#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njf h LEU 6 N 0.00 0.33 -0.69 7.52 3.38 -1.98 -1.78 115.31 122.08 1njf h LEU 6 Ca 0.00 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1njf h LEU 6 Cb 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1njf h LEU 6 CO 0.00 0.20 0.32 0.00 0.09 0.00 0.00 178.44 179.05 1njf h ALA 7 N 1.40 0.95 -0.12 1.53 0.00 -1.92 0.15 119.26 121.25 1njf h ALA 7 Ca 0.31 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1njf h ALA 7 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1njf h ALA 7 CO -0.27 -0.09 -0.36 -0.09 0.00 0.00 0.00 179.25 178.44 1njf h ARG 8 N 0.55 0.45 -0.12 0.00 9.65 -1.90 -3.05 114.38 119.97 1njf h ARG 8 Ca 0.35 -0.33 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1njf h ARG 8 Cb 0.39 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1njf h ARG 8 CO -0.29 0.95 -0.09 -0.22 2.80 0.00 0.00 179.97 183.12 1njf h LYS 9 N 0.04 0.17 -0.73 0.20 3.64 -0.95 -2.83 116.57 116.11 1njf h LYS 9 Ca -0.01 -0.03 -0.39 0.00 -1.27 0.00 0.00 60.65 58.95 1njf h LYS 9 Cb 0.98 -0.03 -0.23 0.00 -0.41 0.00 0.00 32.23 32.55 1njf h LYS 9 CO 0.08 0.28 0.34 0.91 -2.27 0.00 0.00 179.45 178.79 1njf n TRP 10 N -4.34 2.26 -2.21 1.91 7.02 0.48 -4.98 117.44 117.60 1njf n TRP 10 Ca -0.01 -1.80 -0.42 0.00 -1.02 0.00 0.00 57.50 54.25 1njf n TRP 10 Cb 0.22 -0.77 -0.03 0.00 -2.42 0.00 0.00 31.31 28.31 1njf n TRP 10 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1njf s ARG 11 N -3.31 4.33 0.02 -0.99 3.52 -1.07 -4.90 118.95 116.55 1njf s ARG 11 Ca 0.52 2.02 -0.37 0.00 -0.13 0.00 0.00 55.73 57.78 1njf s ARG 11 Cb 0.45 -3.31 -0.16 0.00 -1.56 0.00 0.00 34.95 30.37 1njf s ARG 11 CO 0.06 -0.44 1.49 -2.30 -0.81 0.00 0.00 175.30 173.30 1njf n PRO 12 N 4.17 1.38 0.00 5.12 -0.02 -1.26 -4.86 135.00 139.53 1njf n PRO 12 Ca 0.11 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.17 1njf n PRO 12 Cb 0.43 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1njf n PRO 12 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1njf n GLN 13 N 3.43 1.59 -3.78 -0.52 1.13 -1.26 -4.91 117.38 113.06 1njf n GLN 13 Ca 0.20 -0.17 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1njf n GLN 13 Cb 0.20 -1.28 -0.07 0.00 0.11 0.00 0.00 30.24 29.20 1njf n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1njf s THR 14 N -2.44 0.11 0.33 5.09 -4.23 -1.26 -4.91 115.64 108.32 1njf s THR 14 Ca 0.08 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1njf s THR 14 Cb 0.13 -1.12 0.28 0.00 1.34 0.00 0.00 72.50 73.13 1njf s THR 14 CO 0.63 -0.48 1.94 -0.26 -0.54 0.00 0.00 174.62 175.91 1njf h PHE 15 N 2.94 0.90 0.00 3.99 0.05 -1.94 -0.97 116.94 121.91 1njf h PHE 15 Ca -0.33 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.45 1njf h PHE 15 Cb 1.21 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 38.86 1njf h PHE 15 CO 0.43 0.48 -0.15 0.00 -0.18 0.00 0.00 178.31 178.89 1njf h ALA 16 N 1.56 1.47 0.00 2.45 0.00 -1.96 -2.19 119.26 120.60 1njf h ALA 16 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1njf h ALA 16 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1njf h ALA 16 CO -0.12 0.18 0.00 -0.44 0.00 0.00 0.00 179.25 178.88 1njf h ASP 17 N 0.00 0.00 -3.90 0.00 3.32 -1.58 -3.45 116.42 110.81 1njf h ASP 17 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 1njf h ASP 17 Cb 0.32 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.94 1njf h ASP 17 CO 0.02 0.00 0.65 -0.69 -1.72 0.00 0.00 179.24 177.50 1njf s VAL 18 N -3.38 2.64 -0.18 -1.35 1.01 -0.82 -4.83 120.40 113.48 1njf s VAL 18 Ca 0.05 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 1njf s VAL 18 Cb 0.07 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1njf s VAL 18 CO 0.60 0.14 0.62 -0.69 0.00 0.00 0.00 175.10 175.77 1njf s VAL 19 N -1.16 5.04 -0.70 2.92 1.01 -1.26 -4.72 120.40 121.54 1njf s VAL 19 Ca 0.50 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 1njf s VAL 19 Cb -0.40 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1njf s VAL 19 CO 0.53 0.15 0.10 0.61 0.00 0.00 0.00 175.10 176.50 1njf n GLY 20 N 3.68 -0.17 2.41 4.51 0.00 -1.26 -4.87 105.19 109.49 1njf n GLY 20 Ca -0.02 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1njf n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1njf n GLN 21 N -2.80 2.94 -0.39 1.61 -0.06 -1.26 -4.88 117.38 112.53 1njf n GLN 21 Ca -0.13 -4.10 -0.04 0.00 -2.00 0.00 0.00 57.00 50.74 1njf n GLN 21 Cb 0.32 -2.03 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 1njf n GLN 21 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1njf n GLU 22 N -0.50 -0.29 0.22 3.69 4.71 -1.26 -1.16 120.64 126.06 1njf n GLU 22 Ca 0.32 1.53 0.07 0.00 -0.01 0.00 0.00 57.16 59.07 1njf n GLU 22 Cb 0.79 -2.26 0.59 0.00 -1.01 0.00 0.00 31.44 29.55 1njf n GLU 22 CO 0.00 0.00 0.00 1.12 0.09 0.00 0.00 177.13 178.34 1njf h HIS 23 N 0.00 0.06 0.00 -0.32 2.07 -1.98 -0.83 115.15 114.16 1njf h HIS 23 Ca 0.30 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.73 1njf h HIS 23 Cb 0.54 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 30.51 1njf h HIS 23 CO -0.92 0.08 -0.32 0.28 -3.07 0.00 0.00 177.93 173.98 1njf h VAL 24 N 0.07 1.54 -0.44 6.12 2.07 -1.51 -3.09 116.25 121.00 1njf h VAL 24 Ca 0.02 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 1njf h VAL 24 Cb 0.06 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1njf h VAL 24 CO 0.00 0.56 0.04 -0.07 0.02 0.00 0.00 177.57 178.11 1njf h LEU 25 N -0.45 0.66 -0.04 2.57 3.38 -1.08 -1.68 115.31 118.67 1njf h LEU 25 Ca -0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1njf h LEU 25 Cb 1.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1njf h LEU 25 CO 0.06 0.71 0.02 0.74 0.09 0.00 0.00 178.44 180.06 1njf h THR 26 N 0.67 1.13 -0.08 0.22 2.02 -1.25 0.13 112.91 115.74 1njf h THR 26 Ca 0.14 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1njf h THR 26 Cb 0.36 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1njf h THR 26 CO 0.01 0.10 0.05 0.00 0.37 0.00 0.00 175.52 176.05 1njf h ALA 27 N 0.86 0.11 -0.47 6.16 0.00 -1.44 -0.73 119.26 123.76 1njf h ALA 27 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1njf h ALA 27 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1njf h ALA 27 CO -0.00 -0.36 0.19 -0.07 0.00 0.00 0.00 179.25 179.01 1njf h LEU 28 N 0.06 0.64 0.13 0.00 3.38 -1.27 0.79 115.31 119.03 1njf h LEU 28 Ca 0.03 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1njf h LEU 28 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1njf h LEU 28 CO -0.01 0.63 -0.15 0.00 0.09 0.00 0.00 178.44 179.01 1njf h ALA 29 N 1.04 -0.27 -0.54 1.53 0.00 -0.61 0.35 119.26 120.75 1njf h ALA 29 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1njf h ALA 29 Cb 0.19 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1njf h ALA 29 CO -0.01 -0.68 0.21 -0.91 0.00 0.00 0.00 179.25 177.86 1njf h ASN 30 N -0.31 0.71 -0.56 0.00 2.35 -1.00 0.49 115.58 117.25 1njf h ASN 30 Ca 0.01 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1njf h ASN 30 Cb 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1njf h ASN 30 CO -0.05 0.64 0.02 1.23 -1.65 0.00 0.00 177.43 177.62 1njf h GLY 31 N 0.90 1.09 0.46 2.83 0.00 -0.40 -0.63 103.07 107.32 1njf h GLY 31 Ca 0.18 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1njf h GLY 31 CO -0.02 0.71 -0.00 1.41 0.00 0.00 0.00 176.54 178.64 1njf h LEU 32 N 0.93 -0.00 -1.48 3.11 3.38 -0.50 0.14 115.31 120.90 1njf h LEU 32 Ca 0.17 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.68 1njf h LEU 32 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1njf h LEU 32 CO 0.02 0.54 0.44 0.28 0.09 0.00 0.00 178.44 179.82 1njf h SER 33 N -0.54 0.54 0.07 -0.43 0.02 -0.83 -0.77 113.55 111.62 1njf h SER 33 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1njf h SER 33 Cb 0.54 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1njf h SER 33 CO 0.00 0.34 -0.13 0.18 -1.14 0.00 0.00 176.83 176.08 1njf n LEU 34 N -4.48 1.57 -2.67 5.07 4.77 -0.25 -4.96 117.00 116.04 1njf n LEU 34 Ca 0.10 -0.50 -0.19 0.00 -0.03 0.00 0.00 56.01 55.38 1njf n LEU 34 Cb 0.28 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1njf n LEU 34 CO 0.34 0.27 0.01 0.61 -1.33 0.00 0.00 177.39 177.29 1njf n GLY 35 N 1.27 -0.36 3.76 -0.72 0.00 -0.29 -4.96 105.19 103.89 1njf n GLY 35 Ca 0.15 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1njf n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1njf s ARG 36 N -5.58 3.67 -0.28 1.61 0.52 -0.07 -4.97 118.95 113.84 1njf s ARG 36 Ca 0.28 2.10 -0.14 0.00 -0.52 0.00 0.00 55.73 57.45 1njf s ARG 36 Cb -0.12 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1njf s ARG 36 CO 0.35 -0.72 0.31 0.42 0.02 0.00 0.00 175.30 175.68 1njf s ILE 37 N -1.34 5.22 -0.05 1.52 1.01 -1.26 -4.87 121.20 121.43 1njf s ILE 37 Ca 0.63 0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.69 1njf s ILE 37 Cb -0.37 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.45 1njf s ILE 37 CO 0.45 0.16 -0.11 -1.00 0.00 0.00 0.00 174.94 174.44 1njf s HIS 38 N 1.97 1.26 -0.03 3.97 3.76 -1.26 -5.04 115.29 119.92 1njf s HIS 38 Ca 0.12 -0.40 0.12 0.00 -0.15 0.00 0.00 55.06 54.76 1njf s HIS 38 Cb -0.16 -0.92 -0.20 0.00 1.11 0.00 0.00 32.58 32.41 1njf s HIS 38 CO 0.10 -0.19 0.82 0.45 -0.85 0.00 0.00 174.74 175.08 1njf h HIS 39 N 6.69 0.00 -2.96 1.40 -0.00 -1.89 -3.47 115.15 114.92 1njf h HIS 39 Ca -0.33 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 59.89 1njf h HIS 39 Cb 1.18 0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 28.33 1njf h HIS 39 CO 0.47 0.92 -0.37 0.00 -0.00 0.00 0.00 177.93 178.95 1njf s ALA 40 N -2.68 -0.77 0.01 2.45 0.00 -1.26 -1.29 121.76 118.23 1njf s ALA 40 Ca -0.03 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1njf s ALA 40 Cb 0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1njf s ALA 40 CO 0.82 -0.17 -0.25 0.71 0.00 0.00 0.00 175.76 176.88 1njf s TYR 41 N 0.44 2.17 -0.11 0.00 1.51 -0.57 -1.37 117.35 119.42 1njf s TYR 41 Ca -0.02 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1njf s TYR 41 Cb -0.04 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1njf s TYR 41 CO -0.02 0.04 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.11 1njf s LEU 42 N -0.90 1.87 -0.22 -1.29 2.96 0.44 -0.42 118.68 121.13 1njf s LEU 42 Ca 0.10 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1njf s LEU 42 Cb -0.09 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.38 1njf s LEU 42 CO 0.01 0.05 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.67 1njf s PHE 43 N 0.85 2.96 0.19 5.38 0.08 0.20 0.06 117.98 127.69 1njf s PHE 43 Ca -0.09 -1.08 0.06 0.00 0.12 0.00 0.00 56.93 55.95 1njf s PHE 43 Cb -0.15 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 1njf s PHE 43 CO -0.00 -0.60 -0.12 -1.54 -0.10 0.00 0.00 175.22 172.86 1njf s SER 44 N 1.44 2.28 0.00 1.36 1.04 -0.53 -0.98 113.70 118.32 1njf s SER 44 Ca 0.05 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1njf s SER 44 Cb -0.15 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1njf s SER 44 CO -0.04 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1njf n GLY 45 N -0.32 2.80 3.32 7.32 0.00 -1.14 0.60 105.19 117.78 1njf n GLY 45 Ca -0.09 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1njf n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1njf n THR 46 N -1.79 0.00 -2.27 2.61 -2.24 -1.26 -4.35 114.28 104.97 1njf n THR 46 Ca 0.00 -0.32 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1njf n THR 46 Cb 0.00 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 1njf n THR 46 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1njf s ARG 47 N -4.19 4.36 -1.31 -0.78 6.06 -1.26 -3.84 118.95 117.99 1njf s ARG 47 Ca 0.63 1.99 0.00 0.00 -2.50 0.00 0.00 55.73 55.84 1njf s ARG 47 Cb -0.18 -3.00 0.00 0.00 0.06 0.00 0.00 34.95 31.83 1njf s ARG 47 CO 0.61 -0.10 0.00 0.41 -2.50 0.00 0.00 175.30 173.73 1njf n GLY 48 N 0.88 0.54 0.70 8.12 0.00 -1.26 -4.50 105.19 109.67 1njf n GLY 48 Ca 0.01 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1njf n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njf n VAL 49 N -3.38 0.00 0.00 1.61 0.24 -1.25 -1.45 118.33 114.10 1njf n VAL 49 Ca -0.15 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1njf n VAL 49 Cb 0.55 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.28 1njf n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1njf n GLY 50 N 1.11 1.47 0.37 7.63 0.00 -1.26 -4.92 105.19 109.59 1njf n GLY 50 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1njf n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1njf h LYS 51 N 0.77 -0.70 0.00 1.61 1.57 -1.94 -1.73 116.57 116.15 1njf h LYS 51 Ca 0.00 0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1njf h LYS 51 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1njf h LYS 51 CO 0.00 -0.47 -0.50 1.79 -0.57 0.00 0.00 179.45 179.71 1njf h THR 52 N -0.73 1.01 -0.13 -0.16 1.35 -1.97 -2.13 112.91 110.16 1njf h THR 52 Ca -0.02 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1njf h THR 52 Cb 0.66 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1njf h THR 52 CO -0.06 0.49 0.06 0.28 -0.25 0.00 0.00 175.52 176.04 1njf h SER 53 N 0.00 0.16 -0.57 5.36 0.02 -1.93 -0.81 113.55 115.78 1njf h SER 53 Ca -0.00 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1njf h SER 53 Cb 1.15 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1njf h SER 53 CO 0.06 0.23 0.02 0.40 -1.14 0.00 0.00 176.83 176.41 1njf h ILE 54 N 0.08 1.26 -0.76 3.27 2.04 -1.30 -2.24 117.51 119.86 1njf h ILE 54 Ca 0.04 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.82 1njf h ILE 54 Cb 0.11 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1njf h ILE 54 CO -0.01 0.40 0.49 0.00 0.00 0.00 0.00 178.15 179.04 1njf h ALA 55 N 0.98 0.98 -0.39 1.87 0.00 -1.21 -0.37 119.26 121.12 1njf h ALA 55 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1njf h ALA 55 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1njf h ALA 55 CO 0.03 0.33 -0.08 -0.09 0.00 0.00 0.00 179.25 179.44 1njf h ARG 56 N 0.99 0.66 -0.15 0.00 2.43 -0.97 -1.13 114.38 116.22 1njf h ARG 56 Ca 0.29 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1njf h ARG 56 Cb -0.06 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1njf h ARG 56 CO -0.08 0.74 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.65 1njf h LEU 57 N 0.61 0.34 -0.04 3.80 3.38 -0.77 -1.73 115.31 120.91 1njf h LEU 57 Ca 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1njf h LEU 57 Cb 0.51 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1njf h LEU 57 CO 0.03 0.71 0.01 0.25 0.09 0.00 0.00 178.44 179.53 1njf h LEU 58 N 0.28 0.06 -0.73 1.67 5.85 -0.39 -0.13 115.31 121.91 1njf h LEU 58 Ca 0.03 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1njf h LEU 58 Cb 0.82 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1njf h LEU 58 CO 0.07 0.25 0.32 0.00 -0.34 0.00 0.00 178.44 178.73 1njf h ALA 59 N 0.81 1.02 -0.01 1.25 0.00 -0.98 0.19 119.26 121.55 1njf h ALA 59 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1njf h ALA 59 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1njf h ALA 59 CO -0.00 -0.15 -0.00 0.87 0.00 0.00 0.00 179.25 179.97 1njf h LYS 60 N 0.51 0.00 -0.72 0.00 1.57 -1.00 -1.49 116.57 115.43 1njf h LYS 60 Ca 0.39 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1njf h LYS 60 Cb 0.52 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1njf h LYS 60 CO -0.35 0.00 0.48 0.78 -0.57 0.00 0.00 179.45 179.79 1njf h GLY 61 N 0.00 1.01 2.00 3.86 0.00 0.42 0.22 103.07 110.59 1njf h GLY 61 Ca 0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1njf h GLY 61 CO -0.01 0.34 -0.31 1.41 0.00 0.00 0.00 176.54 177.97 1njf h LEU 62 N 0.93 0.00 -0.68 3.11 3.38 -0.28 -2.29 115.31 119.48 1njf h LEU 62 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1njf h LEU 62 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1njf h LEU 62 CO -0.07 0.31 -0.07 0.59 0.09 0.00 0.00 178.44 179.29 1njf n ASN 63 N -3.38 0.85 -4.51 -0.43 5.03 -0.60 -4.68 115.26 107.54 1njf n ASN 63 Ca 0.01 -0.93 -0.49 0.00 0.87 0.00 0.00 54.58 54.04 1njf n ASN 63 Cb 0.51 0.41 -0.04 0.00 -1.02 0.00 0.00 39.78 39.65 1njf n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1njf h GLU 65 N 2.22 0.00 0.00 0.00 5.08 -1.95 -1.31 114.58 118.62 1njf h GLU 65 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1njf h GLU 65 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1njf h GLU 65 CO 0.63 0.12 0.00 0.25 -1.00 0.00 0.00 179.01 179.01 1njf n THR 66 N -3.46 0.39 0.00 1.13 -2.24 -1.26 -4.97 114.28 103.87 1njf n THR 66 Ca -0.01 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1njf n THR 66 Cb 0.28 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1njf n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njf n GLY 67 N 0.53 2.55 3.65 3.38 0.00 -0.49 -4.97 105.19 109.82 1njf n GLY 67 Ca 0.09 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1njf n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1njf s ILE 68 N -2.30 3.12 0.06 -0.61 1.01 -1.26 -4.36 121.20 116.86 1njf s ILE 68 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1njf s ILE 68 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1njf s ILE 68 CO 0.00 -0.03 0.04 0.28 0.00 0.00 0.00 174.94 175.23 1njf s THR 69 N 5.24 0.18 -0.48 2.92 -1.32 -0.86 -4.83 115.64 116.50 1njf s THR 69 Ca 0.88 -1.49 0.23 0.00 -1.21 0.00 0.00 61.69 60.11 1njf s THR 69 Cb -0.38 -1.30 0.33 0.00 -1.51 0.00 0.00 72.50 69.64 1njf s THR 69 CO 0.38 -0.82 1.63 0.00 -2.21 0.00 0.00 174.62 173.60 1njf h ALA 70 N 3.23 1.00 -2.97 11.08 0.00 -1.85 -3.39 119.26 126.35 1njf h ALA 70 Ca -0.34 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.96 1njf h ALA 70 Cb 1.17 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 1njf h ALA 70 CO 0.60 0.00 -0.71 0.95 0.00 0.00 0.00 179.25 180.09 1njf s THR 71 N -3.20 1.90 0.26 0.00 -4.23 -1.26 -4.80 115.64 104.32 1njf s THR 71 Ca 0.07 -3.28 -0.31 0.00 -1.18 0.00 0.00 61.69 57.00 1njf s THR 71 Cb 0.06 -2.29 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 1njf s THR 71 CO 0.66 -0.98 1.61 -2.65 -0.54 0.00 0.00 174.62 172.72 1njf n PRO 72 N 2.82 2.61 -0.01 3.99 -0.02 -1.26 -4.87 135.00 138.26 1njf n PRO 72 Ca 0.16 0.93 0.16 0.00 -2.02 0.00 0.00 63.50 62.73 1njf n PRO 72 Cb 0.37 -2.72 0.62 0.00 -0.02 0.00 0.00 33.50 31.75 1njf n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njf n GLY 74 N -1.59 0.44 0.00 0.00 0.00 -1.26 -4.77 105.19 98.00 1njf n GLY 74 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1njf n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njf n VAL 75 N -2.29 0.00 -1.18 1.61 0.24 -1.26 -4.38 118.33 111.07 1njf n VAL 75 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1njf n VAL 75 Cb 0.10 0.11 0.11 0.00 -1.47 0.00 0.00 33.84 32.69 1njf n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1njf h ASP 77 N -1.08 -0.20 -0.07 0.00 3.32 -1.98 0.17 116.42 116.56 1njf h ASP 77 Ca -0.44 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1njf h ASP 77 Cb 1.25 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 1njf h ASP 77 CO 0.48 -0.11 0.05 0.78 -1.72 0.00 0.00 179.24 178.72 1njf h ASN 78 N 0.16 0.09 -0.56 6.45 2.35 -1.91 -0.02 115.58 122.14 1njf h ASN 78 Ca 0.38 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1njf h ASN 78 Cb 0.65 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1njf h ASN 78 CO -0.57 0.07 0.04 0.00 -1.65 0.00 0.00 177.43 175.32 1njf h ARG 80 N 0.92 0.91 -0.34 0.00 2.43 -0.49 -1.42 114.38 116.39 1njf h ARG 80 Ca 0.17 -0.38 -0.17 0.00 -0.81 0.00 0.00 59.98 58.80 1njf h ARG 80 Cb 0.48 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1njf h ARG 80 CO 0.02 1.03 -0.45 0.93 -1.51 0.00 0.00 179.97 179.99 1njf h GLU 81 N 0.74 0.88 -0.56 0.20 5.08 -0.95 -1.58 114.58 118.40 1njf h GLU 81 Ca 0.11 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1njf h GLU 81 Cb 0.73 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1njf h GLU 81 CO 0.06 1.14 0.13 0.82 -1.00 0.00 0.00 179.01 180.16 1njf h ILE 82 N 0.70 1.25 -0.30 3.13 2.04 -1.37 0.39 117.51 123.35 1njf h ILE 82 Ca 0.04 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1njf h ILE 82 Cb 1.04 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1njf h ILE 82 CO 0.10 0.33 0.08 -0.08 0.00 0.00 0.00 178.15 178.59 1njf h GLU 83 N 0.80 0.20 -0.03 2.37 4.81 -1.07 -1.19 114.58 120.47 1njf h GLU 83 Ca 0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1njf h GLU 83 Cb 0.35 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1njf h GLU 83 CO 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 179.01 178.42 1njf n GLN 84 N -5.05 1.14 -2.11 1.92 10.64 -0.61 -4.88 117.38 118.43 1njf n GLN 84 Ca -0.00 -0.22 -0.08 0.00 -1.83 0.00 0.00 57.00 54.87 1njf n GLN 84 Cb 0.12 -1.31 -0.01 0.00 -0.86 0.00 0.00 30.24 28.19 1njf n GLN 84 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1njf n GLY 85 N 0.85 0.09 0.76 2.61 0.00 -0.45 -4.94 105.19 104.11 1njf n GLY 85 Ca 0.14 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1njf n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1njf n ARG 86 N -1.80 0.84 -2.78 1.61 1.85 0.13 -5.00 116.66 111.50 1njf n ARG 86 Ca -0.09 -2.46 -0.42 0.00 -1.00 0.00 0.00 57.85 53.88 1njf n ARG 86 Cb 0.56 -0.96 -0.03 0.00 -1.05 0.00 0.00 32.46 30.97 1njf n ARG 86 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1njf s PHE 87 N -1.76 3.62 0.49 2.89 5.36 -1.02 -4.85 117.98 122.71 1njf s PHE 87 Ca 0.30 1.58 0.23 0.00 -0.96 0.00 0.00 56.93 58.08 1njf s PHE 87 Cb 0.31 -3.06 1.41 0.00 -0.34 0.00 0.00 43.02 41.34 1njf s PHE 87 CO -0.07 -0.02 2.11 -0.24 -1.46 0.00 0.00 175.22 175.55 1njf h VAL 88 N 4.83 0.77 -0.60 3.12 3.04 -1.97 -2.39 116.25 123.06 1njf h VAL 88 Ca -0.40 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1njf h VAL 88 Cb 1.21 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1njf h VAL 88 CO 0.76 0.08 0.00 0.47 -1.01 0.00 0.00 177.57 177.88 1njf n ASP 89 N -4.02 5.22 -3.86 3.17 8.00 -1.26 -4.65 116.55 119.15 1njf n ASP 89 Ca -0.02 -2.69 -0.30 0.00 0.71 0.00 0.00 54.79 52.49 1njf n ASP 89 Cb 0.17 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.50 1njf n ASP 89 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1njf s LEU 90 N -2.28 3.65 -0.42 0.64 2.96 -0.90 0.35 118.68 122.67 1njf s LEU 90 Ca 0.52 -2.73 -0.25 0.00 -0.22 0.00 0.00 54.13 51.45 1njf s LEU 90 Cb 0.37 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.71 1njf s LEU 90 CO 0.20 -0.27 0.91 -0.63 -1.32 0.00 0.00 176.35 175.24 1njf s ILE 91 N 0.14 4.53 -0.25 6.68 -1.09 0.85 -4.72 121.20 127.33 1njf s ILE 91 Ca 0.16 0.89 -0.14 0.00 -2.23 0.00 0.00 60.65 59.33 1njf s ILE 91 Cb -0.24 -4.38 -0.04 0.00 -1.58 0.00 0.00 42.46 36.21 1njf s ILE 91 CO -0.02 -0.71 0.34 -1.61 -1.23 0.00 0.00 174.94 171.72 1njf s GLU 92 N 3.61 4.05 -0.09 2.79 2.02 -1.26 -1.03 118.70 128.78 1njf s GLU 92 Ca 0.37 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.42 1njf s GLU 92 Cb -0.11 -3.62 -0.00 0.00 0.10 0.00 0.00 34.13 30.50 1njf s GLU 92 CO 0.23 -0.19 -0.24 0.42 0.02 0.00 0.00 175.26 175.50 1njf s ILE 93 N 1.79 2.06 -0.67 -1.63 1.01 -0.10 -4.99 121.20 118.67 1njf s ILE 93 Ca 0.14 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1njf s ILE 93 Cb -0.15 -1.77 0.17 0.00 0.01 0.00 0.00 42.46 40.72 1njf s ILE 93 CO 0.09 0.56 0.51 -0.62 0.00 0.00 0.00 174.94 175.49 1njf s ASP 94 N 0.24 5.53 0.28 3.58 2.15 -1.26 -0.86 116.67 126.32 1njf s ASP 94 Ca -0.16 -2.87 0.21 0.00 0.43 0.00 0.00 52.55 50.17 1njf s ASP 94 Cb -0.17 -1.92 1.04 0.00 -0.30 0.00 0.00 42.92 41.57 1njf s ASP 94 CO 0.08 -0.40 1.64 0.00 -0.17 0.00 0.00 175.17 176.33 1njf n ALA 95 N 3.52 1.27 1.27 3.66 0.00 -0.99 -1.51 120.51 127.74 1njf n ALA 95 Ca 0.10 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1njf n ALA 95 Cb 0.39 -1.33 0.32 0.00 0.00 0.00 0.00 19.45 18.84 1njf n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1njf n ALA 96 N -1.76 2.51 -2.52 0.00 0.00 -1.26 -4.43 120.51 113.06 1njf n ALA 96 Ca -0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1njf n ALA 96 Cb 0.10 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 1njf n ALA 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1njf s SER 97 N -1.40 6.12 0.26 0.00 0.15 -0.57 -4.92 113.70 113.34 1njf s SER 97 Ca 0.28 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1njf s SER 97 Cb 0.15 -2.17 0.31 0.00 -1.71 0.00 0.00 66.02 62.60 1njf s SER 97 CO 0.22 -0.33 1.87 0.03 1.20 0.00 0.00 173.24 176.24 1njf h ARG 98 N 8.52 1.12 -0.99 5.44 3.08 -1.88 -2.60 114.38 127.08 1njf h ARG 98 Ca -0.30 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.66 1njf h ARG 98 Cb 1.14 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 1njf h ARG 98 CO 0.68 0.84 0.64 1.15 -1.07 0.00 0.00 179.97 182.21 1njf h THR 99 N 1.13 1.14 -0.16 2.04 2.02 -1.95 -2.99 112.91 114.12 1njf h THR 99 Ca 0.28 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1njf h THR 99 Cb 0.06 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1njf h THR 99 CO -0.04 0.22 0.00 0.29 0.37 0.00 0.00 175.52 176.36 1njf n LYS 100 N -4.48 2.01 -0.32 6.66 4.76 -1.00 -4.61 118.16 121.17 1njf n LYS 100 Ca 0.14 -1.50 0.22 0.00 -2.87 0.00 0.00 58.31 54.30 1njf n LYS 100 Cb 0.13 -1.45 0.42 0.00 -1.84 0.00 0.00 35.03 32.28 1njf n LYS 100 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1njf n VAL 101 N 0.75 -0.41 0.22 -0.18 0.31 -1.07 -0.60 118.33 117.36 1njf n VAL 101 Ca 0.17 2.05 0.12 0.00 -0.01 0.00 0.00 64.34 66.68 1njf n VAL 101 Cb 0.45 -3.15 0.24 0.00 -0.91 0.00 0.00 33.84 30.47 1njf n VAL 101 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1njf h GLU 102 N 0.00 0.00 0.12 5.55 4.81 -1.85 -2.94 114.58 120.27 1njf h GLU 102 Ca 0.70 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.56 1njf h GLU 102 Cb 1.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1njf h GLU 102 CO -0.83 0.02 -2.02 -0.25 -0.73 0.00 0.00 179.01 175.20 1njf n ASP 103 N -3.11 2.12 -0.14 1.04 8.00 0.23 -3.50 116.55 121.19 1njf n ASP 103 Ca 0.03 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.71 1njf n ASP 103 Cb 0.51 -0.84 0.22 0.00 -0.02 0.00 0.00 41.12 40.99 1njf n ASP 103 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1njf h THR 104 N 0.05 1.21 -0.68 -3.53 1.35 -1.42 -0.11 112.91 109.78 1njf h THR 104 Ca -0.43 -0.67 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 1njf h THR 104 Cb 2.02 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 1njf h THR 104 CO 0.07 0.26 0.20 -0.09 -0.25 0.00 0.00 175.52 175.72 1njf h ARG 105 N 0.82 1.06 -0.04 4.72 2.43 -1.66 -2.33 114.38 119.38 1njf h ARG 105 Ca 0.19 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1njf h ARG 105 Cb 0.18 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1njf h ARG 105 CO -0.02 0.93 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.85 1njf h ASP 106 N 1.00 0.13 -0.85 -3.80 3.45 -1.49 -2.54 116.42 112.32 1njf h ASP 106 Ca 0.22 -0.58 0.15 0.00 0.43 0.00 0.00 57.03 57.25 1njf h ASP 106 Cb 0.31 -0.04 -0.09 0.00 -0.56 0.00 0.00 39.33 38.95 1njf h ASP 106 CO -0.01 0.68 0.44 -0.07 -1.57 0.00 0.00 179.24 178.72 1njf h LEU 107 N -0.41 0.54 -0.66 1.55 3.38 -1.02 -0.92 115.31 117.77 1njf h LEU 107 Ca 0.00 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1njf h LEU 107 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1njf h LEU 107 CO 0.02 0.23 -0.51 -0.07 0.09 0.00 0.00 178.44 178.20 1njf h LEU 108 N 0.64 0.00 0.00 1.67 3.38 -1.44 -3.14 115.31 116.41 1njf h LEU 108 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1njf h LEU 108 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1njf h LEU 108 CO -0.36 0.51 -0.32 0.47 0.09 0.00 0.00 178.44 178.84 1njf n ASP 109 N -3.53 0.35 -3.25 -0.43 10.43 -0.46 -4.27 116.55 115.39 1njf n ASP 109 Ca -0.00 0.08 -0.25 0.00 2.57 0.00 0.00 54.79 57.19 1njf n ASP 109 Cb 0.61 -0.06 -0.07 0.00 1.84 0.00 0.00 41.12 43.44 1njf n ASP 109 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1njf n ASN 110 N -1.58 1.79 -4.72 -2.24 3.02 -0.54 -5.08 115.26 105.90 1njf n ASN 110 Ca 0.06 -3.06 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 1njf n ASN 110 Cb 0.35 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1njf n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1njf s VAL 111 N -2.01 2.34 -1.22 2.41 1.01 -1.24 -4.85 120.40 116.84 1njf s VAL 111 Ca 0.38 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 1njf s VAL 111 Cb 0.19 -3.16 0.16 0.00 0.00 0.00 0.00 36.38 33.57 1njf s VAL 111 CO -0.08 0.02 1.46 -1.10 0.00 0.00 0.00 175.10 175.41 1njf s GLN 112 N 0.96 4.09 0.27 2.72 -1.52 -1.26 -4.85 119.66 120.07 1njf s GLN 112 Ca 0.71 -2.55 0.11 0.00 -1.95 0.00 0.00 55.36 51.68 1njf s GLN 112 Cb -0.46 -5.10 0.60 0.00 -0.22 0.00 0.00 33.01 27.83 1njf s GLN 112 CO 0.33 -1.80 1.22 0.66 -0.25 0.00 0.00 175.29 175.45 1njf n TYR 113 N 5.84 0.38 -4.04 0.91 4.02 -1.26 -4.44 117.16 118.56 1njf n TYR 113 Ca 0.38 0.20 -0.31 0.00 -0.01 0.00 0.00 57.90 58.16 1njf n TYR 113 Cb 0.43 -0.61 -0.16 0.00 -0.02 0.00 0.00 39.34 38.97 1njf n TYR 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1njf s ALA 114 N -3.21 2.00 0.25 -0.72 0.00 -1.26 -4.38 121.76 114.44 1njf s ALA 114 Ca -0.01 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1njf s ALA 114 Cb 0.03 -1.12 -0.10 0.00 0.00 0.00 0.00 23.12 21.93 1njf s ALA 114 CO 0.10 -0.45 1.44 -2.14 0.00 0.00 0.00 175.76 174.71 1njf s PRO 115 N 1.42 4.27 -0.09 0.00 0.02 -1.26 -4.94 135.00 134.42 1njf s PRO 115 Ca 0.04 2.30 -0.26 0.00 0.02 0.00 0.00 61.00 63.10 1njf s PRO 115 Cb -0.13 -3.11 -0.27 0.00 0.02 0.00 0.00 34.50 31.01 1njf s PRO 115 CO -0.11 -0.42 0.87 0.00 -0.33 0.00 0.00 177.00 177.02 1njf h ALA 116 N 5.05 -0.02 0.00 -1.55 0.00 -1.93 -3.44 119.26 117.37 1njf h ALA 116 Ca -0.46 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1njf h ALA 116 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1njf h ALA 116 CO 0.78 0.12 -0.94 -2.13 0.00 0.00 0.00 179.25 177.08 1njf n ARG 117 N -4.45 0.00 -1.08 0.00 0.63 -1.26 -5.08 116.66 105.41 1njf n ARG 117 Ca -0.11 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.53 1njf n ARG 117 Cb 0.58 -0.58 0.20 0.00 0.45 0.00 0.00 32.46 33.11 1njf n ARG 117 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1njf s GLY 118 N -4.77 1.56 0.15 5.14 0.00 -1.26 -4.96 107.32 103.18 1njf s GLY 118 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1njf s GLY 118 CO 0.00 0.21 1.37 -0.09 0.00 0.00 0.00 173.10 174.59 1njf h ARG 119 N -2.14 0.46 -5.24 2.90 2.43 -1.86 -3.43 114.38 107.50 1njf h ARG 119 Ca -0.54 -0.41 -0.37 0.00 -0.81 0.00 0.00 59.98 57.85 1njf h ARG 119 Cb 1.33 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 30.82 1njf h ARG 119 CO 0.53 1.05 -0.73 -0.06 -1.51 0.00 0.00 179.97 179.25 1njf s PHE 120 N -3.52 1.35 -0.36 2.20 0.08 -1.26 -4.81 117.98 111.66 1njf s PHE 120 Ca -0.06 -0.66 -0.13 0.00 0.12 0.00 0.00 56.93 56.20 1njf s PHE 120 Cb 0.10 -0.69 -0.00 0.00 -0.57 0.00 0.00 43.02 41.86 1njf s PHE 120 CO 0.86 0.13 0.24 0.21 -0.10 0.00 0.00 175.22 176.56 1njf s LYS 121 N -3.30 3.25 -0.20 0.44 2.47 0.18 -4.84 119.74 117.74 1njf s LYS 121 Ca 0.14 -0.81 -0.07 0.00 -1.56 0.00 0.00 55.97 53.67 1njf s LYS 121 Cb -0.01 -3.81 -0.03 0.00 -1.46 0.00 0.00 37.83 32.51 1njf s LYS 121 CO 0.02 -0.56 0.05 0.08 0.16 0.00 0.00 175.35 175.10 1njf s VAL 122 N 1.68 4.46 -0.23 4.02 1.01 0.16 -1.59 120.40 129.90 1njf s VAL 122 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1njf s VAL 122 Cb -0.18 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1njf s VAL 122 CO 0.09 0.42 0.05 -0.31 0.00 0.00 0.00 175.10 175.35 1njf s TYR 123 N 0.80 3.09 -0.39 5.22 1.51 -0.32 -0.11 117.35 127.16 1njf s TYR 123 Ca 0.03 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1njf s TYR 123 Cb -0.14 -2.17 0.10 0.00 -0.11 0.00 0.00 41.96 39.64 1njf s TYR 123 CO 0.02 -0.26 0.17 -1.17 -1.11 0.00 0.00 175.55 173.20 1njf s LEU 124 N 1.28 5.00 -0.47 -1.29 2.96 -0.20 0.04 118.68 126.00 1njf s LEU 124 Ca 0.04 -1.88 -0.12 0.00 -0.22 0.00 0.00 54.13 51.96 1njf s LEU 124 Cb -0.15 -1.81 0.10 0.00 0.50 0.00 0.00 46.19 44.83 1njf s LEU 124 CO 0.03 -0.49 0.36 -0.63 -1.32 0.00 0.00 176.35 174.30 1njf s ILE 125 N 1.16 4.68 0.29 6.68 1.01 -0.60 -0.92 121.20 133.51 1njf s ILE 125 Ca 0.06 -1.43 -0.28 0.00 0.00 0.00 0.00 60.65 59.00 1njf s ILE 125 Cb -0.22 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 1njf s ILE 125 CO -0.03 -0.66 1.00 -0.62 0.00 0.00 0.00 174.94 174.62 1njf s ASP 126 N 2.68 7.35 -1.32 3.58 3.68 -0.04 -2.11 116.67 130.49 1njf s ASP 126 Ca 0.04 2.04 -0.08 0.00 2.13 0.00 0.00 52.55 56.68 1njf s ASP 126 Cb -0.26 -2.61 -0.00 0.00 -1.45 0.00 0.00 42.92 38.61 1njf s ASP 126 CO 0.03 -0.07 0.54 -0.62 0.13 0.00 0.00 175.17 175.18 1njf n GLU 127 N 1.00 -2.58 0.30 4.34 -0.58 0.10 -2.34 120.64 120.89 1njf n GLU 127 Ca -0.00 0.40 0.19 0.00 -0.42 0.00 0.00 57.16 57.33 1njf n GLU 127 Cb 0.47 -4.32 1.03 0.00 -0.57 0.00 0.00 31.44 28.05 1njf n GLU 127 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1njf h VAL 128 N -1.90 0.21 0.00 2.62 3.04 -1.44 -2.31 116.25 116.48 1njf h VAL 128 Ca -0.64 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1njf h VAL 128 Cb 1.37 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1njf h VAL 128 CO 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.14 1njf n HIS 129 N -3.37 0.00 0.99 3.17 1.44 -1.26 -2.35 115.22 113.83 1njf n HIS 129 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1njf n HIS 129 Cb 0.16 -0.32 0.29 0.00 0.12 0.00 0.00 29.99 30.24 1njf n HIS 129 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1njf n MET 130 N -1.32 2.08 -1.88 -1.40 2.81 -0.87 -4.95 117.12 111.58 1njf n MET 130 Ca 0.08 -1.60 -0.36 0.00 -1.81 0.00 0.00 57.70 54.01 1njf n MET 130 Cb 0.15 -1.46 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 1njf n MET 130 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1njf s LEU 131 N -1.75 3.61 0.65 4.03 1.43 -0.99 -4.81 118.68 120.84 1njf s LEU 131 Ca 0.34 2.47 -0.16 0.00 -1.03 0.00 0.00 54.13 55.76 1njf s LEU 131 Cb 0.20 -4.61 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 1njf s LEU 131 CO 0.30 -1.78 1.13 -0.94 0.23 0.00 0.00 176.35 175.29 1njf s SER 132 N -1.55 5.07 0.31 2.29 1.04 -1.26 -4.74 113.70 114.86 1njf s SER 132 Ca 0.79 2.11 0.07 0.00 0.48 0.00 0.00 55.95 59.40 1njf s SER 132 Cb -0.33 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.00 1njf s SER 132 CO 0.36 -1.66 1.78 0.03 0.98 0.00 0.00 173.24 174.73 1njf h ARG 133 N 0.24 0.71 -0.33 4.02 2.47 -1.99 0.14 114.38 119.64 1njf h ARG 133 Ca -0.48 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.10 1njf h ARG 133 Cb 1.26 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1njf h ARG 133 CO 0.54 0.47 -0.18 1.25 0.56 0.00 0.00 179.97 182.60 1njf h HIS 134 N 0.73 0.82 0.00 3.04 2.76 -2.00 -2.10 115.15 118.40 1njf h HIS 134 Ca 0.58 -0.21 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 1njf h HIS 134 Cb 0.95 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 1njf h HIS 134 CO -0.00 0.93 -0.11 0.77 -1.30 0.00 0.00 177.93 178.22 1njf h SER 135 N 0.47 0.00 0.08 3.26 0.02 -1.65 -2.52 113.55 113.22 1njf h SER 135 Ca 0.07 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.81 1njf h SER 135 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1njf h SER 135 CO 0.05 0.11 -0.81 0.15 -1.14 0.00 0.00 176.83 175.19 1njf h PHE 136 N 0.00 0.82 -0.44 3.45 3.57 -0.52 -2.55 116.94 121.27 1njf h PHE 136 Ca -0.00 -0.38 -0.05 0.00 3.53 0.00 0.00 57.97 61.06 1njf h PHE 136 Cb 0.70 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1njf h PHE 136 CO 0.00 1.19 0.07 -0.91 -2.23 0.00 0.00 178.31 176.42 1njf h ASN 137 N 0.39 0.71 -0.05 0.41 2.35 -1.07 0.35 115.58 118.67 1njf h ASN 137 Ca -0.06 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1njf h ASN 137 Cb 1.42 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 1njf h ASN 137 CO 0.15 0.79 -0.10 0.00 -1.65 0.00 0.00 177.43 176.63 1njf h ALA 138 N 0.94 -0.06 -0.48 -0.83 0.00 -1.44 0.57 119.26 117.95 1njf h ALA 138 Ca 0.13 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1njf h ALA 138 Cb 0.39 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1njf h ALA 138 CO 0.01 -0.57 0.15 1.25 0.00 0.00 0.00 179.25 180.09 1njf h LEU 139 N -0.14 0.13 -0.48 0.00 5.85 -1.29 0.16 115.31 119.53 1njf h LEU 139 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1njf h LEU 139 Cb 0.22 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1njf h LEU 139 CO -0.14 0.10 0.30 0.25 -0.34 0.00 0.00 178.44 178.62 1njf h LEU 140 N 0.31 0.51 -1.19 2.25 6.46 0.02 -0.67 115.31 123.00 1njf h LEU 140 Ca 0.23 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1njf h LEU 140 Cb 0.26 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1njf h LEU 140 CO -0.26 0.37 -0.25 0.11 -0.62 0.00 0.00 178.44 177.79 1njf h LYS 141 N 0.62 0.24 -0.09 1.25 1.79 0.84 -1.89 116.57 119.33 1njf h LYS 141 Ca 0.18 -0.08 -0.15 0.00 -2.18 0.00 0.00 60.65 58.42 1njf h LYS 141 Cb -0.04 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1njf h LYS 141 CO -0.06 0.49 -0.60 1.15 -1.08 0.00 0.00 179.45 179.35 1njf h THR 142 N 0.22 1.37 0.00 -0.16 2.02 -0.34 -2.47 112.91 113.55 1njf h THR 142 Ca 0.04 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1njf h THR 142 Cb 0.57 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1njf h THR 142 CO 0.04 0.58 0.00 0.18 0.37 0.00 0.00 175.52 176.69 1njf n LEU 143 N -3.89 0.71 0.29 2.58 4.77 -0.32 -2.34 117.00 118.80 1njf n LEU 143 Ca -0.03 0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1njf n LEU 143 Cb 0.62 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1njf n LEU 143 CO 0.45 -0.32 0.43 -0.08 -1.33 0.00 0.00 177.39 176.54 1njf h GLU 144 N 0.00 -0.73 -2.63 3.23 4.57 -0.87 -3.33 114.58 114.82 1njf h GLU 144 Ca 0.00 0.05 -0.65 0.00 -1.18 0.00 0.00 59.36 57.58 1njf h GLU 144 Cb 0.57 0.17 -0.39 0.00 -0.16 0.00 0.00 28.75 28.94 1njf h GLU 144 CO 0.00 -0.43 -0.28 -1.91 -1.18 0.00 0.00 179.01 175.21 1njf n GLU 145 N -5.31 2.77 -1.47 1.92 2.13 -1.21 -5.07 120.64 114.41 1njf n GLU 145 Ca -0.11 -4.60 -0.58 0.00 0.66 0.00 0.00 57.16 52.53 1njf n GLU 145 Cb 0.33 -2.33 -0.09 0.00 0.27 0.00 0.00 31.44 29.62 1njf n GLU 145 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1njf n PRO 146 N 1.32 0.53 -1.54 5.31 -0.02 -0.99 -4.89 135.00 134.72 1njf n PRO 146 Ca 0.26 0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 1njf n PRO 146 Cb 0.38 -1.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1njf n PRO 146 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1njf n PRO 147 N 6.73 0.71 -0.09 0.52 -0.02 -1.26 -4.90 135.00 136.69 1njf n PRO 147 Ca 0.42 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1njf n PRO 147 Cb 0.06 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1njf n PRO 147 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1njf h GLU 148 N 0.38 0.37 -0.44 -0.52 4.81 -1.90 -3.24 114.58 114.04 1njf h GLU 148 Ca -0.47 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.49 1njf h GLU 148 Cb 1.38 -0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.52 1njf h GLU 148 CO 0.49 0.24 -0.10 0.72 -0.73 0.00 0.00 179.01 179.63 1njf n HIS 149 N -4.91 1.41 -5.25 0.92 8.25 -1.26 -4.98 115.22 109.39 1njf n HIS 149 Ca -0.01 -1.77 -0.31 0.00 -0.26 0.00 0.00 57.72 55.37 1njf n HIS 149 Cb 0.04 -0.54 -0.16 0.00 1.12 0.00 0.00 29.99 30.45 1njf n HIS 149 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1njf s VAL 150 N -3.49 2.15 -0.00 1.59 1.01 -1.23 0.51 120.40 120.94 1njf s VAL 150 Ca 0.47 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1njf s VAL 150 Cb 0.42 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1njf s VAL 150 CO -0.00 0.58 -0.12 -0.54 0.00 0.00 0.00 175.10 175.01 1njf s LYS 151 N -0.45 0.99 -0.30 2.72 -0.14 -0.62 -4.77 119.74 117.17 1njf s LYS 151 Ca 0.05 -0.47 -0.03 0.00 -1.36 0.00 0.00 55.97 54.16 1njf s LYS 151 Cb -0.11 -0.96 0.04 0.00 -1.68 0.00 0.00 37.83 35.12 1njf s LYS 151 CO 0.01 0.26 0.02 -0.06 -0.76 0.00 0.00 175.35 174.82 1njf s PHE 152 N -0.35 3.24 -0.41 3.18 0.08 -0.41 -1.17 117.98 122.13 1njf s PHE 152 Ca 0.04 -1.71 -0.14 0.00 0.12 0.00 0.00 56.93 55.25 1njf s PHE 152 Cb -0.05 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1njf s PHE 152 CO -0.00 -0.77 0.29 -0.51 -0.10 0.00 0.00 175.22 174.13 1njf s LEU 153 N 1.30 5.13 -0.10 -0.37 1.43 0.11 -1.51 118.68 124.66 1njf s LEU 153 Ca -0.04 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 51.97 1njf s LEU 153 Cb -0.19 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1njf s LEU 153 CO -0.00 -0.48 0.06 -0.76 0.23 0.00 0.00 176.35 175.40 1njf s LEU 154 N 1.63 3.92 0.00 1.79 1.43 0.44 -1.56 118.68 126.34 1njf s LEU 154 Ca 0.04 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1njf s LEU 154 Cb -0.20 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1njf s LEU 154 CO 0.08 0.38 -0.14 0.00 0.23 0.00 0.00 176.35 176.90 1njf s ALA 155 N -0.87 1.13 -0.10 4.21 0.00 -0.90 0.59 121.76 125.82 1njf s ALA 155 Ca 0.13 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 1njf s ALA 155 Cb -0.12 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.81 1njf s ALA 155 CO 0.03 0.26 0.59 -0.08 0.00 0.00 0.00 175.76 176.56 1njf s THR 156 N -0.47 0.01 -0.62 0.00 -1.32 -0.15 0.02 115.64 113.11 1njf s THR 156 Ca 0.04 -0.09 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 1njf s THR 156 Cb -0.06 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1njf s THR 156 CO 0.00 -0.05 1.27 0.71 -2.21 0.00 0.00 174.62 174.34 1njf h THR 157 N 3.54 0.00 -2.45 5.08 1.35 -1.88 -3.01 112.91 115.54 1njf h THR 157 Ca -0.28 -0.51 -0.58 0.00 -0.55 0.00 0.00 66.41 64.49 1njf h THR 157 Cb 1.16 1.06 -0.38 0.00 -1.73 0.00 0.00 68.15 68.25 1njf h THR 157 CO 0.30 0.00 -0.91 -0.62 -0.25 0.00 0.00 175.52 174.05 1njf s ASP 158 N -4.25 2.13 0.22 5.36 2.15 -1.26 -4.65 116.67 116.36 1njf s ASP 158 Ca 0.06 -2.60 -0.08 0.00 0.43 0.00 0.00 52.55 50.36 1njf s ASP 158 Cb 0.13 -0.37 0.29 0.00 -0.30 0.00 0.00 42.92 42.67 1njf s ASP 158 CO 0.73 -0.24 1.79 -0.65 -0.17 0.00 0.00 175.17 176.63 1njf h PRO 159 N 6.33 0.60 0.00 4.34 0.11 -1.98 -2.43 132.00 138.97 1njf h PRO 159 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1njf h PRO 159 Cb 0.94 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1njf h PRO 159 CO 0.31 0.39 0.26 1.04 -0.21 0.00 0.00 178.00 179.79 1njf n GLN 160 N -4.85 0.08 0.11 1.05 3.00 -1.26 -0.13 117.38 115.39 1njf n GLN 160 Ca 0.10 0.55 0.12 0.00 -0.01 0.00 0.00 57.00 57.75 1njf n GLN 160 Cb 0.24 -2.04 0.08 0.00 0.00 0.00 0.00 30.24 28.52 1njf n GLN 160 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1njf h LYS 161 N 0.00 0.00 -6.70 -1.09 6.56 -1.85 -3.46 116.57 110.02 1njf h LYS 161 Ca 0.00 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.09 1njf h LYS 161 Cb 0.52 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1njf h LYS 161 CO 0.00 0.00 0.39 -0.51 -2.06 0.00 0.00 179.45 177.27 1njf s LEU 162 N -5.21 4.58 0.29 2.94 1.43 0.82 -5.02 118.68 118.51 1njf s LEU 162 Ca 0.03 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.82 1njf s LEU 162 Cb 0.10 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 1njf s LEU 162 CO 0.75 0.00 1.30 -2.84 0.23 0.00 0.00 176.35 175.79 1njf s PRO 163 N -0.83 4.39 0.55 1.29 0.02 -1.26 -4.86 135.00 134.31 1njf s PRO 163 Ca 0.44 2.14 0.31 0.00 0.02 0.00 0.00 61.00 63.91 1njf s PRO 163 Cb -0.27 -3.12 1.47 0.00 0.02 0.00 0.00 34.50 32.61 1njf s PRO 163 CO 0.33 -0.18 1.87 -0.39 -0.33 0.00 0.00 177.00 178.31 1njf h VAL 164 N 3.25 0.48 -0.50 3.83 -1.51 -1.97 -0.05 116.25 119.79 1njf h VAL 164 Ca -0.47 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1njf h VAL 164 Cb 1.22 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 1njf h VAL 164 CO 0.69 0.00 0.17 0.71 -1.23 0.00 0.00 177.57 177.91 1njf h THR 165 N 0.00 1.20 0.01 7.19 1.35 -2.00 -0.72 112.91 119.94 1njf h THR 165 Ca 0.38 -0.64 -0.27 0.00 -0.55 0.00 0.00 66.41 65.32 1njf h THR 165 Cb 1.63 0.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1njf h THR 165 CO -0.00 0.25 -1.53 -0.29 -0.25 0.00 0.00 175.52 173.69 1njf h ILE 166 N 0.72 1.06 0.03 6.82 -0.00 -1.41 -3.37 117.51 121.36 1njf h ILE 166 Ca 0.17 -2.88 -0.00 0.00 -0.00 0.00 0.00 64.86 62.15 1njf h ILE 166 Cb 0.19 2.54 0.00 0.00 -0.00 0.00 0.00 36.82 39.54 1njf h ILE 166 CO -0.01 0.62 -0.01 -0.07 -0.00 0.00 0.00 178.15 178.68 1njf h LEU 167 N 0.00 -0.03 0.00 2.19 3.38 -0.97 -2.94 115.31 116.94 1njf h LEU 167 Ca -0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1njf h LEU 167 Cb 1.95 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1njf h LEU 167 CO 0.09 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.16 1njf n SER 168 N -5.06 0.00 -0.59 -0.43 3.41 -0.31 -1.63 113.62 109.02 1njf n SER 168 Ca -0.08 -0.33 0.07 0.00 -0.26 0.00 0.00 58.87 58.28 1njf n SER 168 Cb 0.09 -0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.20 1njf n SER 168 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1njf n ARG 169 N -1.02 2.64 -4.26 4.33 1.74 -1.11 -5.00 116.66 113.98 1njf n ARG 169 Ca 0.08 -2.45 -0.22 0.00 -0.77 0.00 0.00 57.85 54.49 1njf n ARG 169 Cb 0.04 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 1njf n ARG 169 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njf s LEU 171 N -1.87 4.40 -0.05 0.00 2.96 -0.47 -4.87 118.68 118.78 1njf s LEU 171 Ca 0.04 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 1njf s LEU 171 Cb -0.10 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 1njf s LEU 171 CO 0.04 -0.65 0.50 -1.10 -1.32 0.00 0.00 176.35 173.82 1njf s GLN 172 N 2.67 4.23 -0.14 1.98 -0.21 -1.26 -0.42 119.66 126.52 1njf s GLN 172 Ca 0.22 0.53 0.01 0.00 0.02 0.00 0.00 55.36 56.14 1njf s GLN 172 Cb -0.15 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.53 1njf s GLN 172 CO 0.16 0.36 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.49 1njf s PHE 173 N -0.08 2.09 -0.42 0.91 0.08 0.11 -4.95 117.98 115.73 1njf s PHE 173 Ca 0.27 -1.12 -0.17 0.00 0.12 0.00 0.00 56.93 56.03 1njf s PHE 173 Cb -0.17 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1njf s PHE 173 CO 0.13 -0.61 0.42 -1.01 -0.10 0.00 0.00 175.22 174.05 1njf s HIS 174 N 1.37 3.18 0.26 0.36 3.76 -1.26 -1.45 115.29 121.51 1njf s HIS 174 Ca 0.02 -0.38 -0.21 0.00 -0.15 0.00 0.00 55.06 54.34 1njf s HIS 174 Cb -0.13 -2.85 -0.09 0.00 1.11 0.00 0.00 32.58 30.62 1njf s HIS 174 CO -0.08 -0.67 0.78 -0.51 -0.85 0.00 0.00 174.74 173.40 1njf s LEU 175 N 2.08 4.31 -0.07 0.89 1.43 0.20 -4.95 118.68 122.57 1njf s LEU 175 Ca 0.11 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1njf s LEU 175 Cb -0.17 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1njf s LEU 175 CO 0.13 -0.01 0.17 -0.54 0.23 0.00 0.00 176.35 176.32 1njf s LYS 176 N -2.08 3.46 0.56 1.70 1.02 -1.26 -4.47 119.74 118.67 1njf s LYS 176 Ca 0.46 -0.18 -0.21 0.00 0.02 0.00 0.00 55.97 56.06 1njf s LYS 176 Cb -0.16 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1njf s LYS 176 CO 0.21 0.73 1.30 0.00 -0.92 0.00 0.00 175.35 176.68 1njf s ALA 177 N -1.15 2.72 0.29 5.17 0.00 -1.26 -4.92 121.76 122.62 1njf s ALA 177 Ca 0.20 1.22 -0.21 0.00 0.00 0.00 0.00 51.96 53.16 1njf s ALA 177 Cb -0.12 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1njf s ALA 177 CO 0.10 -1.29 0.83 -0.51 0.00 0.00 0.00 175.76 174.89 1njf s LEU 178 N -3.68 4.25 0.57 0.00 2.01 -0.97 -5.04 118.68 115.83 1njf s LEU 178 Ca 0.73 1.57 -0.19 0.00 0.01 0.00 0.00 54.13 56.25 1njf s LEU 178 Cb -0.37 -3.91 -0.04 0.00 0.01 0.00 0.00 46.19 41.88 1njf s LEU 178 CO 0.43 -0.08 1.21 -1.81 1.01 0.00 0.00 176.35 177.11 1njf s ASP 179 N -1.79 5.31 0.26 2.29 -0.00 -1.26 -4.30 116.67 117.17 1njf s ASP 179 Ca 0.49 2.41 -0.03 0.00 -0.00 0.00 0.00 52.55 55.42 1njf s ASP 179 Cb -0.15 -2.60 0.40 0.00 -0.00 0.00 0.00 42.92 40.57 1njf s ASP 179 CO 0.20 -1.52 1.85 0.58 -0.00 0.00 0.00 175.17 176.29 1njf h VAL 180 N 1.04 1.01 -0.25 -1.27 2.07 -1.97 0.25 116.25 117.14 1njf h VAL 180 Ca -0.50 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 1njf h VAL 180 Cb 1.29 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1njf h VAL 180 CO 0.56 0.18 -0.43 -0.33 0.02 0.00 0.00 177.57 177.58 1njf h GLU 181 N 1.01 0.60 -0.65 1.57 4.39 -1.95 0.25 114.58 119.81 1njf h GLU 181 Ca 0.42 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1njf h GLU 181 Cb 0.26 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1njf h GLU 181 CO -0.20 0.92 0.32 1.96 -1.16 0.00 0.00 179.01 180.84 1njf h GLN 182 N 0.49 0.93 -0.03 2.33 4.20 -1.35 0.35 115.11 122.03 1njf h GLN 182 Ca 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1njf h GLN 182 Cb 0.95 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1njf h GLN 182 CO 0.08 0.73 -0.02 0.82 -0.67 0.00 0.00 178.83 179.77 1njf h ILE 183 N 0.89 1.36 -0.37 2.54 2.04 -0.39 -2.71 117.51 120.88 1njf h ILE 183 Ca 0.22 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 65.02 1njf h ILE 183 Cb 0.11 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1njf h ILE 183 CO -0.03 0.30 0.10 -0.09 0.00 0.00 0.00 178.15 178.43 1njf h ARG 184 N -0.37 0.23 -0.44 2.37 2.43 -0.35 -0.57 114.38 117.69 1njf h ARG 184 Ca 0.01 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1njf h ARG 184 Cb 0.50 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1njf h ARG 184 CO 0.01 0.16 0.17 1.25 -1.51 0.00 0.00 179.97 180.05 1njf h HIS 185 N 0.24 0.31 -0.60 2.20 2.76 -0.96 0.33 115.15 119.44 1njf h HIS 185 Ca 0.17 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1njf h HIS 185 Cb 0.17 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1njf h HIS 185 CO -0.17 0.13 0.19 0.37 -1.30 0.00 0.00 177.93 177.15 1njf h GLN 186 N 0.36 0.90 -0.22 5.26 5.75 -1.05 0.20 115.11 126.31 1njf h GLN 186 Ca 0.20 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1njf h GLN 186 Cb 0.18 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1njf h GLN 186 CO -0.19 0.77 0.02 -0.07 -2.65 0.00 0.00 178.83 176.71 1njf h LEU 187 N 0.87 0.36 -0.07 -2.39 3.38 -0.46 0.15 115.31 117.15 1njf h LEU 187 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1njf h LEU 187 Cb 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1njf h LEU 187 CO -0.01 0.56 0.04 -0.08 0.09 0.00 0.00 178.44 179.04 1njf h GLU 188 N 0.15 0.09 -0.39 1.13 4.22 -0.67 0.11 114.58 119.22 1njf h GLU 188 Ca 0.06 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.54 1njf h GLU 188 Cb 0.36 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1njf h GLU 188 CO 0.01 0.06 0.14 1.25 -2.18 0.00 0.00 179.01 178.28 1njf h HIS 189 N 0.09 0.24 -0.30 0.92 2.76 -0.47 -0.94 115.15 117.46 1njf h HIS 189 Ca 0.03 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1njf h HIS 189 Cb -0.01 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1njf h HIS 189 CO -0.08 0.10 0.01 0.82 -1.30 0.00 0.00 177.93 177.48 1njf h ILE 190 N 0.30 1.25 -0.55 6.26 2.04 -0.71 -2.10 117.51 124.00 1njf h ILE 190 Ca 0.18 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1njf h ILE 190 Cb 0.16 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1njf h ILE 190 CO -0.18 0.30 0.21 -0.07 0.00 0.00 0.00 178.15 178.41 1njf h LEU 191 N 0.32 0.72 -0.02 1.44 3.38 -0.62 -1.57 115.31 118.96 1njf h LEU 191 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1njf h LEU 191 Cb 0.42 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1njf h LEU 191 CO 0.01 0.65 0.00 0.78 0.09 0.00 0.00 178.44 179.98 1njf h ASN 192 N 0.78 0.03 0.41 -0.43 2.35 -1.01 -0.53 115.58 117.17 1njf h ASN 192 Ca 0.19 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1njf h ASN 192 Cb 0.16 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1njf h ASN 192 CO -0.02 0.26 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.64 1njf h GLU 193 N -0.20 0.00 0.00 0.81 3.07 -1.18 -0.70 114.58 116.37 1njf h GLU 193 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1njf h GLU 193 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1njf h GLU 193 CO 0.00 0.06 -0.51 0.39 -1.40 0.00 0.00 179.01 177.55 1njf n GLU 194 N -3.37 0.13 -3.45 2.33 -0.58 -0.61 -4.95 120.64 110.15 1njf n GLU 194 Ca -0.02 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.56 1njf n GLU 194 Cb 0.20 -1.59 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 1njf n GLU 194 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1njf n HIS 195 N -1.78 -2.45 -3.72 -0.32 8.25 -0.27 -4.99 115.22 109.94 1njf n HIS 195 Ca 0.05 0.91 -0.38 0.00 -0.26 0.00 0.00 57.72 58.04 1njf n HIS 195 Cb 0.38 -4.75 -0.12 0.00 1.12 0.00 0.00 29.99 26.62 1njf n HIS 195 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1njf s ILE 196 N -3.30 4.21 0.60 1.59 1.01 -0.44 -5.04 121.20 119.81 1njf s ILE 196 Ca 0.37 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 1njf s ILE 196 Cb -0.16 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1njf s ILE 196 CO 0.67 0.05 1.15 0.00 0.00 0.00 0.00 174.94 176.82 1njf n ALA 197 N 4.91 0.79 -3.47 9.38 0.00 -1.26 -4.60 120.51 126.26 1njf n ALA 197 Ca -0.14 0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1njf n ALA 197 Cb 0.48 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 1njf n ALA 197 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1njf s HIS 198 N -1.41 -0.60 -0.01 0.00 -3.43 -1.26 -1.80 115.29 106.79 1njf s HIS 198 Ca 0.77 0.71 0.01 0.00 -0.80 0.00 0.00 55.06 55.74 1njf s HIS 198 Cb -0.41 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 1njf s HIS 198 CO 0.46 -0.74 0.03 -1.21 -2.00 0.00 0.00 174.74 171.28 1njf s GLU 199 N -2.53 2.90 0.14 -0.38 2.02 -0.64 -4.98 118.70 115.23 1njf s GLU 199 Ca -0.05 -0.55 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 1njf s GLU 199 Cb -0.01 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 1njf s GLU 199 CO -0.02 0.64 1.57 -1.35 0.02 0.00 0.00 175.26 176.12 1njf h PRO 200 N 4.29 -0.43 -0.73 0.39 0.11 -2.01 -1.97 132.00 131.66 1njf h PRO 200 Ca -0.49 0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1njf h PRO 200 Cb 1.18 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1njf h PRO 200 CO 0.59 -0.28 0.48 -0.09 -0.21 0.00 0.00 178.00 178.48 1njf h ARG 201 N -0.44 0.77 -0.56 1.05 9.65 -1.97 -2.13 114.38 120.75 1njf h ARG 201 Ca 0.09 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1njf h ARG 201 Cb 0.62 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 1njf h ARG 201 CO -0.48 0.51 0.37 0.00 2.80 0.00 0.00 179.97 183.17 1njf h ALA 202 N 1.60 1.66 0.00 2.80 0.00 -1.68 -2.24 119.26 121.40 1njf h ALA 202 Ca 0.31 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1njf h ALA 202 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1njf h ALA 202 CO -0.10 0.29 -0.70 -0.07 0.00 0.00 0.00 179.25 178.67 1njf h LEU 203 N 0.70 0.00 -0.27 0.00 3.38 -1.25 -2.52 115.31 115.35 1njf h LEU 203 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1njf h LEU 203 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1njf h LEU 203 CO -0.05 0.70 -0.08 1.56 0.09 0.00 0.00 178.44 180.66 1njf h GLN 204 N 0.00 0.53 -0.57 1.13 4.20 -1.31 0.12 115.11 119.21 1njf h GLN 204 Ca -0.01 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1njf h GLN 204 Cb 1.40 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.13 1njf h GLN 204 CO 0.09 0.75 0.37 -0.07 -0.67 0.00 0.00 178.83 179.30 1njf h LEU 205 N 0.28 0.67 -0.31 1.46 3.38 -1.41 0.22 115.31 119.60 1njf h LEU 205 Ca 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1njf h LEU 205 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1njf h LEU 205 CO 0.03 0.50 -0.07 -0.07 0.09 0.00 0.00 178.44 178.92 1njf h LEU 206 N 0.78 0.59 -1.16 1.67 3.38 -1.31 -0.86 115.31 118.40 1njf h LEU 206 Ca 0.21 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1njf h LEU 206 Cb -0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1njf h LEU 206 CO -0.04 0.81 0.34 0.00 0.09 0.00 0.00 178.44 179.64 1njf h ALA 207 N 0.80 1.35 0.25 1.53 0.00 -0.42 -1.30 119.26 121.47 1njf h ALA 207 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1njf h ALA 207 Cb 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1njf h ALA 207 CO 0.03 0.52 -0.12 -0.09 0.00 0.00 0.00 179.25 179.59 1njf h ARG 208 N 0.93 -0.33 0.00 0.00 1.12 -0.44 -3.20 114.38 112.46 1njf h ARG 208 Ca 0.23 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1njf h ARG 208 Cb 0.06 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.09 1njf h ARG 208 CO -0.03 0.02 -0.01 0.00 -3.11 0.00 0.00 179.97 176.84 1njf h ALA 209 N -0.17 1.02 0.00 2.80 0.00 -1.03 -2.52 119.26 119.37 1njf h ALA 209 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1njf h ALA 209 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1njf h ALA 209 CO 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 179.25 179.22 1njf h ALA 210 N 1.99 1.26 -5.98 0.00 0.00 -1.23 -3.47 119.26 111.84 1njf h ALA 210 Ca -0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 54.91 54.43 1njf h ALA 210 Cb 0.20 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.07 1njf h ALA 210 CO 0.00 0.12 -0.84 0.39 0.00 0.00 0.00 179.25 178.92 1njf n GLU 211 N -3.58 -4.29 0.00 0.00 1.02 -0.95 -2.27 120.64 110.57 1njf n GLU 211 Ca -0.02 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1njf n GLU 211 Cb 0.22 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1njf n GLU 211 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1njf n GLY 212 N -1.50 2.91 3.52 0.62 0.00 -1.26 -4.99 105.19 104.49 1njf n GLY 212 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1njf n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1njf s SER 213 N -3.66 6.12 0.54 1.61 0.15 -0.96 -2.28 113.70 115.22 1njf s SER 213 Ca 0.00 -0.46 0.33 0.00 0.70 0.00 0.00 55.95 56.52 1njf s SER 213 Cb 0.00 -2.17 1.29 0.00 -1.71 0.00 0.00 66.02 63.43 1njf s SER 213 CO 0.00 -0.34 1.96 0.25 1.20 0.00 0.00 173.24 176.31 1njf h LEU 214 N 8.66 0.00 0.01 3.45 5.85 -1.54 -1.91 115.31 129.83 1njf h LEU 214 Ca -0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1njf h LEU 214 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1njf h LEU 214 CO 0.69 0.00 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.69 1njf h ARG 215 N 0.00 -0.01 0.00 1.25 1.12 -1.87 -2.48 114.38 112.38 1njf h ARG 215 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1njf h ARG 215 Cb 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 1njf h ARG 215 CO 0.00 0.63 -0.21 -0.44 -3.11 0.00 0.00 179.97 176.85 1njf h ASP 216 N -0.68 0.00 -0.47 -3.80 3.32 -1.84 -0.46 116.42 112.49 1njf h ASP 216 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1njf h ASP 216 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1njf h ASP 216 CO 0.00 0.21 0.02 0.00 -1.72 0.00 0.00 179.24 177.75 1njf h ALA 217 N 1.79 0.63 -0.08 3.45 0.00 -1.32 0.39 119.26 124.12 1njf h ALA 217 Ca -0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1njf h ALA 217 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1njf h ALA 217 CO 0.03 0.42 -0.61 -0.07 0.00 0.00 0.00 179.25 179.01 1njf h LEU 218 N 0.68 0.33 -0.21 0.00 3.38 -0.90 -1.54 115.31 117.05 1njf h LEU 218 Ca 0.14 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1njf h LEU 218 Cb 0.48 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1njf h LEU 218 CO 0.02 0.86 -0.55 -1.28 0.09 0.00 0.00 178.44 177.59 1njf h SER 219 N 0.21 0.84 -0.18 -0.43 0.87 -0.88 0.15 113.55 114.13 1njf h SER 219 Ca -0.01 -0.57 -0.06 0.00 -1.23 0.00 0.00 61.79 59.92 1njf h SER 219 Cb 1.13 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1njf h SER 219 CO 0.10 1.26 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.53 1njf h LEU 220 N 0.46 0.49 -0.28 2.23 3.38 -0.16 -2.13 115.31 119.30 1njf h LEU 220 Ca -0.01 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1njf h LEU 220 Cb 1.16 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1njf h LEU 220 CO 0.12 0.61 -0.32 0.74 0.09 0.00 0.00 178.44 179.68 1njf h THR 221 N 0.48 1.30 -0.81 0.22 2.02 -1.13 -1.36 112.91 113.64 1njf h THR 221 Ca 0.10 -1.50 0.07 0.00 0.77 0.00 0.00 66.41 65.85 1njf h THR 221 Cb 0.42 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 1njf h THR 221 CO 0.02 0.48 0.48 0.44 0.37 0.00 0.00 175.52 177.31 1njf h ASP 222 N 0.45 0.74 0.10 4.18 3.32 -0.64 0.25 116.42 124.83 1njf h ASP 222 Ca 0.04 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1njf h ASP 222 Cb 0.90 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1njf h ASP 222 CO 0.08 0.46 -0.31 -0.61 -1.72 0.00 0.00 179.24 177.14 1njf h GLN 223 N 0.87 0.32 0.03 3.56 4.15 -1.23 -1.95 115.11 120.87 1njf h GLN 223 Ca 0.36 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1njf h GLN 223 Cb 0.22 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1njf h GLN 223 CO -0.19 0.61 -0.02 0.00 -1.93 0.00 0.00 178.83 177.30 1njf h ALA 224 N 1.39 -0.05 -0.83 3.38 0.00 0.06 -2.05 119.26 121.17 1njf h ALA 224 Ca 0.04 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.88 1njf h ALA 224 Cb 0.70 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1njf h ALA 224 CO 0.05 -0.33 0.43 0.82 0.00 0.00 0.00 179.25 180.23 1njf h ILE 225 N -0.44 0.77 0.00 0.00 2.04 -0.41 -0.29 117.51 119.18 1njf h ILE 225 Ca -0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1njf h ILE 225 Cb 0.41 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1njf h ILE 225 CO 0.01 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.28 1njf n ALA 226 N -2.42 -0.08 0.12 1.87 0.00 -0.75 -1.17 120.51 118.08 1njf n ALA 226 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1njf n ALA 226 Cb 0.39 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.07 1njf n ALA 226 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1njf n SER 227 N -0.80 0.22 -1.97 0.00 3.41 -0.78 -0.82 113.62 112.88 1njf n SER 227 Ca 0.00 0.45 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 1njf n SER 227 Cb 0.00 -0.40 0.17 0.00 -0.26 0.00 0.00 64.21 63.72 1njf n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1njf n GLY 228 N -1.27 4.77 3.88 5.00 0.00 -0.12 -4.94 105.19 112.50 1njf n GLY 228 Ca -0.01 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1njf n GLY 228 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1njf n ASP 229 N -1.11 -0.03 0.00 1.61 4.64 0.00 -0.54 116.55 121.11 1njf n ASP 229 Ca 0.53 -0.97 0.00 0.00 -1.38 0.00 0.00 54.79 52.97 1njf n ASP 229 Cb 1.41 -1.22 0.00 0.00 -1.04 0.00 0.00 41.12 40.27 1njf n ASP 229 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1njf n GLY 230 N -1.76 1.88 3.57 0.27 0.00 -0.32 -5.07 105.19 103.77 1njf n GLY 230 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1njf n GLY 230 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1njf s GLN 231 N -0.92 2.07 -0.98 1.61 -0.21 0.30 -4.48 119.66 117.06 1njf s GLN 231 Ca 0.00 -1.14 -0.04 0.00 0.02 0.00 0.00 55.36 54.19 1njf s GLN 231 Cb 0.00 -2.23 0.25 0.00 1.00 0.00 0.00 33.01 32.03 1njf s GLN 231 CO 0.00 0.47 0.93 0.28 -2.12 0.00 0.00 175.29 174.86 1njf n VAL 232 N 0.41 3.66 -3.30 1.09 0.31 -0.74 -4.42 118.33 115.33 1njf n VAL 232 Ca -0.12 -5.25 -0.29 0.00 -0.01 0.00 0.00 64.34 58.66 1njf n VAL 232 Cb 0.54 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 1njf n VAL 232 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1njf s SER 233 N 0.22 6.47 0.22 4.52 1.04 -1.26 -1.62 113.70 123.29 1njf s SER 233 Ca 0.29 0.77 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 1njf s SER 233 Cb -0.07 -2.17 0.18 0.00 0.10 0.00 0.00 66.02 64.06 1njf s SER 233 CO -0.10 -0.20 1.87 0.74 0.98 0.00 0.00 173.24 176.53 1njf h THR 234 N 1.40 1.22 0.65 2.02 2.02 -1.93 -1.77 112.91 116.52 1njf h THR 234 Ca -0.47 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1njf h THR 234 Cb 1.19 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1njf h THR 234 CO 0.66 0.22 -0.31 -0.61 0.37 0.00 0.00 175.52 175.85 1njf h GLN 235 N 1.10 -0.84 -0.05 6.66 4.15 -1.99 -0.50 115.11 123.64 1njf h GLN 235 Ca 0.29 0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.78 1njf h GLN 235 Cb -0.08 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1njf h GLN 235 CO -0.06 -0.54 0.06 0.00 -1.93 0.00 0.00 178.83 176.35 1njf h ALA 236 N -0.61 1.61 0.14 3.38 0.00 -1.94 -2.07 119.26 119.77 1njf h ALA 236 Ca -0.09 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1njf h ALA 236 Cb 0.69 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1njf h ALA 236 CO 0.15 -0.08 -1.25 0.28 0.00 0.00 0.00 179.25 178.34 1njf h VAL 237 N 0.00 1.20 -0.80 0.00 2.07 -1.06 -3.04 116.25 114.62 1njf h VAL 237 Ca 0.02 -2.48 0.01 0.00 0.82 0.00 0.00 66.70 65.07 1njf h VAL 237 Cb 0.14 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1njf h VAL 237 CO -0.00 0.73 0.52 0.28 0.02 0.00 0.00 177.57 179.12 1njf h SER 238 N -0.26 0.93 1.08 0.57 0.02 -0.74 0.15 113.55 115.30 1njf h SER 238 Ca -0.25 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1njf h SER 238 Cb 1.79 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 1njf h SER 238 CO 0.12 0.69 -0.06 0.00 -1.14 0.00 0.00 176.83 176.44 1njf h ALA 239 N 1.29 1.01 0.12 3.77 0.00 -1.52 -2.64 119.26 121.29 1njf h ALA 239 Ca 0.29 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.83 1njf h ALA 239 Cb -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1njf h ALA 239 CO -0.06 0.07 -1.68 1.98 0.00 0.00 0.00 179.25 179.57 1njf h MET 240 N 0.00 0.26 0.00 0.00 -1.53 -1.16 -3.34 114.93 109.17 1njf h MET 240 Ca -0.00 -0.45 0.00 0.00 -3.44 0.00 0.00 59.70 55.81 1njf h MET 240 Cb 0.61 0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.83 1njf h MET 240 CO 0.01 1.12 -0.05 1.28 0.14 0.00 0.00 176.91 179.40 1njf n LEU 241 N -3.45 0.17 -1.85 3.39 4.77 -0.06 -4.91 117.00 115.06 1njf n LEU 241 Ca -0.21 0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 1njf n LEU 241 Cb 1.05 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1njf n LEU 241 CO 0.49 -0.02 -0.22 0.61 -1.33 0.00 0.00 177.39 176.93 1njf n GLY 242 N 1.47 1.15 0.00 -0.72 0.00 -1.00 -5.09 105.19 101.00 1njf n GLY 242 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1njf n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73