#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0j s HIS 2 N 0.00 2.66 0.01 5.64 3.76 -1.26 -5.13 115.29 120.97 1n0j s HIS 2 Ca 0.00 -0.19 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 1n0j s HIS 2 Cb 0.00 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 1n0j s HIS 2 CO 0.00 0.18 -0.18 -1.12 -0.85 0.00 0.00 174.74 172.77 1n0j s SER 3 N -0.81 2.16 -0.08 1.40 0.01 -1.26 -4.92 113.70 110.19 1n0j s SER 3 Ca 0.12 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1n0j s SER 3 Cb -0.11 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 1n0j s SER 3 CO 0.01 0.18 1.66 -0.22 0.41 0.00 0.00 173.24 175.28 1n0j s LEU 4 N -0.72 4.25 0.62 2.44 2.96 -1.26 -4.99 118.68 121.99 1n0j s LEU 4 Ca 0.06 2.15 -0.18 0.00 -0.22 0.00 0.00 54.13 55.94 1n0j s LEU 4 Cb -0.08 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1n0j s LEU 4 CO 0.00 -0.99 1.19 -2.16 -1.32 0.00 0.00 176.35 173.07 1n0j s PRO 5 N 4.17 2.83 0.16 0.98 0.04 -1.26 -4.99 135.00 136.93 1n0j s PRO 5 Ca 0.74 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.22 1n0j s PRO 5 Cb -0.32 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 1n0j s PRO 5 CO 0.30 -1.30 1.02 -0.51 0.04 0.00 0.00 177.00 176.54 1n0j s ASP 6 N -1.81 7.43 0.26 6.66 -0.00 -1.26 -4.99 116.67 122.95 1n0j s ASP 6 Ca 0.75 1.94 -0.31 0.00 -0.00 0.00 0.00 52.55 54.94 1n0j s ASP 6 Cb -0.28 -2.60 -0.12 0.00 -0.00 0.00 0.00 42.92 39.92 1n0j s ASP 6 CO 0.36 -0.09 1.66 -0.11 -0.00 0.00 0.00 175.17 176.99 1n0j n LEU 7 N 2.39 4.24 -0.52 1.23 7.94 -1.26 -4.87 117.00 126.14 1n0j n LEU 7 Ca 0.02 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1n0j n LEU 7 Cb 0.48 -1.59 0.01 0.00 0.53 0.00 0.00 43.42 42.84 1n0j n LEU 7 CO 0.52 0.19 0.26 -0.81 -1.11 0.00 0.00 177.39 176.44 1n0j n PRO 8 N 3.00 1.06 -3.45 1.96 -0.04 -1.26 -4.78 135.00 131.48 1n0j n PRO 8 Ca 0.12 -0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1n0j n PRO 8 Cb 0.36 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 1n0j n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1n0j s TYR 9 N -1.02 -0.49 0.51 0.54 1.13 -1.26 -5.08 117.35 111.68 1n0j s TYR 9 Ca 0.01 0.36 -0.19 0.00 -1.41 0.00 0.00 57.07 55.83 1n0j s TYR 9 Cb 0.01 0.54 -0.07 0.00 -1.10 0.00 0.00 41.96 41.33 1n0j s TYR 9 CO 0.00 -0.73 1.05 0.34 -2.51 0.00 0.00 175.55 173.70 1n0j s ASP 10 N -2.53 6.17 0.39 -0.18 2.15 -1.26 -4.94 116.67 116.48 1n0j s ASP 10 Ca 0.01 1.94 0.19 0.00 0.43 0.00 0.00 52.55 55.12 1n0j s ASP 10 Cb -0.01 -2.56 1.12 0.00 -0.30 0.00 0.00 42.92 41.17 1n0j s ASP 10 CO -0.10 -0.90 1.74 1.88 -0.17 0.00 0.00 175.17 177.62 1n0j h TYR 11 N 1.32 0.70 0.00 -5.34 0.05 -1.95 0.09 116.97 111.84 1n0j h TYR 11 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1n0j h TYR 11 Cb 1.23 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1n0j h TYR 11 CO 0.56 0.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.10 1n0j n GLY 12 N -1.45 -1.38 0.24 3.88 0.00 -1.26 -3.97 105.19 101.25 1n0j n GLY 12 Ca 0.27 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1n0j n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0j h ALA 13 N 2.82 1.00 -0.52 4.61 0.00 -1.33 -2.99 119.26 122.84 1n0j h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n0j h ALA 13 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n0j h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1n0j n LEU 14 N -2.74 4.02 -4.69 0.00 4.77 -1.26 -4.56 117.00 112.54 1n0j n LEU 14 Ca -0.00 -2.35 -0.37 0.00 -0.03 0.00 0.00 56.01 53.26 1n0j n LEU 14 Cb 0.17 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1n0j n LEU 14 CO 0.20 0.79 0.77 -0.62 -1.33 0.00 0.00 177.39 177.21 1n0j n GLU 15 N 0.78 0.94 0.00 3.23 -0.58 -1.13 0.05 120.64 123.92 1n0j n GLU 15 Ca 0.21 0.38 0.03 0.00 -0.42 0.00 0.00 57.16 57.36 1n0j n GLU 15 Cb 0.73 -2.41 0.17 0.00 -0.57 0.00 0.00 31.44 29.36 1n0j n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1n0j n PRO 16 N -1.78 0.98 -0.02 3.49 -0.04 -1.26 -4.82 135.00 131.54 1n0j n PRO 16 Ca 0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1n0j n PRO 16 Cb 0.48 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1n0j n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n0j h HIS 17 N 0.00 -0.06 -3.34 0.54 3.86 -0.75 -3.42 115.15 111.99 1n0j h HIS 17 Ca 0.00 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1n0j h HIS 17 Cb 0.00 0.02 -0.34 0.00 1.06 0.00 0.00 27.41 28.15 1n0j h HIS 17 CO 0.00 0.58 -0.84 0.42 0.86 0.00 0.00 177.93 178.94 1n0j s ILE 18 N -3.03 1.56 0.57 2.45 1.01 -0.34 -4.84 121.20 118.58 1n0j s ILE 18 Ca -0.15 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1n0j s ILE 18 Cb -0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1n0j s ILE 18 CO 0.57 0.45 0.93 0.54 0.00 0.00 0.00 174.94 177.44 1n0j s ASN 19 N 0.68 6.15 0.34 3.58 2.20 -1.26 -2.91 114.94 123.71 1n0j s ASN 19 Ca -0.13 1.17 0.05 0.00 -0.94 0.00 0.00 52.86 53.00 1n0j s ASN 19 Cb -0.16 -2.30 0.68 0.00 -2.00 0.00 0.00 41.25 37.46 1n0j s ASN 19 CO 0.03 -0.80 1.92 0.00 -2.94 0.00 0.00 177.10 175.31 1n0j h ALA 20 N -0.12 1.66 -0.34 3.54 0.00 -1.86 -2.41 119.26 119.73 1n0j h ALA 20 Ca -0.45 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1n0j h ALA 20 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1n0j h ALA 20 CO 0.62 0.19 -0.34 0.37 0.00 0.00 0.00 179.25 180.08 1n0j h GLN 21 N 0.84 0.83 -0.17 0.00 4.15 -1.93 -1.99 115.11 116.84 1n0j h GLN 21 Ca 0.37 -0.44 0.03 0.00 0.77 0.00 0.00 58.65 59.39 1n0j h GLN 21 Cb 0.35 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1n0j h GLN 21 CO -0.15 1.08 -0.03 0.82 -1.93 0.00 0.00 178.83 178.62 1n0j h ILE 22 N 0.61 0.84 -0.85 2.39 2.04 -1.89 -1.99 117.51 118.66 1n0j h ILE 22 Ca 0.05 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1n0j h ILE 22 Cb 0.93 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 1n0j h ILE 22 CO 0.08 0.00 0.52 0.24 0.00 0.00 0.00 178.15 179.00 1n0j h MET 23 N 0.02 0.90 0.29 2.37 2.86 -1.32 0.21 114.93 120.26 1n0j h MET 23 Ca 0.08 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1n0j h MET 23 Cb 0.12 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1n0j h MET 23 CO -0.17 0.60 -0.14 1.96 1.06 0.00 0.00 176.91 180.22 1n0j h GLN 24 N 0.93 -0.37 0.30 1.72 4.20 -1.24 -2.21 115.11 118.43 1n0j h GLN 24 Ca 0.38 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1n0j h GLN 24 Cb 0.21 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1n0j h GLN 24 CO -0.19 -0.09 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.51 1n0j h LEU 25 N -0.64 -0.81 -0.59 1.46 3.38 -1.08 0.51 115.31 117.54 1n0j h LEU 25 Ca -0.04 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1n0j h LEU 25 Cb 0.45 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 1n0j h LEU 25 CO 0.06 -0.43 -0.09 -0.74 0.09 0.00 0.00 178.44 177.34 1n0j h HIS 26 N -0.63 -0.20 0.16 1.13 2.76 -0.68 0.17 115.15 117.86 1n0j h HIS 26 Ca -0.01 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1n0j h HIS 26 Cb 0.58 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1n0j h HIS 26 CO -0.19 -0.22 -0.08 1.25 -1.30 0.00 0.00 177.93 177.40 1n0j h HIS 27 N 0.04 -0.20 0.00 5.26 -0.00 -1.30 0.19 115.15 119.14 1n0j h HIS 27 Ca 0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 1n0j h HIS 27 Cb 0.46 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 1n0j h HIS 27 CO -0.43 -0.12 0.00 0.66 -0.00 0.00 0.00 177.93 178.04 1n0j h SER 28 N -1.02 0.00 0.00 3.26 4.64 -0.86 -2.41 113.55 117.16 1n0j h SER 28 Ca -0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1n0j h SER 28 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1n0j h SER 28 CO 0.04 0.00 -1.22 0.29 -0.87 0.00 0.00 176.83 175.06 1n0j n LYS 29 N -2.70 0.09 -0.04 4.77 4.01 0.41 -4.41 118.16 120.28 1n0j n LYS 29 Ca 0.03 0.03 -0.12 0.00 -0.51 0.00 0.00 58.31 57.75 1n0j n LYS 29 Cb 0.40 -0.78 -0.11 0.00 -0.51 0.00 0.00 35.03 34.04 1n0j n LYS 29 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1n0j h HIS 30 N -0.10 -0.03 -0.23 2.13 3.86 -0.53 -2.88 115.15 117.37 1n0j h HIS 30 Ca -0.10 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.98 1n0j h HIS 30 Cb 1.10 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1n0j h HIS 30 CO -0.01 0.70 -0.39 1.25 0.86 0.00 0.00 177.93 180.35 1n0j h HIS 31 N -0.87 0.83 -0.97 2.45 -0.00 -0.58 -2.87 115.15 113.14 1n0j h HIS 31 Ca -0.00 -0.29 0.18 0.00 -0.00 0.00 0.00 60.37 60.26 1n0j h HIS 31 Cb 0.74 -0.16 -0.11 0.00 -0.00 0.00 0.00 27.41 27.89 1n0j h HIS 31 CO 0.19 1.05 0.57 0.00 -0.00 0.00 0.00 177.93 179.74 1n0j h ALA 32 N 0.63 1.59 -0.91 5.26 0.00 -1.57 -1.75 119.26 122.52 1n0j h ALA 32 Ca 0.02 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n0j h ALA 32 Cb 0.98 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1n0j h ALA 32 CO 0.09 -0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.87 1n0j h ALA 33 N 1.63 1.18 0.07 0.00 0.00 -1.28 -2.72 119.26 118.16 1n0j h ALA 33 Ca 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1n0j h ALA 33 Cb 0.86 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n0j h ALA 33 CO -0.39 0.50 -0.03 1.88 0.00 0.00 0.00 179.25 181.21 1n0j h TYR 34 N 1.19 -0.09 -0.48 0.00 0.05 -1.27 -1.39 116.97 114.97 1n0j h TYR 34 Ca 0.35 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.20 1n0j h TYR 34 Cb -0.06 0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 1n0j h TYR 34 CO -0.01 0.10 0.13 0.28 -1.05 0.00 0.00 178.16 177.62 1n0j h VAL 35 N -0.27 0.79 -0.41 -2.88 2.07 -1.39 0.71 116.25 114.87 1n0j h VAL 35 Ca -0.01 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 1n0j h VAL 35 Cb 0.23 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1n0j h VAL 35 CO 0.02 0.05 -0.32 0.78 0.02 0.00 0.00 177.57 178.12 1n0j h ASN 36 N 0.29 0.99 0.19 0.57 -0.26 -1.37 -1.01 115.58 114.98 1n0j h ASN 36 Ca 0.23 -0.44 -0.20 0.00 -0.56 0.00 0.00 56.30 55.33 1n0j h ASN 36 Cb 0.27 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1n0j h ASN 36 CO -0.27 1.22 -0.78 0.78 -1.06 0.00 0.00 177.43 177.32 1n0j h ASN 37 N 0.77 0.59 -0.45 5.81 2.35 -0.86 -2.41 115.58 121.37 1n0j h ASN 37 Ca 0.08 -0.40 0.09 0.00 -0.55 0.00 0.00 56.30 55.52 1n0j h ASN 37 Cb 0.91 -0.17 -0.09 0.00 0.05 0.00 0.00 38.32 39.01 1n0j h ASN 37 CO 0.08 1.16 -0.14 0.25 -1.65 0.00 0.00 177.43 177.14 1n0j h LEU 38 N 0.32 -0.50 -0.71 1.61 5.85 -0.73 -0.30 115.31 120.85 1n0j h LEU 38 Ca -0.05 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1n0j h LEU 38 Cb 1.38 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 1n0j h LEU 38 CO 0.14 -0.17 0.41 0.78 -0.34 0.00 0.00 178.44 179.25 1n0j h ASN 39 N -0.03 0.61 -0.23 1.25 2.35 -0.86 -0.01 115.58 118.66 1n0j h ASN 39 Ca 0.22 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.89 1n0j h ASN 39 Cb 0.37 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1n0j h ASN 39 CO -0.48 0.39 -0.21 0.58 -1.65 0.00 0.00 177.43 176.06 1n0j h VAL 40 N 0.74 1.27 -0.09 2.81 2.07 -0.89 -2.65 116.25 119.52 1n0j h VAL 40 Ca 0.32 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 1n0j h VAL 40 Cb 0.19 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1n0j h VAL 40 CO -0.18 0.42 -0.31 0.74 0.02 0.00 0.00 177.57 178.26 1n0j h THR 41 N 0.61 1.41 -0.92 2.57 2.02 0.16 -2.08 112.91 116.67 1n0j h THR 41 Ca 0.09 -1.67 0.12 0.00 0.77 0.00 0.00 66.41 65.71 1n0j h THR 41 Cb 0.68 2.24 -0.08 0.00 -1.74 0.00 0.00 68.15 69.25 1n0j h THR 41 CO 0.05 0.48 0.55 -0.33 0.37 0.00 0.00 175.52 176.64 1n0j h GLU 42 N -0.10 0.85 -0.18 6.66 5.08 -1.00 0.35 114.58 126.23 1n0j h GLU 42 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1n0j h GLU 42 Cb 0.94 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1n0j h GLU 42 CO 0.07 0.56 -0.00 1.49 -1.00 0.00 0.00 179.01 180.12 1n0j h GLU 43 N 0.87 0.32 0.00 2.33 4.81 -1.46 -0.52 114.58 120.93 1n0j h GLU 43 Ca 0.46 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1n0j h GLU 43 Cb 0.47 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1n0j h GLU 43 CO -0.27 0.53 -0.28 0.87 -0.73 0.00 0.00 179.01 179.14 1n0j h LYS 44 N 0.07 0.00 -0.14 1.92 1.57 -0.28 -2.67 116.57 117.04 1n0j h LYS 44 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1n0j h LYS 44 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1n0j h LYS 44 CO 0.01 0.28 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.11 1n0j h TYR 45 N 0.00 0.40 -0.74 -1.35 5.03 -0.76 -0.44 116.97 119.11 1n0j h TYR 45 Ca -0.00 -0.12 0.16 0.00 2.58 0.00 0.00 58.73 61.35 1n0j h TYR 45 Cb 0.56 -0.08 -0.13 0.00 1.55 0.00 0.00 36.73 38.62 1n0j h TYR 45 CO 0.00 0.73 -0.08 0.37 -1.32 0.00 0.00 178.16 177.85 1n0j h GLN 46 N -0.04 0.05 -0.12 1.82 5.75 -0.79 0.54 115.11 122.31 1n0j h GLN 46 Ca 0.02 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1n0j h GLN 46 Cb 0.66 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.19 1n0j h GLN 46 CO 0.03 0.03 -0.02 0.93 -2.65 0.00 0.00 178.83 177.15 1n0j h GLU 47 N 0.05 0.23 -1.00 1.69 5.08 -1.21 -0.05 114.58 119.37 1n0j h GLU 47 Ca 0.38 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 1n0j h GLU 47 Cb 0.64 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 1n0j h GLU 47 CO -0.70 0.51 0.64 0.00 -1.00 0.00 0.00 179.01 178.45 1n0j h ALA 48 N 0.71 1.51 -0.13 3.43 0.00 -0.07 -1.66 119.26 123.04 1n0j h ALA 48 Ca 0.03 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1n0j h ALA 48 Cb 0.42 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1n0j h ALA 48 CO 0.01 0.26 -0.73 1.25 0.00 0.00 0.00 179.25 180.04 1n0j h LEU 49 N 1.03 0.87 -0.60 0.00 5.85 0.33 -2.79 115.31 120.00 1n0j h LEU 49 Ca 0.49 -0.64 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1n0j h LEU 49 Cb 0.44 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1n0j h LEU 49 CO -0.25 1.37 0.23 0.00 -0.34 0.00 0.00 178.44 179.45 1n0j h ALA 50 N 0.52 0.77 0.00 1.25 0.00 -0.28 -1.93 119.26 119.59 1n0j h ALA 50 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n0j h ALA 50 Cb 1.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1n0j h ALA 50 CO 0.15 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.85 1n0j n LYS 51 N -4.99 0.87 -2.09 0.00 5.02 -0.69 -4.93 118.16 111.35 1n0j n LYS 51 Ca 0.08 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 1n0j n LYS 51 Cb 0.26 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1n0j n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n0j n GLY 52 N 0.96 0.19 3.43 0.72 0.00 -0.73 -4.95 105.19 104.81 1n0j n GLY 52 Ca 0.21 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1n0j n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n0j s ASP 53 N -2.43 6.25 0.12 1.61 3.68 -1.07 -4.91 116.67 119.92 1n0j s ASP 53 Ca 0.00 -1.31 -0.06 0.00 2.13 0.00 0.00 52.55 53.31 1n0j s ASP 53 Cb 0.00 -2.37 -0.11 0.00 -1.45 0.00 0.00 42.92 38.99 1n0j s ASP 53 CO 0.00 -1.27 1.29 0.58 0.13 0.00 0.00 175.17 175.90 1n0j h VAL 54 N 5.92 1.38 -0.59 1.11 2.07 -1.92 -2.61 116.25 121.60 1n0j h VAL 54 Ca -0.22 -2.39 0.08 0.00 0.82 0.00 0.00 66.70 64.99 1n0j h VAL 54 Cb 1.07 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 33.16 1n0j h VAL 54 CO 1.14 0.72 0.26 0.74 0.02 0.00 0.00 177.57 180.45 1n0j h THR 55 N 0.27 0.85 -0.08 2.57 2.02 -1.99 -0.02 112.91 116.53 1n0j h THR 55 Ca -0.08 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1n0j h THR 55 Cb 1.58 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1n0j h THR 55 CO 0.17 0.09 0.01 0.00 0.37 0.00 0.00 175.52 176.16 1n0j h ALA 56 N 1.37 0.10 -0.80 6.16 0.00 -1.95 0.90 119.26 125.04 1n0j h ALA 56 Ca 0.28 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1n0j h ALA 56 Cb 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1n0j h ALA 56 CO -0.25 -0.26 0.45 1.96 0.00 0.00 0.00 179.25 181.15 1n0j h GLN 57 N -0.10 0.73 -0.23 0.00 4.20 -1.17 -0.79 115.11 117.75 1n0j h GLN 57 Ca 0.02 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1n0j h GLN 57 Cb 0.27 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1n0j h GLN 57 CO 0.00 0.48 -0.46 0.82 -0.67 0.00 0.00 178.83 179.01 1n0j h ILE 58 N 0.75 1.31 -0.47 2.54 2.04 -0.39 -2.98 117.51 120.30 1n0j h ILE 58 Ca 0.39 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.52 1n0j h ILE 58 Cb 0.37 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1n0j h ILE 58 CO -0.25 0.52 -0.03 0.00 0.00 0.00 0.00 178.15 178.39 1n0j h ALA 59 N 1.03 1.06 0.00 1.87 0.00 -0.29 -2.83 119.26 120.10 1n0j h ALA 59 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n0j h ALA 59 Cb 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1n0j h ALA 59 CO 0.09 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1n0j n LEU 60 N -4.20 0.00 -0.10 0.00 4.77 -0.35 -4.35 117.00 112.76 1n0j n LEU 60 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1n0j n LEU 60 Cb 0.32 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1n0j n LEU 60 CO 0.42 0.00 0.65 1.56 -1.33 0.00 0.00 177.39 178.69 1n0j h GLN 61 N 0.00 0.64 -0.45 3.23 4.20 -1.44 -1.89 115.11 119.40 1n0j h GLN 61 Ca 0.00 -0.29 0.08 0.00 0.06 0.00 0.00 58.65 58.51 1n0j h GLN 61 Cb 0.00 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.69 1n0j h GLN 61 CO 0.00 0.87 0.01 -1.35 -0.67 0.00 0.00 178.83 177.69 1n0j h PRO 62 N 0.39 0.12 -0.77 1.46 0.11 -1.82 0.23 132.00 131.73 1n0j h PRO 62 Ca 0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1n0j h PRO 62 Cb 0.69 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.74 1n0j h PRO 62 CO 0.05 0.08 0.44 0.00 -0.21 0.00 0.00 178.00 178.36 1n0j h ALA 63 N 1.39 0.98 -0.11 -0.75 0.00 -1.83 0.28 119.26 119.23 1n0j h ALA 63 Ca 0.22 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1n0j h ALA 63 Cb 0.32 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n0j h ALA 63 CO -0.36 0.47 -0.82 1.25 0.00 0.00 0.00 179.25 179.79 1n0j h LEU 64 N 1.05 0.83 -0.49 0.00 6.46 -0.94 -1.77 115.31 120.45 1n0j h LEU 64 Ca 0.27 -0.57 -0.11 0.00 -0.12 0.00 0.00 57.88 57.35 1n0j h LEU 64 Cb -0.00 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 1n0j h LEU 64 CO -0.05 1.36 -0.13 0.50 -0.62 0.00 0.00 178.44 179.50 1n0j h LYS 65 N 0.45 0.95 0.65 1.25 3.64 -0.33 -1.11 116.57 122.08 1n0j h LYS 65 Ca -0.06 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1n0j h LYS 65 Cb 1.44 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1n0j h LYS 65 CO 0.16 1.03 -0.31 0.35 -2.27 0.00 0.00 179.45 178.41 1n0j h PHE 66 N 0.81 -0.81 -0.24 1.91 -0.00 -0.38 -2.20 116.94 116.03 1n0j h PHE 66 Ca 0.12 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.97 57.89 1n0j h PHE 66 Cb 0.69 0.27 -0.00 0.00 -0.00 0.00 0.00 35.95 36.91 1n0j h PHE 66 CO 0.05 -0.47 -0.59 -0.91 -0.00 0.00 0.00 178.31 176.40 1n0j h ASN 67 N -1.04 0.86 -0.31 0.41 -0.26 -1.43 -0.08 115.58 113.74 1n0j h ASN 67 Ca -0.09 -0.48 -0.13 0.00 -0.56 0.00 0.00 56.30 55.04 1n0j h ASN 67 Cb 0.71 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1n0j h ASN 67 CO 0.15 1.25 -0.33 1.23 -1.06 0.00 0.00 177.43 178.67 1n0j h GLY 68 N 0.80 0.84 0.99 2.83 0.00 -1.28 -1.35 103.07 105.90 1n0j h GLY 68 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 46.41 1n0j h GLY 68 CO 0.12 0.78 0.11 -1.33 0.00 0.00 0.00 176.54 176.22 1n0j h GLY 69 N 0.53 0.91 0.59 4.60 0.00 -1.45 -1.78 103.07 106.47 1n0j h GLY 69 Ca 0.05 -0.58 0.08 0.00 0.00 0.00 0.00 47.33 46.87 1n0j h GLY 69 CO 0.08 0.54 0.42 -1.33 0.00 0.00 0.00 176.54 176.25 1n0j h GLY 70 N 0.73 1.13 1.03 4.60 0.00 -0.89 -0.81 103.07 108.86 1n0j h GLY 70 Ca 0.16 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1n0j h GLY 70 CO 0.01 0.14 -0.16 0.84 0.00 0.00 0.00 176.54 177.37 1n0j h HIS 71 N 0.73 0.98 0.53 5.60 6.17 -0.95 -2.14 115.15 126.07 1n0j h HIS 71 Ca 0.35 -0.23 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1n0j h HIS 71 Cb 0.28 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 29.97 1n0j h HIS 71 CO -0.07 0.99 -0.35 0.82 0.71 0.00 0.00 177.93 180.03 1n0j h ILE 72 N 0.68 0.28 -0.69 6.26 2.04 -1.02 -2.59 117.51 122.47 1n0j h ILE 72 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1n0j h ILE 72 Cb 0.71 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1n0j h ILE 72 CO 0.05 0.00 0.24 0.78 0.00 0.00 0.00 178.15 179.23 1n0j h ASN 73 N -0.85 0.98 0.34 1.72 2.35 -1.23 -1.56 115.58 117.34 1n0j h ASN 73 Ca -0.06 -0.19 -0.17 0.00 -0.55 0.00 0.00 56.30 55.33 1n0j h ASN 73 Cb 0.70 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1n0j h ASN 73 CO 0.04 0.91 -0.71 0.45 -1.65 0.00 0.00 177.43 176.48 1n0j h HIS 74 N 1.00 0.43 -0.76 1.19 3.86 -1.38 -1.52 115.15 117.97 1n0j h HIS 74 Ca 0.23 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1n0j h HIS 74 Cb 0.26 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1n0j h HIS 74 CO 0.02 0.92 0.31 0.77 0.86 0.00 0.00 177.93 180.81 1n0j h SER 75 N 0.22 1.04 -0.37 2.45 0.02 -1.09 0.11 113.55 115.93 1n0j h SER 75 Ca -0.02 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1n0j h SER 75 Cb 1.27 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1n0j h SER 75 CO 0.12 0.93 -0.04 0.40 -1.14 0.00 0.00 176.83 177.10 1n0j h ILE 76 N 1.09 1.27 -0.43 3.27 2.04 -1.26 -3.10 117.51 120.39 1n0j h ILE 76 Ca 0.25 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 65.12 1n0j h ILE 76 Cb 0.21 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1n0j h ILE 76 CO -0.02 0.35 0.07 0.15 0.00 0.00 0.00 178.15 178.70 1n0j h PHE 77 N 0.48 0.11 0.00 1.37 3.57 -0.02 -0.73 116.94 121.72 1n0j h PHE 77 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1n0j h PHE 77 Cb 0.52 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1n0j h PHE 77 CO 0.04 -0.01 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.48 1n0j h TRP 78 N 0.19 0.00 0.00 0.41 -0.00 -0.84 0.71 115.95 116.43 1n0j h TRP 78 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.10 1n0j h TRP 78 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.43 1n0j h TRP 78 CO -0.22 0.14 -0.06 1.79 -0.00 0.00 0.00 178.44 180.08 1n0j h THR 79 N 0.00 0.00 0.00 1.49 1.35 -1.09 -3.15 112.91 111.51 1n0j h THR 79 Ca -0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1n0j h THR 79 Cb 0.26 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1n0j h THR 79 CO 0.02 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 176.07 1n0j h ASN 80 N 0.00 0.00 -2.69 5.36 -0.26 0.00 -3.44 115.58 114.56 1n0j h ASN 80 Ca 0.00 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.24 1n0j h ASN 80 Cb 0.94 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.19 1n0j h ASN 80 CO 0.00 0.00 -0.32 -0.76 -1.06 0.00 0.00 177.43 175.29 1n0j s LEU 81 N -5.77 4.20 -0.12 1.61 2.01 -1.16 -0.08 118.68 119.36 1n0j s LEU 81 Ca 0.05 0.34 -0.24 0.00 0.01 0.00 0.00 54.13 54.28 1n0j s LEU 81 Cb 0.08 -3.13 0.06 0.00 0.01 0.00 0.00 46.19 43.20 1n0j s LEU 81 CO 0.58 -0.11 0.60 -0.55 1.01 0.00 0.00 176.35 177.88 1n0j s SER 82 N -3.55 -0.58 0.46 2.29 0.15 0.15 -4.60 113.70 108.02 1n0j s SER 82 Ca 0.38 0.84 0.16 0.00 0.70 0.00 0.00 55.95 58.03 1n0j s SER 82 Cb -0.10 0.81 1.12 0.00 -1.71 0.00 0.00 66.02 66.14 1n0j s SER 82 CO 0.31 -0.42 2.02 1.55 1.20 0.00 0.00 173.24 177.90 1n0j h PRO 83 N 4.05 0.27 -0.72 5.44 0.13 -1.82 -0.01 132.00 139.34 1n0j h PRO 83 Ca -0.28 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.68 1n0j h PRO 83 Cb 1.16 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 1n0j h PRO 83 CO 0.28 0.18 0.20 0.09 -0.23 0.00 0.00 178.00 178.51 1n0j n ASN 84 N -4.47 5.01 -2.83 1.44 5.03 -1.26 -4.96 115.26 113.23 1n0j n ASN 84 Ca 0.07 -3.11 -0.09 0.00 0.87 0.00 0.00 54.58 52.31 1n0j n ASN 84 Cb 0.33 -0.73 0.06 0.00 -1.02 0.00 0.00 39.78 38.42 1n0j n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n0j n GLY 85 N 0.07 -0.15 0.18 7.41 0.00 -0.02 -4.97 105.19 107.71 1n0j n GLY 85 Ca 0.37 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1n0j n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n0j n GLY 86 N 2.03 -2.85 7.00 -0.02 0.00 0.23 -4.65 105.19 106.94 1n0j n GLY 86 Ca 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1n0j n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n0j n GLY 87 N -0.02 0.80 3.24 -0.02 0.00 -1.26 -4.74 105.19 103.20 1n0j n GLY 87 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1n0j n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n0j s GLU 88 N 0.00 1.02 0.46 1.61 2.02 -1.26 -5.05 118.70 117.51 1n0j s GLU 88 Ca 0.00 -1.24 -0.21 0.00 0.02 0.00 0.00 54.97 53.54 1n0j s GLU 88 Cb 0.00 -0.90 -0.09 0.00 0.10 0.00 0.00 34.13 33.24 1n0j s GLU 88 CO 0.00 0.17 1.03 -1.25 0.02 0.00 0.00 175.26 175.23 1n0j s PRO 89 N -2.68 3.93 0.32 0.39 0.04 -1.26 -4.98 135.00 130.75 1n0j s PRO 89 Ca 0.09 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.54 1n0j s PRO 89 Cb -0.05 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1n0j s PRO 89 CO 0.03 -0.32 0.04 -1.59 0.04 0.00 0.00 177.00 175.19 1n0j s LYS 90 N -3.07 1.63 3.48 4.56 -2.85 -1.26 -4.48 119.74 117.75 1n0j s LYS 90 Ca 0.65 -1.89 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1n0j s LYS 90 Cb -0.17 -0.92 0.00 0.00 -2.06 0.00 0.00 37.83 34.68 1n0j s LYS 90 CO 0.21 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.92 1n0j n GLY 91 N -0.67 0.06 0.26 0.59 0.00 -1.26 -3.96 105.19 100.21 1n0j n GLY 91 Ca -0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 1n0j n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n0j h GLU 92 N 0.00 0.49 -0.20 1.61 4.57 -1.99 -1.87 114.58 117.19 1n0j h GLU 92 Ca 0.00 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1n0j h GLU 92 Cb 0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1n0j h GLU 92 CO 0.00 0.59 0.05 1.25 -1.18 0.00 0.00 179.01 179.72 1n0j h LEU 93 N 0.46 0.30 -1.34 1.64 5.85 -1.96 -1.23 115.31 119.04 1n0j h LEU 93 Ca 0.09 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1n0j h LEU 93 Cb 0.44 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1n0j h LEU 93 CO 0.02 0.45 0.27 0.25 -0.34 0.00 0.00 178.44 179.09 1n0j h LEU 94 N 0.14 0.64 0.16 2.25 5.85 -1.49 -0.62 115.31 122.24 1n0j h LEU 94 Ca 0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1n0j h LEU 94 Cb 0.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1n0j h LEU 94 CO 0.00 0.53 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.42 1n0j h GLU 95 N 0.72 -0.30 -0.46 1.25 4.81 -1.23 -0.69 114.58 118.69 1n0j h GLU 95 Ca 0.18 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.53 1n0j h GLU 95 Cb 0.05 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.41 1n0j h GLU 95 CO -0.03 -0.20 -0.16 0.00 -0.73 0.00 0.00 179.01 177.90 1n0j h ALA 96 N 0.51 0.23 -0.36 2.92 0.00 0.08 -0.08 119.26 122.56 1n0j h ALA 96 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1n0j h ALA 96 Cb 0.28 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1n0j h ALA 96 CO -0.01 -0.49 0.17 0.82 0.00 0.00 0.00 179.25 179.74 1n0j h ILE 97 N -0.05 1.16 -0.58 0.00 2.04 -1.05 -1.84 117.51 117.20 1n0j h ILE 97 Ca 0.22 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1n0j h ILE 97 Cb 0.39 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1n0j h ILE 97 CO -0.50 0.17 0.32 0.50 0.00 0.00 0.00 178.15 178.64 1n0j h LYS 98 N 0.44 0.80 0.29 2.37 3.11 0.20 0.48 116.57 124.26 1n0j h LYS 98 Ca 0.12 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1n0j h LYS 98 Cb 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 1n0j h LYS 98 CO -0.02 0.61 -0.19 0.00 -2.81 0.00 0.00 179.45 177.04 1n0j h ARG 99 N 0.78 -0.46 0.00 1.90 3.08 -0.77 0.32 114.38 119.23 1n0j h ARG 99 Ca 0.20 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 1n0j h ARG 99 Cb 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1n0j h ARG 99 CO -0.03 -0.31 -0.26 -0.44 -1.07 0.00 0.00 179.97 177.86 1n0j h ASP 100 N -0.48 0.00 0.00 7.04 3.45 -1.04 -3.37 116.42 122.03 1n0j h ASP 100 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1n0j h ASP 100 Cb 0.40 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1n0j h ASP 100 CO 0.02 0.26 -0.98 0.49 -1.57 0.00 0.00 179.24 177.46 1n0j n PHE 101 N -3.76 0.00 0.00 4.55 3.01 0.17 -5.05 117.46 116.37 1n0j n PHE 101 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1n0j n PHE 101 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1n0j n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n0j n GLY 102 N 3.29 3.52 3.39 1.37 0.00 0.11 -4.72 105.19 112.15 1n0j n GLY 102 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1n0j n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n0j s SER 103 N 0.00 -0.44 0.43 1.61 1.04 -1.26 -4.80 113.70 110.28 1n0j s SER 103 Ca 0.00 0.07 0.16 0.00 0.48 0.00 0.00 55.95 56.66 1n0j s SER 103 Cb 0.00 0.51 1.06 0.00 0.10 0.00 0.00 66.02 67.69 1n0j s SER 103 CO 0.00 -0.79 1.92 0.15 0.98 0.00 0.00 173.24 175.50 1n0j h PHE 104 N 2.56 0.47 -0.42 5.02 3.57 -1.93 -0.35 116.94 125.86 1n0j h PHE 104 Ca -0.32 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.11 1n0j h PHE 104 Cb 1.24 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1n0j h PHE 104 CO 0.33 0.18 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.10 1n0j h ASP 105 N 0.41 0.78 -0.59 0.41 5.19 -1.98 0.17 116.42 120.80 1n0j h ASP 105 Ca 0.37 -0.34 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 1n0j h ASP 105 Cb 0.85 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 1n0j h ASP 105 CO -0.12 0.93 0.04 0.11 -3.12 0.00 0.00 179.24 177.08 1n0j h LYS 106 N 0.61 1.04 0.41 3.56 1.57 -1.65 -0.16 116.57 121.95 1n0j h LYS 106 Ca 0.11 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1n0j h LYS 106 Cb 0.57 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1n0j h LYS 106 CO 0.03 0.99 -0.51 0.35 -0.57 0.00 0.00 179.45 179.74 1n0j h PHE 107 N 0.96 -1.44 -0.74 -1.35 3.04 -0.64 0.19 116.94 116.97 1n0j h PHE 107 Ca 0.18 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.29 1n0j h PHE 107 Cb 0.50 0.57 -0.09 0.00 2.56 0.00 0.00 35.95 39.49 1n0j h PHE 107 CO 0.03 -0.66 0.28 -0.22 -2.02 0.00 0.00 178.31 175.72 1n0j h LYS 108 N -0.95 0.40 -0.57 1.11 3.64 -0.43 0.22 116.57 119.99 1n0j h LYS 108 Ca -0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1n0j h LYS 108 Cb 0.85 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1n0j h LYS 108 CO -0.12 0.27 0.26 1.49 -2.27 0.00 0.00 179.45 179.08 1n0j h GLU 109 N 0.41 0.83 -0.14 1.90 4.22 -0.88 -0.13 114.58 120.80 1n0j h GLU 109 Ca 0.40 -0.13 -0.17 0.00 0.08 0.00 0.00 59.36 59.54 1n0j h GLU 109 Cb 0.61 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1n0j h GLU 109 CO -0.41 0.69 -0.63 0.87 -2.18 0.00 0.00 179.01 177.35 1n0j h LYS 110 N 0.77 0.50 0.10 1.92 1.57 0.13 -1.21 116.57 120.36 1n0j h LYS 110 Ca 0.19 -0.35 -0.26 0.00 -1.87 0.00 0.00 60.65 58.36 1n0j h LYS 110 Cb 0.14 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1n0j h LYS 110 CO -0.02 0.97 -1.18 1.25 -0.57 0.00 0.00 179.45 179.90 1n0j h LEU 111 N 0.37 0.43 -0.51 2.94 5.85 -0.51 -1.65 115.31 122.22 1n0j h LEU 111 Ca -0.01 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1n0j h LEU 111 Cb 1.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1n0j h LEU 111 CO 0.11 1.32 0.34 0.74 -0.34 0.00 0.00 178.44 180.61 1n0j h THR 112 N 0.10 1.14 -0.53 1.05 2.02 -1.02 0.20 112.91 115.86 1n0j h THR 112 Ca -0.12 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1n0j h THR 112 Cb 1.89 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1n0j h THR 112 CO 0.19 0.13 0.08 0.00 0.37 0.00 0.00 175.52 176.29 1n0j h ALA 113 N 1.18 1.13 -0.26 6.16 0.00 -1.18 0.19 119.26 126.48 1n0j h ALA 113 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1n0j h ALA 113 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1n0j h ALA 113 CO -0.04 0.57 -0.29 0.00 0.00 0.00 0.00 179.25 179.49 1n0j h ALA 114 N 1.28 1.02 0.05 0.00 0.00 -0.98 -1.53 119.26 119.09 1n0j h ALA 114 Ca 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1n0j h ALA 114 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n0j h ALA 114 CO 0.01 0.59 -0.03 0.77 0.00 0.00 0.00 179.25 180.59 1n0j h SER 115 N 0.46 -0.06 0.02 0.00 0.02 0.27 -3.27 113.55 110.99 1n0j h SER 115 Ca 0.06 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1n0j h SER 115 Cb 0.73 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1n0j h SER 115 CO 0.06 0.59 -0.10 0.58 -1.14 0.00 0.00 176.83 176.81 1n0j h VAL 116 N -0.75 1.15 0.00 2.27 2.07 -0.72 -2.52 116.25 117.75 1n0j h VAL 116 Ca -0.01 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1n0j h VAL 116 Cb 0.63 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1n0j h VAL 116 CO 0.01 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.41 1n0j n GLY 117 N -1.00 -1.31 3.76 2.17 0.00 -0.58 -4.89 105.19 103.34 1n0j n GLY 117 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1n0j n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n0j s VAL 118 N -3.15 2.12 -0.24 1.61 1.01 -0.95 -4.96 120.40 115.85 1n0j s VAL 118 Ca 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1n0j s VAL 118 Cb 0.11 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1n0j s VAL 118 CO 0.41 0.01 -0.01 -1.10 0.00 0.00 0.00 175.10 174.41 1n0j s GLN 119 N -2.67 3.35 1.78 2.72 -0.21 -1.26 -4.89 119.66 118.48 1n0j s GLN 119 Ca 0.66 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 55.39 1n0j s GLN 119 Cb -0.41 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.50 1n0j s GLN 119 CO 0.51 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1n0j n GLY 120 N 4.82 0.24 3.86 3.09 0.00 -1.26 -4.90 105.19 111.04 1n0j n GLY 120 Ca -0.17 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1n0j n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n0j s SER 121 N -4.00 6.70 0.00 1.61 0.01 -1.26 -4.85 113.70 111.90 1n0j s SER 121 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1n0j s SER 121 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1n0j s SER 121 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1n0j n GLY 122 N 0.21 -0.64 3.06 3.44 0.00 -1.26 -1.23 105.19 108.77 1n0j n GLY 122 Ca -0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1n0j n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n0j s TRP 123 N -3.00 0.17 0.02 1.61 0.52 -0.14 -1.82 118.94 116.29 1n0j s TRP 123 Ca 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.77 1n0j s TRP 123 Cb 0.00 -0.13 -0.04 0.00 -1.15 0.00 0.00 33.47 32.15 1n0j s TRP 123 CO 0.00 -0.27 -0.05 0.20 0.02 0.00 0.00 176.95 176.85 1n0j s GLY 124 N -1.59 1.80 -0.05 0.98 0.00 -1.13 -0.90 107.32 106.43 1n0j s GLY 124 Ca -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.52 1n0j s GLY 124 CO -0.01 -0.92 0.11 -0.98 0.00 0.00 0.00 173.10 171.30 1n0j s TRP 125 N -1.07 -0.12 -0.18 1.90 0.52 0.31 -2.08 118.94 118.21 1n0j s TRP 125 Ca 0.19 0.33 -0.18 0.00 0.02 0.00 0.00 56.10 56.46 1n0j s TRP 125 Cb -0.11 0.00 -0.03 0.00 -1.15 0.00 0.00 33.47 32.18 1n0j s TRP 125 CO 0.10 -0.08 0.50 -1.17 0.02 0.00 0.00 176.95 176.31 1n0j s LEU 126 N 0.34 4.17 0.32 2.99 2.96 0.26 -0.06 118.68 129.66 1n0j s LEU 126 Ca -0.02 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 1n0j s LEU 126 Cb -0.04 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1n0j s LEU 126 CO -0.01 -0.13 0.09 -0.83 -1.32 0.00 0.00 176.35 174.15 1n0j s GLY 127 N 1.03 2.05 -0.07 7.98 0.00 0.60 -1.59 107.32 117.32 1n0j s GLY 127 Ca 0.24 -1.84 0.04 0.00 0.00 0.00 0.00 44.72 43.16 1n0j s GLY 127 CO 0.10 -1.73 -0.18 -0.12 0.00 0.00 0.00 173.10 171.16 1n0j s PHE 128 N -3.46 2.62 -0.47 1.90 5.36 -0.06 -0.82 117.98 123.04 1n0j s PHE 128 Ca 0.35 -0.50 -0.18 0.00 -0.96 0.00 0.00 56.93 55.64 1n0j s PHE 128 Cb 0.07 -1.67 0.05 0.00 -0.34 0.00 0.00 43.02 41.14 1n0j s PHE 128 CO 0.15 -0.07 0.51 1.21 -1.46 0.00 0.00 175.22 175.56 1n0j s ASN 129 N -0.25 6.20 0.13 6.13 3.84 0.79 -0.70 114.94 131.09 1n0j s ASN 129 Ca 0.00 -0.96 -0.14 0.00 0.21 0.00 0.00 52.86 51.97 1n0j s ASN 129 Cb -0.13 -2.24 -0.00 0.00 -0.55 0.00 0.00 41.25 38.32 1n0j s ASN 129 CO 0.03 -0.74 1.60 0.50 -2.79 0.00 0.00 177.10 175.70 1n0j h LYS 130 N 8.86 0.74 -0.91 0.43 3.64 -1.87 0.32 116.57 127.78 1n0j h LYS 130 Ca -0.27 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1n0j h LYS 130 Cb 1.10 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1n0j h LYS 130 CO 0.90 0.79 0.50 1.49 -2.27 0.00 0.00 179.45 180.85 1n0j h GLU 131 N 0.59 1.27 -0.00 1.90 4.81 -1.97 -1.96 114.58 119.23 1n0j h GLU 131 Ca 0.13 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1n0j h GLU 131 Cb 0.42 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1n0j h GLU 131 CO 0.01 0.92 -0.61 0.54 -0.73 0.00 0.00 179.01 179.15 1n0j n ARG 132 N -4.33 0.11 -2.40 1.92 1.74 -1.18 -4.98 116.66 107.54 1n0j n ARG 132 Ca 0.10 -0.07 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 1n0j n ARG 132 Cb 0.10 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1n0j n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n0j n GLY 133 N 1.48 -0.42 3.13 -0.13 0.00 0.11 -4.99 105.19 104.37 1n0j n GLY 133 Ca 0.06 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1n0j n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n0j s HIS 134 N -2.97 0.95 0.31 1.61 4.02 -0.97 -4.93 115.29 113.31 1n0j s HIS 134 Ca 0.02 -0.55 -0.28 0.00 1.02 0.00 0.00 55.06 55.26 1n0j s HIS 134 Cb -0.01 -0.54 -0.10 0.00 -1.02 0.00 0.00 32.58 30.92 1n0j s HIS 134 CO 0.02 -0.02 1.14 -0.51 1.02 0.00 0.00 174.74 176.39 1n0j s LEU 135 N -1.96 4.46 -0.01 0.89 1.43 -1.26 -0.15 118.68 122.08 1n0j s LEU 135 Ca -0.02 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 55.42 1n0j s LEU 135 Cb -0.07 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1n0j s LEU 135 CO 0.01 -0.29 -0.03 -1.58 0.23 0.00 0.00 176.35 174.68 1n0j s GLN 136 N -1.68 0.36 -0.34 1.70 0.74 -0.00 -4.91 119.66 115.52 1n0j s GLN 136 Ca 0.48 -0.10 -0.13 0.00 0.05 0.00 0.00 55.36 55.66 1n0j s GLN 136 Cb -0.32 -0.39 -0.02 0.00 1.10 0.00 0.00 33.01 33.38 1n0j s GLN 136 CO 0.42 0.03 0.23 0.42 -0.55 0.00 0.00 175.29 175.84 1n0j s ILE 137 N 0.20 5.21 0.41 -2.34 -1.09 -1.26 -0.29 121.20 122.05 1n0j s ILE 137 Ca -0.02 -0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.23 1n0j s ILE 137 Cb -0.05 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1n0j s ILE 137 CO -0.00 -0.01 0.23 0.00 -1.23 0.00 0.00 174.94 173.93 1n0j s ALA 138 N 1.71 3.71 0.03 9.38 0.00 0.91 -4.92 121.76 132.58 1n0j s ALA 138 Ca 0.06 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 50.01 1n0j s ALA 138 Cb -0.17 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1n0j s ALA 138 CO 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 175.76 175.63 1n0j s ALA 139 N -2.55 0.48 0.06 0.00 0.00 -1.26 0.11 121.76 118.61 1n0j s ALA 139 Ca 0.43 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1n0j s ALA 139 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1n0j s ALA 139 CO 0.24 0.01 -0.11 0.00 0.00 0.00 0.00 175.76 175.89 1n0j s PRO 141 N -1.70 3.92 4.06 0.00 0.04 -1.26 -0.97 135.00 139.09 1n0j s PRO 141 Ca -0.05 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1n0j s PRO 141 Cb -0.10 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1n0j s PRO 141 CO 0.01 0.16 0.00 0.09 0.04 0.00 0.00 177.00 177.30 1n0j n ASN 142 N -0.48 0.00 -0.41 6.66 5.03 -0.37 -1.23 115.26 124.47 1n0j n ASN 142 Ca 0.03 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.54 1n0j n ASN 142 Cb 0.53 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 39.43 1n0j n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n0j n GLN 143 N 4.62 2.57 -1.77 3.52 1.13 -1.26 -4.06 117.38 122.12 1n0j n GLN 143 Ca 0.00 -2.22 -0.42 0.00 -1.94 0.00 0.00 57.00 52.42 1n0j n GLN 143 Cb 0.00 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 1n0j n GLN 143 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1n0j s ASP 144 N -1.65 6.49 0.60 1.08 -0.00 -0.37 -3.64 116.67 119.19 1n0j s ASP 144 Ca 0.24 2.61 -0.15 0.00 -0.00 0.00 0.00 52.55 55.25 1n0j s ASP 144 Cb 0.18 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.52 1n0j s ASP 144 CO 0.07 -1.00 1.05 -2.16 -0.00 0.00 0.00 175.17 173.13 1n0j s PRO 145 N 3.58 3.35 0.04 8.23 0.04 -1.26 -4.73 135.00 144.25 1n0j s PRO 145 Ca 0.82 1.13 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1n0j s PRO 145 Cb -0.42 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.97 1n0j s PRO 145 CO 0.37 -0.78 1.32 -0.07 0.04 0.00 0.00 177.00 177.89 1n0j h LEU 146 N 0.34 -0.76 -0.28 -3.56 3.38 -1.92 -3.16 115.31 109.35 1n0j h LEU 146 Ca -0.46 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1n0j h LEU 146 Cb 1.21 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1n0j h LEU 146 CO 0.58 -0.42 0.19 -0.61 0.09 0.00 0.00 178.44 178.27 1n0j h GLN 147 N -0.65 0.37 0.00 1.13 4.15 -1.85 0.31 115.11 118.57 1n0j h GLN 147 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1n0j h GLN 147 Cb 0.54 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1n0j h GLN 147 CO 0.02 0.24 -0.07 0.78 -1.93 0.00 0.00 178.83 177.87 1n0j h GLY 148 N 0.38 0.00 0.00 2.39 0.00 -1.88 0.26 103.07 104.22 1n0j h GLY 148 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1n0j h GLY 148 CO -0.02 0.00 -1.41 -1.30 0.00 0.00 0.00 176.54 173.81 1n0j n THR 149 N -4.21 0.14 0.00 4.70 -2.24 -0.91 -4.74 114.28 107.02 1n0j n THR 149 Ca -0.03 -0.22 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1n0j n THR 149 Cb 0.15 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1n0j n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n0j n THR 150 N -1.92 0.00 -0.25 4.28 -2.24 0.11 -5.01 114.28 109.25 1n0j n THR 150 Ca -0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1n0j n THR 150 Cb 0.36 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1n0j n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n0j n GLY 151 N 2.33 2.11 3.77 3.38 0.00 0.91 -4.99 105.19 112.71 1n0j n GLY 151 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1n0j n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n0j s LEU 152 N 0.00 4.16 -0.04 0.99 1.43 -1.26 -4.81 118.68 119.16 1n0j s LEU 152 Ca 0.00 2.26 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 1n0j s LEU 152 Cb 0.00 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 1n0j s LEU 152 CO 0.00 -0.66 0.98 -0.63 0.23 0.00 0.00 176.35 176.27 1n0j s ILE 153 N -1.49 4.85 -0.13 -0.59 -1.09 0.13 -2.98 121.20 119.90 1n0j s ILE 153 Ca 0.58 2.04 -0.29 0.00 -2.23 0.00 0.00 60.65 60.74 1n0j s ILE 153 Cb -0.28 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.26 1n0j s ILE 153 CO 0.35 0.11 1.43 -2.84 -1.23 0.00 0.00 174.94 172.77 1n0j s PRO 154 N 1.32 4.19 -0.13 2.79 0.02 -1.26 -0.89 135.00 141.05 1n0j s PRO 154 Ca 0.50 1.86 -0.12 0.00 0.02 0.00 0.00 61.00 63.26 1n0j s PRO 154 Cb -0.20 -3.86 -0.06 0.00 0.02 0.00 0.00 34.50 30.40 1n0j s PRO 154 CO 0.25 -0.79 -0.26 1.28 -0.33 0.00 0.00 177.00 177.15 1n0j n LEU 155 N 6.89 1.64 -3.75 -5.54 4.32 -0.62 -4.95 117.00 115.00 1n0j n LEU 155 Ca 0.15 0.27 -0.20 0.00 -0.02 0.00 0.00 56.01 56.21 1n0j n LEU 155 Cb 0.44 -0.62 -0.17 0.00 -1.62 0.00 0.00 43.42 41.44 1n0j n LEU 155 CO 0.59 -0.18 -0.37 -0.22 -1.22 0.00 0.00 177.39 175.99 1n0j s LEU 156 N -7.52 0.62 0.10 2.23 2.96 -0.89 -4.69 118.68 111.49 1n0j s LEU 156 Ca -0.23 -0.01 0.10 0.00 -0.22 0.00 0.00 54.13 53.77 1n0j s LEU 156 Cb 0.05 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.43 1n0j s LEU 156 CO 0.33 -0.18 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.09 1n0j s GLY 157 N 1.73 1.45 -0.10 7.98 0.00 -1.26 -0.57 107.32 116.56 1n0j s GLY 157 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 1n0j s GLY 157 CO -0.03 -1.31 -0.04 -0.26 0.00 0.00 0.00 173.10 171.46 1n0j s ILE 158 N -0.98 0.71 0.09 0.90 -5.25 -0.88 -4.83 121.20 110.95 1n0j s ILE 158 Ca 0.12 -0.10 -0.31 0.00 -0.99 0.00 0.00 60.65 59.37 1n0j s ILE 158 Cb -0.10 -0.80 -0.07 0.00 2.95 0.00 0.00 42.46 44.44 1n0j s ILE 158 CO 0.04 0.30 1.29 -0.62 -1.79 0.00 0.00 174.94 174.17 1n0j s ASP 159 N 1.84 6.96 -0.15 4.36 3.68 -1.26 -2.84 116.67 129.25 1n0j s ASP 159 Ca 0.05 2.17 0.15 0.00 2.13 0.00 0.00 52.55 57.05 1n0j s ASP 159 Cb -0.13 -2.58 0.33 0.00 -1.45 0.00 0.00 42.92 39.09 1n0j s ASP 159 CO -0.07 -0.56 1.17 1.33 0.13 0.00 0.00 175.17 177.17 1n0j n VAL 160 N 3.92 1.82 -1.90 1.11 0.24 -0.76 -4.89 118.33 117.87 1n0j n VAL 160 Ca 0.10 -2.45 -0.36 0.00 -2.04 0.00 0.00 64.34 59.59 1n0j n VAL 160 Cb 0.44 -0.15 0.05 0.00 -1.47 0.00 0.00 33.84 32.71 1n0j n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1n0j s TRP 161 N -2.73 2.29 0.38 6.34 0.52 -1.21 -4.53 118.94 120.01 1n0j s TRP 161 Ca 0.32 1.52 0.05 0.00 0.02 0.00 0.00 56.10 58.01 1n0j s TRP 161 Cb 0.30 -3.52 0.74 0.00 -1.15 0.00 0.00 33.47 29.84 1n0j s TRP 161 CO -0.02 -2.40 2.02 0.93 0.02 0.00 0.00 176.95 177.51 1n0j h GLU 162 N 0.68 0.67 0.00 4.98 5.08 -1.95 -1.58 114.58 122.46 1n0j h GLU 162 Ca -0.50 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1n0j h GLU 162 Cb 1.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1n0j h GLU 162 CO 0.54 0.46 0.03 -2.39 -1.00 0.00 0.00 179.01 176.66 1n0j n HIS 163 N -4.44 0.70 0.43 4.33 1.44 -1.26 -1.48 115.22 114.94 1n0j n HIS 163 Ca 0.04 0.36 0.13 0.00 -2.01 0.00 0.00 57.72 56.24 1n0j n HIS 163 Cb 0.07 -1.06 0.29 0.00 0.12 0.00 0.00 29.99 29.40 1n0j n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1n0j h ALA 164 N 1.91 0.98 0.00 1.59 0.00 -1.63 -3.41 119.26 118.70 1n0j h ALA 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n0j h ALA 164 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n0j h ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 1n0j n TYR 165 N -2.65 0.00 -0.18 0.00 4.11 -0.68 -4.98 117.16 112.77 1n0j n TYR 165 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.96 1n0j n TYR 165 Cb 0.48 0.00 0.27 0.00 -0.00 0.00 0.00 39.34 40.09 1n0j n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1n0j h TYR 166 N 0.00 0.88 0.00 -3.48 3.20 -1.47 0.72 116.97 116.81 1n0j h TYR 166 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1n0j h TYR 166 Cb 0.00 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 1n0j h TYR 166 CO 0.00 0.57 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.92 1n0j h LEU 167 N 0.94 0.00 0.00 2.82 3.38 -1.89 -0.28 115.31 120.29 1n0j h LEU 167 Ca 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 1n0j h LEU 167 Cb -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1n0j h LEU 167 CO -0.05 0.09 -1.56 1.67 0.09 0.00 0.00 178.44 178.68 1n0j n GLN 168 N -3.55 0.24 0.00 1.13 7.27 -0.47 -4.74 117.38 117.27 1n0j n GLN 168 Ca -0.02 0.06 0.10 0.00 0.07 0.00 0.00 57.00 57.21 1n0j n GLN 168 Cb 0.22 -1.14 -0.02 0.00 2.41 0.00 0.00 30.24 31.71 1n0j n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1n0j n TYR 169 N -2.90 0.00 -0.84 3.69 4.02 0.12 -5.08 117.16 116.18 1n0j n TYR 169 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1n0j n TYR 169 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 1n0j n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1n0j n LYS 170 N -0.31 0.00 0.00 -0.72 4.01 -0.12 -1.43 118.16 119.59 1n0j n LYS 170 Ca 0.07 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.92 1n0j n LYS 170 Cb 0.40 0.00 0.27 0.00 -0.51 0.00 0.00 35.03 35.19 1n0j n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1n0j n ASN 171 N -1.52 0.00 -4.29 4.39 6.94 -1.26 -4.42 115.26 115.10 1n0j n ASN 171 Ca 0.00 -0.48 -0.45 0.00 -0.02 0.00 0.00 54.58 53.64 1n0j n ASN 171 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1n0j n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1n0j n VAL 172 N -0.87 4.68 -0.35 3.53 0.31 -0.52 -4.78 118.33 120.33 1n0j n VAL 172 Ca 0.07 -5.43 0.10 0.00 -0.01 0.00 0.00 64.34 59.07 1n0j n VAL 172 Cb 0.03 -2.50 0.29 0.00 -0.91 0.00 0.00 33.84 30.75 1n0j n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1n0j h ARG 173 N 6.47 0.84 -0.61 5.55 2.43 -1.83 -0.48 114.38 126.74 1n0j h ARG 173 Ca 0.19 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1n0j h ARG 173 Cb 0.83 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1n0j h ARG 173 CO 1.09 0.55 0.40 -1.35 -1.51 0.00 0.00 179.97 179.15 1n0j h PRO 174 N 0.86 0.67 -0.42 0.20 0.11 -1.97 -1.72 132.00 129.74 1n0j h PRO 174 Ca 0.53 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.46 1n0j h PRO 174 Cb 0.71 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1n0j h PRO 174 CO -0.32 0.44 -0.31 -0.44 -0.21 0.00 0.00 178.00 177.17 1n0j h ASP 175 N 0.69 1.00 -0.09 -2.05 3.45 -1.49 -0.52 116.42 117.42 1n0j h ASP 175 Ca 0.25 -0.44 0.03 0.00 0.43 0.00 0.00 57.03 57.30 1n0j h ASP 175 Cb 0.13 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.58 1n0j h ASP 175 CO -0.07 1.22 -0.12 0.22 -1.57 0.00 0.00 179.24 178.92 1n0j h TYR 176 N 0.78 -0.30 0.24 4.55 5.03 -1.20 -2.40 116.97 123.67 1n0j h TYR 176 Ca 0.08 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.41 1n0j h TYR 176 Cb 0.90 0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.29 1n0j h TYR 176 CO 0.06 -0.18 -0.43 -0.07 -1.32 0.00 0.00 178.16 176.22 1n0j h LEU 177 N -0.16 -1.23 -1.28 2.82 -0.00 -1.18 0.72 115.31 115.01 1n0j h LEU 177 Ca 0.07 0.12 0.19 0.00 -0.00 0.00 0.00 57.88 58.26 1n0j h LEU 177 Cb 0.26 0.44 -0.08 0.00 -0.00 0.00 0.00 40.66 41.28 1n0j h LEU 177 CO -0.18 -0.53 0.61 0.50 -0.00 0.00 0.00 178.44 178.84 1n0j h LYS 178 N -0.74 0.58 -0.03 1.13 3.64 -0.91 0.15 116.57 120.40 1n0j h LYS 178 Ca -0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1n0j h LYS 178 Cb 0.72 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1n0j h LYS 178 CO -0.18 0.39 -0.81 0.00 -2.27 0.00 0.00 179.45 176.58 1n0j h ALA 179 N 1.62 0.55 0.00 5.00 0.00 -0.91 -3.30 119.26 122.22 1n0j h ALA 179 Ca 0.51 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1n0j h ALA 179 Cb 0.99 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n0j h ALA 179 CO -0.26 0.82 -0.14 0.97 0.00 0.00 0.00 179.25 180.65 1n0j h ILE 180 N 0.19 0.68 -0.16 0.00 2.10 0.17 -1.34 117.51 119.16 1n0j h ILE 180 Ca -0.04 -0.56 0.05 0.00 1.08 0.00 0.00 64.86 65.38 1n0j h ILE 180 Cb 1.41 1.35 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 1n0j h ILE 180 CO 0.13 0.13 0.23 -0.50 -1.08 0.00 0.00 178.15 177.06 1n0j h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.62 -1.86 115.95 118.72 1n0j h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1n0j h TRP 181 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 1n0j h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1n0j n ASN 182 N -3.55 0.05 -0.01 -3.49 3.02 -0.50 -3.45 115.26 107.33 1n0j n ASN 182 Ca 0.01 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1n0j n ASN 182 Cb 0.34 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1n0j n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1n0j n VAL 183 N -1.55 0.00 -1.68 2.41 0.24 -0.70 -3.48 118.33 113.57 1n0j n VAL 183 Ca 0.06 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.34 61.41 1n0j n VAL 183 Cb 0.32 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 1n0j n VAL 183 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1n0j n ILE 184 N -0.28 0.44 -2.85 1.34 2.08 -1.20 0.29 119.36 119.17 1n0j n ILE 184 Ca 0.00 -0.08 -0.43 0.00 0.56 0.00 0.00 62.75 62.80 1n0j n ILE 184 Cb 0.01 -1.91 -0.03 0.00 -0.75 0.00 0.00 39.64 36.96 1n0j n ILE 184 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1n0j s ASN 185 N 3.17 6.56 0.11 4.38 2.47 0.88 -0.60 114.94 131.91 1n0j s ASN 185 Ca 0.87 -1.83 0.16 0.00 0.42 0.00 0.00 52.86 52.48 1n0j s ASN 185 Cb -0.61 -2.43 0.71 0.00 -1.45 0.00 0.00 41.25 37.46 1n0j s ASN 185 CO 0.44 -1.18 1.51 0.79 -3.72 0.00 0.00 177.10 174.94 1n0j n TRP 186 N 7.09 0.32 -0.06 0.43 7.02 -1.26 -1.87 117.44 129.11 1n0j n TRP 186 Ca 0.23 0.13 -0.14 0.00 -1.02 0.00 0.00 57.50 56.70 1n0j n TRP 186 Cb 0.49 -0.72 -0.07 0.00 -2.42 0.00 0.00 31.31 28.60 1n0j n TRP 186 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1n0j h GLU 187 N 0.00 0.52 -0.14 -0.99 4.22 -1.96 -2.07 114.58 114.16 1n0j h GLU 187 Ca 0.00 -0.32 -0.17 0.00 0.08 0.00 0.00 59.36 58.95 1n0j h GLU 187 Cb 0.24 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1n0j h GLU 187 CO 0.00 0.92 -0.63 -0.97 -2.18 0.00 0.00 179.01 176.15 1n0j h ASN 188 N 0.17 0.57 -0.53 1.04 -0.73 -1.66 -2.50 115.58 111.95 1n0j h ASN 188 Ca 0.01 -0.34 0.01 0.00 1.87 0.00 0.00 56.30 57.86 1n0j h ASN 188 Cb 0.88 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 1n0j h ASN 188 CO 0.07 1.06 0.34 0.58 -0.37 0.00 0.00 177.43 179.11 1n0j h VAL 189 N 0.37 1.10 -0.02 2.57 2.07 -1.45 -1.79 116.25 119.10 1n0j h VAL 189 Ca -0.01 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1n0j h VAL 189 Cb 1.19 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1n0j h VAL 189 CO 0.11 0.12 -0.49 0.71 0.02 0.00 0.00 177.57 178.05 1n0j h THR 190 N 0.68 1.35 -0.98 2.57 1.35 -1.18 -0.61 112.91 116.09 1n0j h THR 190 Ca 0.20 -1.69 0.03 0.00 -0.55 0.00 0.00 66.41 64.41 1n0j h THR 190 Cb -0.04 1.89 -0.06 0.00 -1.73 0.00 0.00 68.15 68.22 1n0j h THR 190 CO -0.07 0.49 0.65 -0.33 -0.25 0.00 0.00 175.52 176.01 1n0j h GLU 191 N 0.03 1.22 -0.27 4.72 5.08 -0.89 0.39 114.58 124.87 1n0j h GLU 191 Ca -0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1n0j h GLU 191 Cb 0.88 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1n0j h GLU 191 CO 0.07 0.81 -0.43 0.00 -1.00 0.00 0.00 179.01 178.46 1n0j h ARG 192 N 1.26 0.66 -0.50 2.33 3.08 -0.98 -1.32 114.38 118.91 1n0j h ARG 192 Ca 0.39 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1n0j h ARG 192 Cb -0.03 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1n0j h ARG 192 CO -0.11 0.96 0.15 -0.92 -1.07 0.00 0.00 179.97 178.97 1n0j h TYR 193 N 0.54 0.82 -0.87 3.04 3.20 0.51 -2.98 116.97 121.22 1n0j h TYR 193 Ca 0.04 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1n0j h TYR 193 Cb 0.96 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1n0j h TYR 193 CO 0.04 0.71 0.58 0.52 -1.64 0.00 0.00 178.16 178.38 1n0j h MET 194 N 0.68 1.14 -0.01 1.82 2.86 -0.06 -3.08 114.93 118.27 1n0j h MET 194 Ca 0.16 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.53 1n0j h MET 194 Cb 0.29 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1n0j h MET 194 CO -0.00 0.75 -0.87 0.00 1.06 0.00 0.00 176.91 177.85 1n0j h ALA 195 N 1.46 0.47 -0.15 6.32 0.00 -1.08 -2.84 119.26 123.44 1n0j h ALA 195 Ca 0.32 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1n0j h ALA 195 Cb -0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1n0j h ALA 195 CO -0.07 0.84 0.13 0.00 0.00 0.00 0.00 179.25 180.15 1n0j n LYS 197 N 0.97 2.94 0.00 0.00 5.02 -1.09 -4.92 118.16 121.08 1n0j n LYS 197 Ca 0.09 -2.48 0.13 0.00 -2.02 0.00 0.00 58.31 54.03 1n0j n LYS 197 Cb 0.55 -1.59 0.79 0.00 -0.02 0.00 0.00 35.03 34.76 1n0j n LYS 197 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05