.46 3mjf n ASP 222 Ca -0.16 -0.77 -0.25 0.00 -0.53 0.00 0.00 54.79 53.08 3mjf n ASP 222 Cb 0.56 -4.66 -0.10 0.00 -0.64 0.00 0.00 41.12 36.28 3mjf n ASP 222 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3mjf s THR 223 N -3.45 2.34 0.02 -3.53 -4.23 -0.76 -4.97 115.64 101.06 3mjf s THR 223 Ca 0.30 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3mjf s THR 223 Cb -0.06 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3mjf s THR 223 CO 0.77 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 3mjf n GLY 224 N -0.72 -2.02 3.77 3.99 0.00 -1.26 -0.60 105.19 108.35 3mjf n GLY 224 Ca -0.05 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3mjf n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mjf s PRO 225 N -0.37 2.41 0.62 1.61 0.04 -1.26 -4.54 135.00 133.52 3mjf s PRO 225 Ca 0.00 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 3mjf s PRO 225 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3mjf s PRO 225 CO 0.00 -1.54 1.09 -0.80 0.04 0.00 0.00 177.00 175.79 3mjf s ASN 226 N -3.05 5.43 0.36 6.66 0.01 -1.26 -1.13 114.94 121.96 3mjf s ASN 226 Ca 0.64 1.94 0.06 0.00 -0.71 0.00 0.00 52.86 54.79 3mjf s ASN 226 Cb -0.19 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.90 3mjf s ASN 226 CO 0.51 -1.41 0.23 0.35 -1.51 0.00 0.00 177.10 175.26 3mjf n THR 227 N -2.17 0.00 0.36 1.60 -2.24 0.51 -4.81 114.28 107.53 3mjf n THR 227 Ca 0.10 -2.42 0.12 0.00 -2.27 0.00 0.00 64.05 59.58 3mjf n THR 227 Cb 0.52 1.07 0.53 0.00 -2.10 0.00 0.00 70.33 70.35 3mjf n THR 227 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3mjf h GLY 228 N 1.88 0.00 0.00 3.38 0.00 -1.93 -3.46 103.07 102.94 3mjf h GLY 228 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3mjf h GLY 228 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 3mjf n GLY 229 N -0.17 0.94 3.83 4.60 0.00 -1.26 -4.53 105.19 108.60 3mjf n GLY 229 Ca 0.01 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 3mjf n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mjf s GLY 231 N 0.00 2.28 0.05 -0.02 0.00 -1.26 -4.54 107.32 103.82 3mjf s GLY 231 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 44.72 44.99 3mjf s GLY 231 CO 0.00 0.62 0.12 0.00 0.00 0.00 0.00 173.10 173.84 3mjf s ALA 232 N -2.32 -0.11 0.11 3.20 0.00 -0.75 -1.76 121.76 120.12 3mjf s ALA 232 Ca 0.61 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3mjf s ALA 232 Cb -0.10 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3mjf s ALA 232 CO 0.20 -0.36 -0.06 1.52 0.00 0.00 0.00 175.76 177.06 3mjf s TYR 233 N -2.86 0.94 -0.03 0.00 -0.85 -0.95 -0.32 117.35 113.29 3mjf s TYR 233 Ca -0.03 -0.91 -0.02 0.00 -0.52 0.00 0.00 57.07 55.59 3mjf s TYR 233 Cb 0.00 -0.54 0.01 0.00 0.38 0.00 0.00 41.96 41.82 3mjf s TYR 233 CO -0.06 -0.14 0.08 0.45 -1.52 0.00 0.00 175.55 174.37 3mjf s SER 234 N -3.06 -0.07 0.64 -0.18 0.15 -0.32 -1.44 113.70 109.42 3mjf s SER 234 Ca 0.13 0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.87 3mjf s SER 234 Cb 0.05 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 3mjf s SER 234 CO -0.04 -0.06 0.96 -2.16 1.20 0.00 0.00 173.24 173.14 3mjf s PRO 235 N 0.33 2.65 -0.37 5.44 0.04 -1.26 -1.23 135.00 140.60 3mjf s PRO 235 Ca -0.02 -0.06 -0.16 0.00 0.04 0.00 0.00 61.00 60.80 3mjf s PRO 235 Cb -0.04 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3mjf s PRO 235 CO -0.01 -0.92 0.37 0.00 0.04 0.00 0.00 177.00 176.48 3mjf s ALA 236 N -3.11 3.47 0.53 8.56 0.00 -1.25 -4.88 121.76 125.09 3mjf s ALA 236 Ca 0.56 -1.37 0.34 0.00 0.00 0.00 0.00 51.96 51.50 3mjf s ALA 236 Cb -0.11 -2.89 1.90 0.00 0.00 0.00 0.00 23.12 22.02 3mjf s ALA 236 CO 0.45 -1.27 2.23 -1.00 0.00 0.00 0.00 175.76 176.18 3mjf h PRO 237 N 8.57 0.00 0.00 0.00 0.13 -1.97 -1.48 132.00 137.25 3mjf h PRO 237 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3mjf h PRO 237 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mjf h PRO 237 CO 0.73 0.03 -0.02 -0.24 -0.23 0.00 0.00 178.00 178.27 3mjf h VAL 238 N 0.00 0.86 -2.18 1.56 3.04 -1.95 -3.26 116.25 114.33 3mjf h VAL 238 Ca -0.00 -0.06 -0.71 0.00 -1.01 0.00 0.00 66.70 64.92 3mjf h VAL 238 Cb 0.12 1.03 -0.17 0.00 -2.01 0.00 0.00 31.29 30.27 3mjf h VAL 238 CO 0.00 0.02 1.19 -0.69 -1.01 0.00 0.00 177.57 177.08 3mjf s VAL 239 N -4.89 4.84 1.02 1.51 1.01 -0.56 -4.87 120.40 118.47 3mjf s VAL 239 Ca -0.05 -2.14 -0.13 0.00 0.00 0.00 0.00 61.98 59.66 3mjf s VAL 239 Cb 0.16 -4.88 0.20 0.00 0.00 0.00 0.00 36.38 31.86 3mjf s VAL 239 CO 0.63 -1.60 1.11 0.42 0.00 0.00 0.00 175.10 175.66 3mjf s THR 240 N 2.22 1.94 0.25 3.92 -4.23 -1.23 -4.73 115.64 113.78 3mjf s THR 240 Ca 0.39 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 3mjf s THR 240 Cb -0.03 -2.56 0.23 0.00 1.34 0.00 0.00 72.50 71.48 3mjf s THR 240 CO -0.04 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.33 3mjf h ASP 241 N -1.93 0.84 -0.55 3.99 3.32 -1.94 0.91 116.42 121.05 3mjf h ASP 241 Ca -0.52 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 3mjf h ASP 241 Cb 1.33 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3mjf h ASP 241 CO 0.55 0.52 0.18 0.44 -1.72 0.00 0.00 179.24 179.20 3mjf h ASP 242 N 0.96 0.80 -0.53 6.45 3.32 -1.98 -1.96 116.42 123.47 3mjf h ASP 242 Ca 0.40 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3mjf h ASP 242 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3mjf h ASP 242 CO -0.20 0.79 0.03 0.58 -1.72 0.00 0.00 179.24 178.72 3mjf h VAL 243 N 0.77 1.26 -0.37 -1.35 2.07 -1.68 -1.89 116.25 115.06 3mjf h VAL 243 Ca 0.18 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3mjf h VAL 243 Cb 0.27 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3mjf h VAL 243 CO -0.01 0.38 0.21 -0.74 0.02 0.00 0.00 177.57 177.43 3mjf h HIS 244 N 0.89 0.38 -0.48 1.57 -0.00 -0.54 0.67 115.15 117.64 3mjf h HIS 244 Ca 0.17 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.59 3mjf h HIS 244 Cb 0.48 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 3mjf h HIS 244 CO 0.03 0.22 0.26 0.37 -0.00 0.00 0.00 177.93 178.81 3mjf h GLN 245 N 0.42 0.51 -0.87 5.26 5.75 -1.16 -2.54 115.11 122.48 3mjf h GLN 245 Ca 0.15 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3mjf h GLN 245 Cb 0.02 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3mjf h GLN 245 CO -0.08 0.34 0.44 0.00 -2.65 0.00 0.00 178.83 176.87 3mjf h ARG 246 N 0.52 1.24 -0.34 1.69 3.08 -0.74 -0.58 114.38 119.25 3mjf h ARG 246 Ca 0.20 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mjf h ARG 246 Cb 0.07 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3mjf h ARG 246 CO -0.12 0.94 0.00 0.28 -1.07 0.00 0.00 179.97 180.00 3mjf n VAL 247 N -4.31 0.00 0.00 2.04 0.31 0.17 -0.41 118.33 116.14 3mjf n VAL 247 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3mjf n VAL 247 Cb 0.13 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3mjf n VAL 247 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3mjf n ASP 249 N 0.58 0.00 0.02 4.52 8.00 -0.22 -1.13 116.55 128.32 3mjf n ASP 249 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3mjf n ASP 249 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 3mjf n ASP 249 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mjf n GLN 250 N 0.00 0.63 0.01 -1.24 6.02 0.46 -4.44 117.38 118.82 3mjf n GLN 250 Ca 0.00 0.12 -0.02 0.00 -0.01 0.00 0.00 57.00 57.09 3mjf n GLN 250 Cb 0.00 -1.73 -0.01 0.00 1.02 0.00 0.00 30.24 29.52 3mjf n GLN 250 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3mjf n VAL 251 N -2.75 1.13 0.09 5.09 0.31 -0.28 -4.43 118.33 117.50 3mjf n VAL 251 Ca -0.10 0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.42 3mjf n VAL 251 Cb 0.80 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.95 3mjf n VAL 251 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3mjf h ILE 252 N -0.23 0.75 -0.59 2.52 1.08 -1.45 -2.00 117.51 117.59 3mjf h ILE 252 Ca 0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3mjf h ILE 252 Cb 0.23 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 3mjf h ILE 252 CO 0.00 0.17 0.38 -0.50 -0.69 0.00 0.00 178.15 177.51 3mjf h TRP 253 N -0.85 0.76 -0.62 1.37 4.06 -1.83 -0.68 115.95 118.16 3mjf h TRP 253 Ca -0.03 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 3mjf h TRP 253 Cb 0.51 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 3mjf h TRP 253 CO 0.06 0.49 0.37 -1.35 -3.56 0.00 0.00 178.44 174.46 3mjf h PRO 254 N 0.80 0.83 0.05 0.49 0.11 -1.77 -0.20 132.00 132.31 3mjf h PRO 254 Ca 0.21 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3mjf h PRO 254 Cb -0.06 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.87 3mjf h PRO 254 CO -0.04 0.59 -0.02 1.15 -0.21 0.00 0.00 178.00 179.46 3mjf h THR 255 N 0.85 1.18 -0.32 -1.15 2.02 -0.83 0.47 112.91 115.14 3mjf h THR 255 Ca 0.22 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3mjf h THR 255 Cb -0.03 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3mjf h THR 255 CO -0.04 0.19 0.14 0.58 0.37 0.00 0.00 175.52 176.76 3mjf h VAL 256 N -0.39 1.17 -0.52 3.16 2.07 -0.96 -2.78 116.25 118.01 3mjf h VAL 256 Ca -0.01 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 3mjf h VAL 256 Cb 0.36 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3mjf h VAL 256 CO 0.01 0.17 -0.06 0.03 0.02 0.00 0.00 177.57 177.74 3mjf h ARG 257 N 0.37 0.92 -1.22 1.57 3.08 -1.10 -2.62 114.38 115.39 3mjf h ARG 257 Ca 0.11 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3mjf h ARG 257 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3mjf h ARG 257 CO -0.01 0.95 0.00 0.41 -1.07 0.00 0.00 179.97 180.25 3mjf n GLY 258 N -0.42 0.66 0.02 0.04 0.00 0.16 -0.66 105.19 104.98 3mjf n GLY 258 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mjf n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjf n ALA 260 N 0.65 0.00 0.25 4.61 0.00 -0.99 -1.91 120.51 123.12 3mjf n ALA 260 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3mjf n ALA 260 Cb 0.15 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.25 3mjf n ALA 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mjf h ALA 261 N 0.00 1.48 -0.09 0.00 0.00 -1.17 -1.19 119.26 118.29 3mjf h ALA 261 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3mjf h ALA 261 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mjf h ALA 261 CO 0.00 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.81 3mjf n GLU 262 N -3.95 1.66 -0.86 0.00 1.02 -0.80 -4.91 120.64 112.80 3mjf n GLU 262 Ca -0.02 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 3mjf n GLU 262 Cb 0.23 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3mjf n GLU 262 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mjf n GLY 263 N 1.13 0.49 2.59 0.62 0.00 -0.45 -5.00 105.19 104.58 3mjf n GLY 263 Ca 0.18 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 3mjf n GLY 263 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mjf n ASN 264 N 1.43 3.42 -4.69 1.61 3.02 -1.26 -5.02 115.26 113.77 3mjf n ASN 264 Ca 0.00 -3.43 -0.44 0.00 -0.03 0.00 0.00 54.58 50.68 3mjf n ASN 264 Cb 0.00 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 3mjf n ASN 264 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3mjf n ILE 265 N 0.37 0.95 -3.82 2.41 5.41 -1.26 -4.19 119.36 119.23 3mjf n ILE 265 Ca 0.29 -0.24 -0.35 0.00 1.00 0.00 0.00 62.75 63.45 3mjf n ILE 265 Cb 0.44 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.68 3mjf n ILE 265 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3mjf s TYR 266 N -0.02 3.40 0.07 1.39 5.04 -1.26 -4.70 117.35 121.26 3mjf s TYR 266 Ca 0.67 0.30 0.04 0.00 -2.44 0.00 0.00 57.07 55.64 3mjf s TYR 266 Cb -0.61 -2.11 -0.03 0.00 0.35 0.00 0.00 41.96 39.56 3mjf s TYR 266 CO 0.49 0.32 -0.12 0.95 -1.34 0.00 0.00 175.55 175.86 3mjf s THR 267 N 0.17 0.92 0.00 4.34 -4.23 -1.26 -2.05 115.64 113.52 3mjf s THR 267 Ca 0.08 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3mjf s THR 267 Cb -0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.72 3mjf s THR 267 CO -0.01 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3mjf n GLY 268 N 1.18 -0.66 3.76 3.99 0.00 -0.22 -0.78 105.19 112.45 3mjf n GLY 268 Ca -0.21 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.21 3mjf n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mjf s PHE 269 N -0.04 3.42 -0.18 1.61 0.08 -1.26 -1.06 117.98 120.54 3mjf s PHE 269 Ca 0.00 1.62 0.01 0.00 0.12 0.00 0.00 56.93 58.68 3mjf s PHE 269 Cb 0.00 -3.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.08 3mjf s PHE 269 CO 0.00 -0.92 -0.18 -1.17 -0.10 0.00 0.00 175.22 172.85 3mjf s LEU 270 N -1.58 2.19 -0.45 -0.37 2.96 0.12 -4.88 118.68 116.68 3mjf s LEU 270 Ca 0.46 -0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 53.57 3mjf s LEU 270 Cb -0.34 -1.45 0.09 0.00 0.50 0.00 0.00 46.19 45.00 3mjf s LEU 270 CO 0.44 -0.02 0.31 -0.31 -1.32 0.00 0.00 176.35 175.44 3mjf s TYR 271 N 1.30 3.36 -0.24 5.38 2.02 -1.26 -1.63 117.35 126.28 3mjf s TYR 271 Ca 0.04 -1.61 -0.15 0.00 -0.37 0.00 0.00 57.07 54.98 3mjf s TYR 271 Cb -0.14 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.19 3mjf s TYR 271 CO -0.12 -0.90 0.36 0.00 -1.57 0.00 0.00 175.55 173.32 3mjf s ALA 272 N 1.42 3.57 -0.26 3.71 0.00 -0.04 -2.08 121.76 128.08 3mjf s ALA 272 Ca 0.04 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 3mjf s ALA 272 Cb -0.24 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 3mjf s ALA 272 CO 0.01 -0.45 0.47 0.20 0.00 0.00 0.00 175.76 176.00 3mjf s GLY 273 N 1.31 1.87 0.00 0.00 0.00 -0.10 -0.90 107.32 109.50 3mjf s GLY 273 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3mjf s GLY 273 CO 0.08 1.15 0.00 1.04 0.00 0.00 0.00 173.10 175.37 3mjf n LEU 274 N 5.41 0.00 -3.48 0.66 4.77 0.04 -0.39 117.00 124.00 3mjf n LEU 274 Ca -0.05 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 3mjf n LEU 274 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3mjf n LEU 274 CO 0.40 0.00 0.48 -0.63 -1.33 0.00 0.00 177.39 176.30 3mjf s ILE 276 N 2.41 -0.69 0.95 -0.08 -1.09 0.27 -1.33 121.20 121.65 3mjf s ILE 276 Ca 0.00 0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.30 3mjf s ILE 276 Cb 0.00 -1.00 0.16 0.00 -1.58 0.00 0.00 42.46 40.04 3mjf s ILE 276 CO 0.00 0.00 1.09 -0.94 -1.23 0.00 0.00 174.94 173.86 3mjf s SER 277 N 2.63 3.03 0.53 3.58 1.04 -0.32 -1.45 113.70 122.73 3mjf s SER 277 Ca -0.03 1.32 0.18 0.00 0.48 0.00 0.00 55.95 57.90 3mjf s SER 277 Cb -0.08 -1.99 1.32 0.00 0.10 0.00 0.00 66.02 65.36 3mjf s SER 277 CO -0.18 -2.89 2.13 0.00 0.98 0.00 0.00 173.24 173.28 3mjf h ALA 278 N -1.73 2.06 -0.39 5.32 0.00 -1.91 -0.18 119.26 122.43 3mjf h ALA 278 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3mjf h ALA 278 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3mjf h ALA 278 CO 0.56 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 3mjf n ASP 279 N -4.48 2.91 0.00 0.00 8.00 -1.26 -4.92 116.55 116.80 3mjf n ASP 279 Ca -0.01 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.27 3mjf n ASP 279 Cb 0.17 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3mjf n ASP 279 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mjf n GLY 280 N 0.84 0.45 3.69 0.44 0.00 -0.08 -5.04 105.19 105.49 3mjf n GLY 280 Ca 0.15 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3mjf n GLY 280 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mjf s GLN 281 N -2.83 3.80 0.12 1.61 -1.52 -1.26 -4.63 119.66 114.96 3mjf s GLN 281 Ca 0.00 -0.30 -0.18 0.00 -1.95 0.00 0.00 55.36 52.93 3mjf s GLN 281 Cb 0.00 -3.19 -0.07 0.00 -0.22 0.00 0.00 33.01 29.53 3mjf s GLN 281 CO 0.00 0.41 0.58 -1.25 -0.25 0.00 0.00 175.29 174.79 3mjf s PRO 282 N -0.02 4.13 -0.01 2.91 0.04 -1.26 -1.17 135.00 139.62 3mjf s PRO 282 Ca 0.07 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.82 3mjf s PRO 282 Cb -0.12 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 3mjf s PRO 282 CO 0.01 0.55 -0.15 0.15 0.04 0.00 0.00 177.00 177.60 3mjf s LYS 283 N -1.54 1.20 -0.06 4.56 1.02 -1.26 -4.75 119.74 118.91 3mjf s LYS 283 Ca 0.34 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 3mjf s LYS 283 Cb -0.17 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.94 3mjf s LYS 283 CO 0.19 0.32 1.17 0.08 -0.92 0.00 0.00 175.35 176.19 3mjf s VAL 284 N -0.34 4.32 -0.08 3.17 1.01 0.09 -4.37 120.40 124.19 3mjf s VAL 284 Ca 0.06 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.65 3mjf s VAL 284 Cb -0.06 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3mjf s VAL 284 CO -0.01 0.00 0.12 0.40 0.00 0.00 0.00 175.10 175.61 3mjf h ILE 285 N 5.00 0.00 -2.80 2.22 2.04 -1.05 -3.37 117.51 119.55 3mjf h ILE 285 Ca -0.34 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 64.73 3mjf h ILE 285 Cb 1.16 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 3mjf h ILE 285 CO 0.87 0.00 0.29 -1.83 0.00 0.00 0.00 178.15 177.49 3mjf s GLU 286 N -1.82 1.32 -0.30 2.37 -1.05 -1.19 -4.96 118.70 113.07 3mjf s GLU 286 Ca -0.01 -0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 54.11 3mjf s GLU 286 Cb 0.00 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 3mjf s GLU 286 CO 0.04 -0.59 0.18 -0.06 0.95 0.00 0.00 175.26 175.78 3mjf s PHE 287 N -3.63 3.19 -0.19 4.83 0.08 -1.26 -0.92 117.98 120.08 3mjf s PHE 287 Ca 0.05 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.61 3mjf s PHE 287 Cb -0.02 -2.38 0.10 0.00 -0.57 0.00 0.00 43.02 40.14 3mjf s PHE 287 CO -0.06 -0.32 0.85 1.21 -0.10 0.00 0.00 175.22 176.80 3mjf s ASN 288 N 1.69 -0.57 0.32 1.36 3.84 -0.89 -4.24 114.94 116.47 3mjf s ASN 288 Ca 0.06 0.88 0.22 0.00 0.21 0.00 0.00 52.86 54.23 3mjf s ASN 288 Cb -0.17 0.82 1.18 0.00 -0.55 0.00 0.00 41.25 42.54 3mjf s ASN 288 CO 0.09 -0.34 1.67 0.00 -2.79 0.00 0.00 177.10 175.73 3mjf n ARG 290 N -2.27 0.13 -0.20 0.00 1.85 -1.26 -1.49 116.66 113.43 3mjf n ARG 290 Ca -0.01 0.45 0.06 0.00 -1.00 0.00 0.00 57.85 57.35 3mjf n ARG 290 Cb 0.04 -1.80 0.16 0.00 -1.05 0.00 0.00 32.46 29.81 3mjf n ARG 290 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3mjf n PHE 291 N -2.07 0.51 0.22 2.89 3.72 -0.69 -3.88 117.46 118.16 3mjf n PHE 291 Ca 0.01 -0.25 0.02 0.00 -0.05 0.00 0.00 57.45 57.18 3mjf n PHE 291 Cb 0.15 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 3mjf n PHE 291 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mjf n GLY 292 N 1.07 0.42 2.74 1.37 0.00 -0.55 -4.73 105.19 105.51 3mjf n GLY 292 Ca 0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3mjf n GLY 292 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mjf s ASP 293 N -1.34 1.22 -0.23 1.61 -1.08 -1.25 -1.51 116.67 114.09 3mjf s ASP 293 Ca 0.02 0.03 0.08 0.00 -0.52 0.00 0.00 52.55 52.16 3mjf s ASP 293 Cb 0.04 0.09 0.58 0.00 -1.46 0.00 0.00 42.92 42.17 3mjf s ASP 293 CO 0.18 -0.28 1.51 -0.81 0.52 0.00 0.00 175.17 176.30 3mjf n PRO 294 N 5.31 3.35 0.01 4.34 -0.04 -1.26 -4.53 135.00 142.18 3mjf n PRO 294 Ca -0.05 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.05 3mjf n PRO 294 Cb 0.50 -2.02 0.22 0.00 -0.04 0.00 0.00 33.50 32.15 3mjf n PRO 294 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3mjf h GLU 295 N 2.34 0.50 -0.76 0.54 3.07 -1.85 -3.04 114.58 115.38 3mjf h GLU 295 Ca 0.14 -0.17 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3mjf h GLU 295 Cb 1.85 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.68 3mjf h GLU 295 CO 0.51 0.68 0.50 1.15 -1.40 0.00 0.00 179.01 180.45 3mjf h THR 296 N 0.45 1.18 0.55 1.13 2.02 -1.61 -3.07 112.91 113.56 3mjf h THR 296 Ca 0.07 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3mjf h THR 296 Cb 0.60 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3mjf h THR 296 CO 0.04 0.19 -0.35 1.56 0.37 0.00 0.00 175.52 177.33 3mjf h GLN 297 N 1.02 -0.82 -0.37 6.66 7.50 -1.81 -2.54 115.11 124.74 3mjf h GLN 297 Ca 0.28 0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.42 3mjf h GLN 297 Cb -0.09 0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 3mjf h GLN 297 CO -0.07 -0.55 -0.05 -1.00 -1.50 0.00 0.00 178.83 175.67 3mjf h PRO 298 N -0.86 0.61 -1.09 1.46 0.13 -1.71 -2.63 132.00 127.91 3mjf h PRO 298 Ca -0.06 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3mjf h PRO 298 Cb 0.70 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3mjf h PRO 298 CO 0.05 0.67 0.00 -0.89 -0.23 0.00 0.00 178.00 177.60 3mjf n ILE 299 N -4.23 0.00 0.00 -3.56 5.41 -0.96 -2.53 119.36 113.50 3mjf n ILE 299 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3mjf n ILE 299 Cb 0.29 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 3mjf n ILE 299 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3mjf n LEU 301 N 0.75 0.00 -4.43 1.39 7.94 -0.99 -4.94 117.00 116.72 3mjf n LEU 301 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 3mjf n LEU 301 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3mjf n LEU 301 CO 0.00 0.00 0.88 -0.13 -1.11 0.00 0.00 177.39 177.03 3mjf s ARG 302 N 0.00 3.62 0.00 1.96 0.52 -1.05 -4.93 118.95 119.07 3mjf s ARG 302 Ca 0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 3mjf s ARG 302 Cb 0.00 -4.82 0.00 0.00 0.52 0.00 0.00 34.95 30.65 3mjf s ARG 302 CO 0.00 -1.67 0.00 0.54 0.02 0.00 0.00 175.30 174.19 3mjf n ARG 304 N 5.98 0.22 -1.09 3.54 1.74 0.15 -0.39 116.66 126.80 3mjf n ARG 304 Ca 0.22 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.00 3mjf n ARG 304 Cb 0.48 -0.04 0.14 0.00 -1.02 0.00 0.00 32.46 32.03 3mjf n ARG 304 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3mjf s SER 305 N -0.57 3.32 -0.39 0.55 0.01 -1.12 -4.95 113.70 110.55 3mjf s SER 305 Ca 0.00 1.62 -0.23 0.00 1.31 0.00 0.00 55.95 58.65 3mjf s SER 305 Cb 0.00 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.97 3mjf s SER 305 CO 0.00 -2.75 0.77 -0.62 0.41 0.00 0.00 173.24 171.05 3mjf s ASP 306 N -3.25 6.50 0.24 2.44 -1.08 -1.26 -4.95 116.67 115.32 3mjf s ASP 306 Ca 0.64 0.22 -0.06 0.00 -0.52 0.00 0.00 52.55 52.83 3mjf s ASP 306 Cb -0.19 -2.39 0.25 0.00 -1.46 0.00 0.00 42.92 39.13 3mjf s ASP 306 CO 0.58 -0.77 1.86 0.25 0.52 0.00 0.00 175.17 177.61 3mjf h LEU 307 N 9.81 1.08 -0.23 -1.34 5.85 -1.94 -1.82 115.31 126.72 3mjf h LEU 307 Ca -0.25 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3mjf h LEU 307 Cb 1.09 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3mjf h LEU 307 CO 0.92 0.88 0.10 0.58 -0.34 0.00 0.00 178.44 180.58 3mjf h VAL 308 N 1.21 1.16 -0.46 1.05 2.07 -1.90 -0.04 116.25 119.33 3mjf h VAL 308 Ca 0.30 -0.48 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3mjf h VAL 308 Cb 0.05 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 3mjf h VAL 308 CO -0.05 0.16 -0.03 -0.08 0.02 0.00 0.00 177.57 177.60 3mjf h GLU 309 N 0.23 0.08 -0.26 1.57 4.81 -1.91 -0.07 114.58 119.02 3mjf h GLU 309 Ca 0.08 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 3mjf h GLU 309 Cb 0.16 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3mjf h GLU 309 CO -0.01 0.05 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.00 3mjf h LEU 310 N 0.08 0.68 -0.86 1.64 3.38 -1.15 -1.77 115.31 117.31 3mjf h LEU 310 Ca 0.23 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3mjf h LEU 310 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3mjf h LEU 310 CO -0.41 1.02 -0.04 0.00 0.09 0.00 0.00 178.44 179.10 3mjf h LEU 312 N 0.75 0.61 -1.22 0.00 5.85 -0.94 -1.74 115.31 118.61 3mjf h LEU 312 Ca 0.14 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3mjf h LEU 312 Cb 0.51 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3mjf h LEU 312 CO 0.03 0.45 0.47 0.00 -0.34 0.00 0.00 178.44 179.05 3mjf h ALA 313 N 1.18 1.42 0.00 1.25 0.00 -0.96 -0.53 119.26 121.63 3mjf h ALA 313 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mjf h ALA 313 Cb -0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3mjf h ALA 313 CO -0.04 0.51 -0.02 0.78 0.00 0.00 0.00 179.25 180.49 3mjf h GLY 314 N 1.04 0.00 0.04 0.00 0.00 -0.18 -1.19 103.07 102.78 3mjf h GLY 314 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3mjf h GLY 314 CO -0.05 0.00 -0.43 -1.30 0.00 0.00 0.00 176.54 174.75 3mjf n THR 315 N -3.16 0.00 0.01 4.70 -2.24 -0.25 -4.40 114.28 108.94 3mjf n THR 315 Ca -0.01 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.67 3mjf n THR 315 Cb 0.18 0.65 0.07 0.00 -2.10 0.00 0.00 70.33 69.13 3mjf n THR 315 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mjf n GLN 316 N -0.74 2.01 -1.66 -0.78 6.02 -0.58 -4.98 117.38 116.66 3mjf n GLN 316 Ca 0.09 -1.54 -0.10 0.00 -0.01 0.00 0.00 57.00 55.45 3mjf n GLN 316 Cb 0.37 -1.15 -0.03 0.00 1.02 0.00 0.00 30.24 30.46 3mjf n GLN 316 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mjf n GLY 317 N 0.18 0.65 0.39 1.08 0.00 -0.94 -4.93 105.19 101.61 3mjf n GLY 317 Ca 0.06 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.63 3mjf n GLY 317 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mjf n LYS 318 N -2.39 1.87 0.25 1.61 5.02 -0.56 -4.66 118.16 119.31 3mjf n LYS 318 Ca -0.11 -2.70 0.11 0.00 -2.02 0.00 0.00 58.31 53.60 3mjf n LYS 318 Cb 0.43 -1.63 0.66 0.00 -0.02 0.00 0.00 35.03 34.47 3mjf n LYS 318 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3mjf h LEU 319 N 0.67 0.00 -0.43 -0.35 3.38 -1.92 -1.69 115.31 114.98 3mjf h LEU 319 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mjf h LEU 319 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3mjf h LEU 319 CO 0.09 0.15 0.00 -0.46 0.09 0.00 0.00 178.44 178.31 3mjf n ASN 320 N -3.67 0.30 -0.58 -0.43 6.94 -1.26 -1.61 115.26 114.95 3mjf n ASN 320 Ca -0.02 0.59 0.13 0.00 -0.02 0.00 0.00 54.58 55.27 3mjf n ASN 320 Cb 0.27 -0.65 0.37 0.00 -2.36 0.00 0.00 39.78 37.41 3mjf n ASN 320 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3mjf n GLU 321 N -1.85 1.72 -4.33 -3.83 1.02 -0.63 -4.99 120.64 107.75 3mjf n GLU 321 Ca 0.02 -1.16 -0.27 0.00 -0.02 0.00 0.00 57.16 55.73 3mjf n GLU 321 Cb 0.14 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.99 3mjf n GLU 321 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3mjf s LYS 322 N -2.08 1.89 0.30 3.49 -0.14 -0.63 -5.13 119.74 117.43 3mjf s LYS 322 Ca 0.33 -1.33 0.08 0.00 -1.36 0.00 0.00 55.97 53.68 3mjf s LYS 322 Cb 0.20 -2.07 -0.06 0.00 -1.68 0.00 0.00 37.83 34.22 3mjf s LYS 322 CO 0.36 0.43 -0.07 0.95 -0.76 0.00 0.00 175.35 176.25 3mjf s THR 323 N -1.64 1.85 0.02 2.17 -4.23 -1.26 -5.03 115.64 107.52 3mjf s THR 323 Ca 0.23 -2.16 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 3mjf s THR 323 Cb -0.09 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 3mjf s THR 323 CO 0.13 -0.28 -0.16 -0.94 -0.54 0.00 0.00 174.62 172.83 3mjf s SER 324 N -3.49 3.90 0.03 3.99 1.04 -1.26 -5.00 113.70 112.90 3mjf s SER 324 Ca 0.30 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3mjf s SER 324 Cb 0.03 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 3mjf s SER 324 CO 0.13 0.27 -0.20 -1.81 0.98 0.00 0.00 173.24 172.61 3mjf s ASP 325 N -1.32 2.42 0.02 7.02 1.01 -1.26 -5.00 116.67 119.55 3mjf s ASP 325 Ca 0.14 -0.48 0.02 0.00 0.71 0.00 0.00 52.55 52.94 3mjf s ASP 325 Cb -0.11 -0.21 -0.01 0.00 1.01 0.00 0.00 42.92 43.60 3mjf s ASP 325 CO 0.05 0.18 -0.07 0.26 0.21 0.00 0.00 175.17 175.79 3mjf s TRP 326 N -0.73 0.62 0.27 4.23 0.52 -1.26 -0.67 118.94 121.92 3mjf s TRP 326 Ca 0.07 -0.28 -0.31 0.00 0.02 0.00 0.00 56.10 55.61 3mjf s TRP 326 Cb -0.09 -0.38 -0.12 0.00 -1.15 0.00 0.00 33.47 31.74 3mjf s TRP 326 CO 0.01 -0.04 1.64 -3.47 0.02 0.00 0.00 176.95 175.12 3mjf n ASP 327 N 2.26 3.95 0.27 2.95 -0.08 0.48 -4.86 116.55 121.51 3mjf n ASP 327 Ca -0.17 1.12 0.18 0.00 -1.51 0.00 0.00 54.79 54.41 3mjf n ASP 327 Cb 0.56 -1.59 0.83 0.00 2.34 0.00 0.00 41.12 43.26 3mjf n ASP 327 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3mjf h GLU 328 N 5.41 0.00 -6.91 -0.67 4.11 -2.00 -3.43 114.58 111.09 3mjf h GLU 328 Ca -0.46 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.50 3mjf h GLU 328 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3mjf h GLU 328 CO 0.84 0.00 0.36 1.03 0.07 0.00 0.00 179.01 181.32 3mjf s ARG 329 N -3.77 4.48 0.74 1.06 0.52 -1.26 -5.04 118.95 115.67 3mjf s ARG 329 Ca -0.01 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.46 3mjf s ARG 329 Cb 0.10 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 32.88 3mjf s ARG 329 CO 0.44 0.17 1.07 -1.25 0.02 0.00 0.00 175.30 175.75 3mjf s PRO 330 N -2.19 2.60 0.09 3.54 0.04 -1.20 -4.86 135.00 133.02 3mjf s PRO 330 Ca 0.52 0.90 0.03 0.00 0.04 0.00 0.00 61.00 62.50 3mjf s PRO 330 Cb -0.19 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3mjf s PRO 330 CO 0.24 -1.33 -0.09 0.45 0.04 0.00 0.00 177.00 176.32 3mjf s SER 331 N -3.76 1.29 -0.10 6.66 0.15 -0.36 -2.01 113.70 115.57 3mjf s SER 331 Ca 0.59 -0.83 -0.08 0.00 0.70 0.00 0.00 55.95 56.33 3mjf s SER 331 Cb -0.15 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 3mjf s SER 331 CO 0.55 -0.31 0.25 -0.22 1.20 0.00 0.00 173.24 174.71 3mjf s LEU 332 N -2.50 0.89 -0.03 3.45 0.20 -0.21 -1.18 118.68 119.31 3mjf s LEU 332 Ca 0.05 0.52 0.05 0.00 0.69 0.00 0.00 54.13 55.44 3mjf s LEU 332 Cb -0.02 0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 46.58 3mjf s LEU 332 CO -0.01 -0.10 -0.19 -0.83 -0.29 0.00 0.00 176.35 174.92 3mjf s GLY 333 N 0.38 0.97 -0.20 7.98 0.00 0.57 -0.59 107.32 116.43 3mjf s GLY 333 Ca -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 3mjf s GLY 333 CO -0.02 -0.56 -0.05 0.14 0.00 0.00 0.00 173.10 172.61 3mjf s VAL 334 N -0.25 3.40 0.13 1.40 1.01 -0.15 -1.81 120.40 124.13 3mjf s VAL 334 Ca 0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3mjf s VAL 334 Cb -0.09 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 3mjf s VAL 334 CO 0.01 0.44 1.11 -0.69 0.00 0.00 0.00 175.10 175.97 3mjf s VAL 335 N 1.20 4.04 -0.27 2.92 1.01 -1.26 -0.74 120.40 127.31 3mjf s VAL 335 Ca 0.02 1.64 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 3mjf s VAL 335 Cb -0.14 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3mjf s VAL 335 CO -0.01 0.22 0.14 -0.76 0.00 0.00 0.00 175.10 174.69 3mjf s LEU 336 N 0.16 3.77 0.30 3.92 1.02 -0.18 -4.48 118.68 123.20 3mjf s LEU 336 Ca 0.52 -0.12 0.10 0.00 0.02 0.00 0.00 54.13 54.66 3mjf s LEU 336 Cb -0.28 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 3mjf s LEU 336 CO 0.32 -0.05 -0.08 0.00 0.02 0.00 0.00 176.35 176.56 3mjf s ALA 337 N 1.69 3.00 -0.13 4.21 0.00 -0.12 -0.83 121.76 129.58 3mjf s ALA 337 Ca 0.07 -1.87 -0.22 0.00 0.00 0.00 0.00 51.96 49.94 3mjf s ALA 337 Cb -0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3mjf s ALA 337 CO 0.08 0.20 0.68 0.00 0.00 0.00 0.00 175.76 176.71 3mjf s ALA 338 N -2.48 3.44 0.17 0.00 0.00 0.21 -1.64 121.76 121.47 3mjf s ALA 338 Ca 0.32 -0.03 -0.33 0.00 0.00 0.00 0.00 51.96 51.91 3mjf s ALA 338 Cb -0.03 -2.97 -0.15 0.00 0.00 0.00 0.00 23.12 19.97 3mjf s ALA 338 CO 0.18 -0.31 1.38 0.41 0.00 0.00 0.00 175.76 177.41 3mjf n GLY 339 N 3.38 0.62 0.00 0.00 0.00 -0.08 -1.53 105.19 107.58 3mjf n GLY 339 Ca -0.01 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3mjf n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mjf n GLY 340 N 2.51 2.14 3.71 -0.02 0.00 -1.26 -4.18 105.19 108.09 3mjf n GLY 340 Ca 0.15 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3mjf n GLY 340 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mjf n TYR 341 N 0.00 2.50 0.68 1.61 9.36 -0.58 -0.54 117.16 130.18 3mjf n TYR 341 Ca 0.00 0.38 0.09 0.00 3.32 0.00 0.00 57.90 61.69 3mjf n TYR 341 Cb 0.00 -2.51 0.25 0.00 -0.63 0.00 0.00 39.34 36.45 3mjf n TYR 341 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3mjf n PRO 342 N 1.76 2.03 0.00 2.98 -0.04 -1.26 -5.01 135.00 135.46 3mjf n PRO 342 Ca 0.09 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 3mjf n PRO 342 Cb 0.35 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 3mjf n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mjf n ALA 343 N 0.79 0.00 -1.78 0.55 0.00 0.30 -5.03 120.51 115.33 3mjf n ALA 343 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 3mjf n ALA 343 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 3mjf n ALA 343 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3mjf s ASP 344 N -1.00 6.15 0.10 0.00 -4.77 -1.25 -4.91 116.67 110.98 3mjf s ASP 344 Ca 0.00 2.09 -0.14 0.00 -3.30 0.00 0.00 52.55 51.20 3mjf s ASP 344 Cb 0.00 -2.58 0.02 0.00 -1.09 0.00 0.00 42.92 39.28 3mjf s ASP 344 CO 0.00 -0.92 0.34 -0.72 0.70 0.00 0.00 175.17 174.57 3mjf s TYR 345 N -1.79 -0.11 0.23 2.11 -0.85 -1.26 -3.98 117.35 111.69 3mjf s TYR 345 Ca 0.67 -0.19 -0.22 0.00 -0.52 0.00 0.00 57.07 56.82 3mjf s TYR 345 Cb -0.22 0.16 -0.08 0.00 0.38 0.00 0.00 41.96 42.20 3mjf s TYR 345 CO 0.26 -0.63 0.78 0.50 -1.52 0.00 0.00 175.55 174.94 3mjf s ARG 346 N -3.55 4.39 0.15 -3.49 3.52 -1.26 -5.04 118.95 113.67 3mjf s ARG 346 Ca 0.02 1.02 0.08 0.00 -0.13 0.00 0.00 55.73 56.73 3mjf s ARG 346 Cb 0.02 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3mjf s ARG 346 CO -0.10 0.41 -0.11 -0.65 -0.81 0.00 0.00 175.30 174.04 3mjf s GLN 347 N -1.81 2.02 0.00 5.12 -0.21 -1.26 -4.80 119.66 118.72 3mjf s GLN 347 Ca 0.43 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.61 3mjf s GLN 347 Cb -0.18 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3mjf s GLN 347 CO 0.23 0.46 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 3mjf n GLY 348 N 0.34 0.75 3.74 3.09 0.00 0.23 -4.98 105.19 108.36 3mjf n GLY 348 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3mjf n GLY 348 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mjf s ASP 349 N -2.33 7.22 0.09 1.61 1.01 -1.26 -4.66 116.67 118.34 3mjf s ASP 349 Ca 0.00 2.15 -0.31 0.00 0.71 0.00 0.00 52.55 55.11 3mjf s ASP 349 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3mjf s ASP 349 CO 0.00 -0.25 1.22 -0.69 0.21 0.00 0.00 175.17 175.65 3mjf s VAL 350 N -0.32 3.88 -0.22 -1.27 1.01 -1.26 -1.00 120.40 121.21 3mjf s VAL 350 Ca 0.50 1.39 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 3mjf s VAL 350 Cb -0.31 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3mjf s VAL 350 CO 0.36 0.13 0.42 -0.63 0.00 0.00 0.00 175.10 175.38 3mjf s ILE 351 N 0.86 5.17 0.13 2.22 1.01 0.12 -4.57 121.20 126.14 3mjf s ILE 351 Ca 0.58 0.73 0.04 0.00 0.00 0.00 0.00 60.65 62.00 3mjf s ILE 351 Cb -0.31 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3mjf s ILE 351 CO 0.30 0.20 0.11 -1.00 0.00 0.00 0.00 174.94 174.56 3mjf s HIS 352 N 1.64 3.16 0.00 3.97 3.76 0.02 -4.66 115.29 123.18 3mjf s HIS 352 Ca 0.19 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 3mjf s HIS 352 Cb -0.15 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 31.99 3mjf s HIS 352 CO 0.09 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 3mjf n GLY 353 N -0.03 0.51 3.76 -2.22 0.00 -1.26 -0.64 105.19 105.31 3mjf n GLY 353 Ca -0.08 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3mjf n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mjf s LEU 354 N 0.00 3.79 0.33 0.99 1.43 -1.26 -4.37 118.68 119.60 3mjf s LEU 354 Ca 0.00 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 3mjf s LEU 354 Cb 0.00 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 3mjf s LEU 354 CO 0.00 -1.35 1.32 -2.16 0.23 0.00 0.00 176.35 174.39 3mjf s PRO 355 N -3.11 4.33 0.18 1.29 0.04 -1.26 -4.92 135.00 131.55 3mjf s PRO 355 Ca 0.72 2.25 0.10 0.00 0.04 0.00 0.00 61.00 64.11 3mjf s PRO 355 Cb -0.30 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.08 3mjf s PRO 355 CO 0.34 -0.22 1.33 1.96 0.04 0.00 0.00 177.00 180.45 3mjf h GLN 356 N 3.40 0.00 -4.32 4.56 4.20 -2.06 -3.47 115.11 117.43 3mjf h GLN 356 Ca -0.49 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.03 3mjf h GLN 356 Cb 1.23 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.82 3mjf h GLN 356 CO 0.66 0.78 -0.70 -0.65 -0.67 0.00 0.00 178.83 178.25 3mjf s GLN 357 N -2.81 0.54 0.54 1.46 -0.21 -1.26 -5.14 119.66 112.78 3mjf s GLN 357 Ca 0.02 -0.93 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 3mjf s GLN 357 Cb 0.09 -0.03 -0.05 0.00 1.00 0.00 0.00 33.01 34.02 3mjf s GLN 357 CO 0.79 -0.03 1.20 -1.21 -2.12 0.00 0.00 175.29 173.92 3mjf s GLU 358 N -2.52 3.27 0.28 2.91 2.02 -1.26 -5.04 118.70 118.35 3mjf s GLU 358 Ca -0.04 1.83 0.11 0.00 0.02 0.00 0.00 54.97 56.90 3mjf s GLU 358 Cb -0.03 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 3mjf s GLU 358 CO -0.04 -0.97 -0.13 0.14 0.02 0.00 0.00 175.26 174.28 3mjf s VAL 359 N -1.57 2.71 0.18 2.63 -7.23 -1.26 -5.09 120.40 110.77 3mjf s VAL 359 Ca 0.72 -2.25 -0.32 0.00 -1.81 0.00 0.00 61.98 58.33 3mjf s VAL 359 Cb -0.30 -2.48 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 3mjf s VAL 359 CO 0.34 -0.37 1.73 -0.75 -0.31 0.00 0.00 175.10 175.74 3mjf s LYS 360 N -3.57 4.14 -1.83 4.82 2.20 -1.26 -3.00 119.74 121.24 3mjf s LYS 360 Ca 0.31 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 3mjf s LYS 360 Cb -0.05 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3mjf s LYS 360 CO 0.17 -0.75 0.00 -0.25 -0.36 0.00 0.00 175.35 174.15 3mjf n ASP 361 N 4.36 -5.21 -3.83 1.43 8.00 -1.26 -4.96 116.55 115.08 3mjf n ASP 361 Ca 0.16 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.90 3mjf n ASP 361 Cb 0.36 -4.30 -0.07 0.00 -0.02 0.00 0.00 41.12 37.10 3mjf n ASP 361 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3mjf s GLY 362 N -2.65 0.07 -0.25 0.44 0.00 -1.16 -1.31 107.32 102.46 3mjf s GLY 362 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 44.72 43.99 3mjf s GLY 362 CO 0.00 -0.72 0.64 1.25 0.00 0.00 0.00 173.10 174.27 3mjf s LYS 363 N -3.86 0.70 -0.47 2.90 2.47 0.35 -4.35 119.74 117.47 3mjf s LYS 363 Ca 0.06 1.01 -0.18 0.00 -1.56 0.00 0.00 55.97 55.29 3mjf s LYS 363 Cb 0.04 0.24 0.05 0.00 -1.46 0.00 0.00 37.83 36.70 3mjf s LYS 363 CO -0.10 -0.12 0.54 0.08 0.16 0.00 0.00 175.35 175.92 3mjf s VAL 364 N 0.92 4.98 -0.09 4.02 1.01 -1.26 -0.64 120.40 129.34 3mjf s VAL 364 Ca -0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3mjf s VAL 364 Cb -0.05 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3mjf s VAL 364 CO -0.08 -0.66 0.42 -0.36 0.00 0.00 0.00 175.10 174.42 3mjf s PHE 365 N 2.37 3.57 0.10 5.22 0.08 -0.32 -4.95 117.98 124.05 3mjf s PHE 365 Ca 0.13 0.87 -0.12 0.00 0.12 0.00 0.00 56.93 57.94 3mjf s PHE 365 Cb -0.19 -2.43 -0.06 0.00 -0.57 0.00 0.00 43.02 39.77 3mjf s PHE 365 CO 0.12 0.33 0.45 -1.01 -0.10 0.00 0.00 175.22 175.02 3mjf s HIS 366 N 0.05 3.60 0.00 0.36 3.76 -1.26 -0.45 115.29 121.34 3mjf s HIS 366 Ca 0.24 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 3mjf s HIS 366 Cb -0.15 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.30 3mjf s HIS 366 CO 0.10 0.49 0.00 0.00 -0.85 0.00 0.00 174.74 174.48 3mjf n ALA 367 N 0.90 0.24 -2.23 -1.40 0.00 0.23 -3.07 120.51 115.18 3mjf n ALA 367 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3mjf n ALA 367 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3mjf n ALA 367 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mjf n GLY 368 N 4.86 3.50 3.07 0.00 0.00 -0.34 -4.65 105.19 111.62 3mjf n GLY 368 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3mjf n GLY 368 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mjf s THR 369 N 3.50 0.45 -0.00 2.61 -4.23 -1.26 -0.10 115.64 116.61 3mjf s THR 369 Ca 0.50 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3mjf s THR 369 Cb 0.08 -0.82 -0.00 0.00 1.34 0.00 0.00 72.50 73.10 3mjf s THR 369 CO 0.00 -0.56 -0.03 -0.75 -0.54 0.00 0.00 174.62 172.74 3mjf s LYS 370 N -2.20 0.28 -0.36 3.99 2.20 -0.46 -2.14 119.74 121.06 3mjf s LYS 370 Ca -0.06 -0.12 -0.13 0.00 -0.36 0.00 0.00 55.97 55.30 3mjf s LYS 370 Cb -0.05 -0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 3mjf s LYS 370 CO -0.02 0.07 0.25 -1.17 -0.36 0.00 0.00 175.35 174.13 3mjf s LEU 371 N -0.08 4.66 0.76 5.43 2.96 -1.26 -0.79 118.68 130.36 3mjf s LEU 371 Ca 0.01 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3mjf s LEU 371 Cb -0.01 -2.14 0.13 0.00 0.50 0.00 0.00 46.19 44.66 3mjf s LEU 371 CO -0.00 -0.29 1.05 0.54 -1.32 0.00 0.00 176.35 176.34 3mjf s ASN 372 N 1.71 4.22 0.61 3.68 2.20 -0.16 -4.95 114.94 122.25 3mjf s ASN 372 Ca 0.06 -0.06 0.37 0.00 -0.94 0.00 0.00 52.86 52.28 3mjf s ASN 372 Cb -0.18 -0.32 1.98 0.00 -2.00 0.00 0.00 41.25 40.73 3mjf s ASN 372 CO 0.10 -1.96 2.25 1.23 -2.94 0.00 0.00 177.10 175.78 3mjf h GLY 373 N -0.74 0.00 -2.26 0.45 0.00 -1.98 -1.52 103.07 97.01 3mjf h GLY 373 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3mjf h GLY 373 CO 0.44 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.68 3mjf n ASN 374 N -3.38 3.40 -2.34 0.19 3.02 -1.26 -4.93 115.26 109.96 3mjf n ASN 374 Ca -0.02 -2.38 -0.15 0.00 -0.03 0.00 0.00 54.58 51.99 3mjf n ASN 374 Cb 0.13 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.78 3mjf n ASN 374 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3mjf n HIS 375 N 0.52 -1.18 -3.17 3.10 -0.00 -0.57 -5.00 115.22 108.91 3mjf n HIS 375 Ca 0.16 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.97 3mjf n HIS 375 Cb 0.68 -3.16 -0.06 0.00 -0.12 0.00 0.00 29.99 27.34 3mjf n HIS 375 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3mjf s GLU 376 N -4.89 4.27 -0.22 1.57 2.02 -1.26 -4.88 118.70 115.32 3mjf s GLU 376 Ca 0.00 0.84 -0.14 0.00 0.02 0.00 0.00 54.97 55.69 3mjf s GLU 376 Cb 0.00 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 3mjf s GLU 376 CO 0.00 0.54 0.32 0.08 0.02 0.00 0.00 175.26 176.22 3mjf s VAL 377 N -1.27 5.25 0.16 2.63 1.01 -1.26 -0.98 120.40 125.93 3mjf s VAL 377 Ca 0.35 0.53 0.11 0.00 0.00 0.00 0.00 61.98 62.97 3mjf s VAL 377 Cb -0.19 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3mjf s VAL 377 CO 0.21 0.28 -0.25 0.68 0.00 0.00 0.00 175.10 176.02 3mjf s VAL 378 N 1.26 2.37 0.33 2.92 -7.23 0.03 -0.70 120.40 119.38 3mjf s VAL 378 Ca 0.15 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 3mjf s VAL 378 Cb -0.14 -2.10 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 3mjf s VAL 378 CO 0.07 -0.00 1.34 0.42 -0.31 0.00 0.00 175.10 176.61 3mjf s THR 379 N -1.35 2.65 -0.20 5.32 -4.23 -0.17 -1.35 115.64 116.31 3mjf s THR 379 Ca 0.18 0.64 0.16 0.00 -1.18 0.00 0.00 61.69 61.49 3mjf s THR 379 Cb -0.09 -3.41 0.38 0.00 1.34 0.00 0.00 72.50 70.72 3mjf s THR 379 CO 0.08 0.15 1.25 -3.20 -0.54 0.00 0.00 174.62 172.36 3mjf n ASN 380 N 0.91 0.02 0.00 3.99 5.15 0.86 -0.60 115.26 125.59 3mjf n ASN 380 Ca 0.01 -2.08 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 3mjf n ASN 380 Cb 0.41 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 3mjf n ASN 380 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mjf n GLY 381 N -0.64 0.93 0.13 8.20 0.00 -1.21 -4.41 105.19 108.19 3mjf n GLY 381 Ca -0.07 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 3mjf n GLY 381 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mjf h GLY 382 N 0.00 0.35 -7.16 -0.02 0.00 -1.93 -3.40 103.07 90.92 3mjf h GLY 382 Ca 0.00 -0.50 -0.62 0.00 0.00 0.00 0.00 47.33 46.21 3mjf h GLY 382 CO 0.00 0.45 -0.49 0.50 0.00 0.00 0.00 176.54 177.00 3mjf s ARG 383 N -3.61 4.06 -0.22 4.80 0.52 -1.26 -0.62 118.95 122.63 3mjf s ARG 383 Ca -0.14 -0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 54.74 3mjf s ARG 383 Cb 0.03 -3.56 -0.11 0.00 0.52 0.00 0.00 34.95 31.84 3mjf s ARG 383 CO 0.77 0.02 -0.26 0.28 0.02 0.00 0.00 175.30 176.13 3mjf n VAL 384 N 4.41 1.22 -4.16 3.52 0.31 -0.01 -1.20 118.33 122.42 3mjf n VAL 384 Ca -0.14 -0.35 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 3mjf n VAL 384 Cb 0.52 -1.65 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 3mjf n VAL 384 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3mjf s LEU 385 N -6.94 2.45 -0.23 7.52 1.43 -0.95 -0.60 118.68 121.34 3mjf s LEU 385 Ca -0.30 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 51.75 3mjf s LEU 385 Cb 0.11 -0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.39 3mjf s LEU 385 CO 0.42 -0.51 0.03 0.00 0.23 0.00 0.00 176.35 176.52 3mjf s VAL 387 N 1.68 4.74 -0.04 0.00 1.01 0.09 -1.18 120.40 126.70 3mjf s VAL 387 Ca 0.01 0.92 0.07 0.00 0.00 0.00 0.00 61.98 62.97 3mjf s VAL 387 Cb -0.18 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3mjf s VAL 387 CO -0.12 -0.41 -0.25 -0.89 0.00 0.00 0.00 175.10 173.43 3mjf s THR 388 N 3.08 2.01 0.01 3.92 2.01 0.19 -0.98 115.64 125.88 3mjf s THR 388 Ca 0.31 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 3mjf s THR 388 Cb -0.13 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.69 3mjf s THR 388 CO 0.16 0.56 0.11 0.00 -0.69 0.00 0.00 174.62 174.77 3mjf s ALA 389 N -0.38 -0.26 0.23 7.40 0.00 0.25 -0.50 121.76 128.50 3mjf s ALA 389 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 3mjf s ALA 389 Cb -0.12 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3mjf s ALA 389 CO 0.01 -0.20 0.44 -0.51 0.00 0.00 0.00 175.76 175.49 3mjf s LEU 390 N -1.41 4.18 0.25 0.00 1.43 -0.43 -1.05 118.68 121.65 3mjf s LEU 390 Ca -0.15 0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 3mjf s LEU 390 Cb -0.08 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.91 3mjf s LEU 390 CO 0.01 -0.09 0.67 -0.83 0.23 0.00 0.00 176.35 176.34 3mjf s GLY 391 N -3.22 -0.13 0.39 -3.19 0.00 -0.85 -4.53 107.32 95.80 3mjf s GLY 391 Ca 0.40 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.97 3mjf s GLY 391 CO 0.30 -0.10 1.98 -2.09 0.00 0.00 0.00 173.10 173.19 3mjf h GLU 392 N 2.03 0.42 -4.65 2.90 4.81 -1.90 -3.17 114.58 115.02 3mjf h GLU 392 Ca -0.22 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 58.70 3mjf h GLU 392 Cb 1.26 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 3mjf h GLU 392 CO 0.27 0.39 -0.65 0.95 -0.73 0.00 0.00 179.01 179.24 3mjf s THR 393 N -5.13 0.42 0.28 0.32 -4.23 -1.26 -4.65 115.64 101.40 3mjf s THR 393 Ca -0.07 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3mjf s THR 393 Cb 0.16 -2.13 0.26 0.00 1.34 0.00 0.00 72.50 72.13 3mjf s THR 393 CO 0.74 -0.43 1.95 0.58 -0.54 0.00 0.00 174.62 176.91 3mjf h VAL 394 N 2.74 1.21 -0.71 2.29 2.07 -1.80 -0.02 116.25 122.03 3mjf h VAL 394 Ca -0.36 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3mjf h VAL 394 Cb 1.21 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3mjf h VAL 394 CO 0.61 0.22 0.44 0.00 0.02 0.00 0.00 177.57 178.85 3mjf h ALA 395 N 1.45 0.93 -0.15 1.67 0.00 -1.91 0.12 119.26 121.37 3mjf h ALA 395 Ca 0.34 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 3mjf h ALA 395 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3mjf h ALA 395 CO -0.08 0.19 -0.73 1.96 0.00 0.00 0.00 179.25 180.59 3mjf h GLN 396 N 0.84 0.67 -0.85 0.00 4.20 -1.74 -1.33 115.11 116.90 3mjf h GLN 396 Ca 0.29 -0.53 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 3mjf h GLN 396 Cb 0.06 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3mjf h GLN 396 CO -0.12 1.15 0.43 0.00 -0.67 0.00 0.00 178.83 179.61 3mjf h ALA 397 N 0.71 1.10 -0.16 3.87 0.00 -0.70 -1.48 119.26 122.59 3mjf h ALA 397 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mjf h ALA 397 Cb 1.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3mjf h ALA 397 CO 0.14 0.64 0.08 0.37 0.00 0.00 0.00 179.25 180.49 3mjf h GLN 398 N 1.20 0.22 -0.33 0.00 4.15 -0.65 -0.18 115.11 119.53 3mjf h GLN 398 Ca 0.29 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.75 3mjf h GLN 398 Cb 0.09 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 3mjf h GLN 398 CO -0.04 0.26 -0.07 0.37 -1.93 0.00 0.00 178.83 177.41 3mjf h GLN 399 N 0.14 0.01 -0.42 1.69 -0.00 -0.94 -1.82 115.11 113.76 3mjf h GLN 399 Ca 0.05 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.60 3mjf h GLN 399 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 3mjf h GLN 399 CO -0.01 0.01 -0.13 -0.92 0.00 0.00 0.00 178.83 177.78 3mjf h TYR 400 N 0.01 0.94 -0.35 3.99 3.20 -1.09 -1.08 116.97 122.60 3mjf h TYR 400 Ca 0.16 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.83 3mjf h TYR 400 Cb 0.24 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3mjf h TYR 400 CO -0.30 0.96 0.21 0.00 -1.64 0.00 0.00 178.16 177.39 3mjf h ALA 401 N 0.85 0.43 -0.10 1.82 0.00 -0.81 -0.45 119.26 121.00 3mjf h ALA 401 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3mjf h ALA 401 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3mjf h ALA 401 CO 0.05 -0.14 -0.37 1.88 0.00 0.00 0.00 179.25 180.67 3mjf h TYR 402 N 0.43 0.23 -0.40 0.00 -1.99 -1.25 -1.67 116.97 112.32 3mjf h TYR 402 Ca 0.13 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 3mjf h TYR 402 Cb -0.01 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.65 3mjf h TYR 402 CO -0.07 0.55 0.12 0.37 -0.00 0.00 0.00 178.16 179.13 3mjf h GLN 403 N 0.17 0.62 0.00 4.88 4.15 -0.70 -2.41 115.11 121.83 3mjf h GLN 403 Ca 0.02 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 3mjf h GLN 403 Cb 0.73 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3mjf h GLN 403 CO 0.06 0.62 -0.23 -0.07 -1.93 0.00 0.00 178.83 177.27 3mjf h LEU 404 N 0.50 0.00 -0.48 -2.39 3.38 -0.82 -2.61 115.31 112.89 3mjf h LEU 404 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3mjf h LEU 404 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mjf h LEU 404 CO -0.00 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3mjf h ALA 405 N 1.77 1.00 -0.55 1.53 0.00 -0.94 -3.40 119.26 118.67 3mjf h ALA 405 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3mjf h ALA 405 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 3mjf h ALA 405 CO 0.03 0.00 -0.25 1.49 0.00 0.00 0.00 179.25 180.53 3mjf h GLU 406 N 0.00 -0.11 -0.14 0.00 4.81 -1.04 -2.40 114.58 115.70 3mjf h GLU 406 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3mjf h GLU 406 Cb 0.81 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3mjf h GLU 406 CO 0.00 -0.07 0.00 0.41 -0.73 0.00 0.00 179.01 178.62 3mjf n GLY 407 N -1.43 0.04 3.67 1.92 0.00 -1.26 -4.85 105.19 103.28 3mjf n GLY 407 Ca 0.05 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3mjf n GLY 407 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mjf s ILE 408 N -1.82 5.04 -0.01 -0.61 1.01 -0.91 -4.20 121.20 119.69 3mjf s ILE 408 Ca 0.31 1.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.98 3mjf s ILE 408 Cb 0.16 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3mjf s ILE 408 CO 0.25 0.14 0.32 -1.58 0.00 0.00 0.00 174.94 174.06 3mjf s GLN 409 N 1.74 0.69 0.21 2.79 2.00 0.19 -4.99 119.66 122.28 3mjf s GLN 409 Ca 0.29 -0.20 -0.22 0.00 -2.00 0.00 0.00 55.36 53.23 3mjf s GLN 409 Cb -0.16 0.31 0.05 0.00 0.80 0.00 0.00 33.01 34.01 3mjf s GLN 409 CO 0.11 -0.19 0.66 1.67 -0.50 0.00 0.00 175.29 177.04 3mjf s TRP 410 N -1.39 -0.38 -0.14 1.67 -2.14 -1.26 -0.80 118.94 114.49 3mjf s TRP 410 Ca -0.13 0.07 -0.29 0.00 2.66 0.00 0.00 56.10 58.40 3mjf s TRP 410 Cb -0.05 0.62 -0.04 0.00 -3.10 0.00 0.00 33.47 30.91 3mjf s TRP 410 CO 0.04 -1.01 1.66 -2.00 -2.66 0.00 0.00 176.95 172.98 3mjf s GLU 411 N -3.80 3.94 0.00 3.25 2.12 -1.26 -2.10 118.70 120.85 3mjf s GLU 411 Ca 0.05 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.31 3mjf s GLU 411 Cb -0.03 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.33 3mjf s GLU 411 CO -0.04 -1.13 0.00 0.41 -0.54 0.00 0.00 175.26 173.96 3mjf n GLY 412 N 4.47 0.59 3.67 -1.50 0.00 -1.26 -4.79 105.19 106.37 3mjf n GLY 412 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3mjf n GLY 412 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3mjf n VAL 413 N -2.01 1.73 -3.71 1.61 3.14 -0.89 -0.90 118.33 117.29 3mjf n VAL 413 Ca 0.00 -0.43 -0.10 0.00 -2.96 0.00 0.00 64.34 60.85 3mjf n VAL 413 Cb 0.00 -1.45 -0.05 0.00 -1.06 0.00 0.00 33.84 31.28 3mjf n VAL 413 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 3mjf s PHE 414 N -0.83 -0.09 0.12 1.45 -0.12 -0.65 -4.88 117.98 112.98 3mjf s PHE 414 Ca 0.59 -0.25 -0.16 0.00 -0.05 0.00 0.00 56.93 57.06 3mjf s PHE 414 Cb -0.61 0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.05 3mjf s PHE 414 CO 0.59 -0.76 0.40 0.00 -0.05 0.00 0.00 175.22 175.40 3mjf s ARG 416 N -3.68 3.46 0.00 0.00 0.52 -1.26 -4.97 118.95 113.02 3mjf s ARG 416 Ca 0.02 1.56 0.22 0.00 -0.52 0.00 0.00 55.73 57.01 3mjf s ARG 416 Cb 0.02 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 3mjf s ARG 416 CO -0.11 -0.75 1.06 1.63 0.02 0.00 0.00 175.30 177.14 3mjf n LYS 417 N -1.22 0.56 -0.27 3.54 4.76 -1.26 -4.52 118.16 119.75 3mjf n LYS 417 Ca 0.11 -0.45 0.08 0.00 -2.87 0.00 0.00 58.31 55.18 3mjf n LYS 417 Cb 0.51 -1.49 0.17 0.00 -1.84 0.00 0.00 35.03 32.38 3mjf n LYS 417 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3mjf n ASP 418 N -0.83 2.12 -4.70 4.39 5.75 -1.26 -5.03 116.55 116.99 3mjf n ASP 418 Ca 0.07 -3.40 -0.43 0.00 -0.01 0.00 0.00 54.79 51.03 3mjf n ASP 418 Cb 0.39 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 3mjf n ASP 418 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3mjf n ILE 419 N -1.31 0.12 -0.16 2.12 2.08 -1.26 -1.62 119.36 119.33 3mjf n ILE 419 Ca 0.17 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.46 3mjf n ILE 419 Cb 0.66 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 3mjf n ILE 419 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mjf n GLY 420 N 4.00 0.65 0.36 7.39 0.00 -1.26 -4.93 105.19 111.39 3mjf n GLY 420 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3mjf n GLY 420 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3mjf h TYR 421 N 0.00 0.62 0.00 1.61 -0.00 -1.72 -1.19 116.97 116.29 3mjf h TYR 421 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 58.73 58.65 3mjf h TYR 421 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 36.73 36.52 3mjf h TYR 421 CO 0.00 0.29 -0.45 0.00 -0.00 0.00 0.00 178.16 178.00 3mjf h ARG 422 N 0.58 0.00 0.21 0.10 2.47 -1.94 -1.07 114.38 114.73 3mjf h ARG 422 Ca 0.32 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.72 3mjf h ARG 422 Cb 0.49 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.83 3mjf h ARG 422 CO -0.11 0.45 -1.48 0.00 0.56 0.00 0.00 179.97 179.39 3mjf h ALA 423 N 1.55 -0.04 -0.26 0.04 0.00 -1.65 -3.32 119.26 115.58 3mjf h ALA 423 Ca -0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 54.91 53.91 3mjf h ALA 423 Cb 0.86 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3mjf h ALA 423 CO 0.06 0.83 -0.16 0.82 0.00 0.00 0.00 179.25 180.80 3mjf h ILE 424 N 0.12 1.24 0.00 0.00 2.04 -1.19 -1.48 117.51 118.24 3mjf h ILE 424 Ca -0.24 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 3mjf h ILE 424 Cb 2.11 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3mjf h ILE 424 CO 0.24 0.34 -0.01 0.00 0.00 0.00 0.00 178.15 178.72 3mjf h ALA 425 N 1.41 1.02 -0.01 1.87 0.00 -1.31 -0.99 119.26 121.26 3mjf h ALA 425 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mjf h ALA 425 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mjf h ALA 425 CO 0.03 0.01 -0.15 0.54 0.00 0.00 0.00 179.25 179.69 3mjf n ARG 426 N -3.13 1.29 -1.04 0.00 1.74 -0.63 -4.93 116.66 109.96 3mjf n ARG 426 Ca -0.01 -0.80 -0.01 0.00 -0.77 0.00 0.00 57.85 56.26 3mjf n ARG 426 Cb 0.20 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3mjf n ARG 426 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mjf n GLY 427 N 1.27 0.45 0.81 -0.13 0.00 -0.37 -5.11 105.19 102.11 3mjf n GLY 427 Ca 0.15 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.24 3mjf n GLY 427 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60