#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm9 s HIS 2 N 0.00 2.87 0.03 2.13 3.76 -1.26 -5.06 115.29 117.76 1pm9 s HIS 2 Ca 0.00 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 1pm9 s HIS 2 Cb 0.00 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1pm9 s HIS 2 CO 0.00 -1.45 -0.04 -1.54 -0.85 0.00 0.00 174.74 170.86 1pm9 s SER 3 N -3.40 0.42 -0.26 1.40 1.04 -1.26 -4.95 113.70 106.69 1pm9 s SER 3 Ca 0.61 -0.67 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 1pm9 s SER 3 Cb -0.16 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1pm9 s SER 3 CO 0.51 -0.38 1.23 -0.22 0.98 0.00 0.00 173.24 175.36 1pm9 s LEU 4 N -1.96 3.99 0.66 2.42 2.96 -1.26 -5.00 118.68 120.48 1pm9 s LEU 4 Ca -0.08 1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 55.00 1pm9 s LEU 4 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1pm9 s LEU 4 CO -0.04 -0.93 1.14 -2.16 -1.32 0.00 0.00 176.35 173.05 1pm9 s PRO 5 N 3.82 2.69 0.53 0.98 0.04 -1.26 -5.00 135.00 136.80 1pm9 s PRO 5 Ca 0.53 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1pm9 s PRO 5 Cb -0.17 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1pm9 s PRO 5 CO 0.18 -1.36 0.98 -0.51 0.04 0.00 0.00 177.00 176.33 1pm9 s ASP 6 N -2.33 6.55 0.13 6.66 1.01 -1.26 -5.03 116.67 122.41 1pm9 s ASP 6 Ca 0.70 1.52 -0.27 0.00 0.71 0.00 0.00 52.55 55.21 1pm9 s ASP 6 Cb -0.23 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 1pm9 s ASP 6 CO 0.41 -0.62 0.83 -0.22 0.21 0.00 0.00 175.17 175.77 1pm9 s LEU 7 N -4.25 4.55 0.00 1.23 2.96 -1.26 -4.93 118.68 116.97 1pm9 s LEU 7 Ca 0.58 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1pm9 s LEU 7 Cb -0.10 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1pm9 s LEU 7 CO 0.35 0.10 0.52 -0.81 -1.32 0.00 0.00 176.35 175.20 1pm9 n PRO 8 N 2.11 1.00 -3.70 0.98 -0.04 -1.26 -4.79 135.00 129.30 1pm9 n PRO 8 Ca -0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1pm9 n PRO 8 Cb 0.49 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1pm9 n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1pm9 s TYR 9 N -0.95 -0.16 0.63 0.54 -0.85 -1.26 -5.02 117.35 110.27 1pm9 s TYR 9 Ca 0.00 -0.09 -0.09 0.00 -0.52 0.00 0.00 57.07 56.37 1pm9 s TYR 9 Cb 0.00 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 42.95 1pm9 s TYR 9 CO 0.00 -0.73 0.99 0.16 -1.52 0.00 0.00 175.55 174.44 1pm9 s ASP 10 N -2.85 5.75 0.53 -0.18 1.47 -1.26 -4.96 116.67 115.17 1pm9 s ASP 10 Ca 0.11 1.04 0.29 0.00 1.18 0.00 0.00 52.55 55.17 1pm9 s ASP 10 Cb -0.01 -2.01 1.44 0.00 -0.34 0.00 0.00 42.92 42.00 1pm9 s ASP 10 CO -0.00 -1.07 1.94 1.88 0.68 0.00 0.00 175.17 178.60 1pm9 h TYR 11 N -0.34 0.00 -0.62 2.11 0.05 -1.95 -1.13 116.97 115.09 1pm9 h TYR 11 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1pm9 h TYR 11 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1pm9 h TYR 11 CO 0.53 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.05 1pm9 n GLY 12 N -1.68 2.75 0.29 3.88 0.00 -1.26 -4.05 105.19 105.12 1pm9 n GLY 12 Ca 0.14 -0.79 0.19 0.00 0.00 0.00 0.00 46.02 45.56 1pm9 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm9 h ALA 13 N 3.78 1.02 -0.41 4.61 0.00 -1.55 -2.75 119.26 123.96 1pm9 h ALA 13 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pm9 h ALA 13 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pm9 h ALA 13 CO 0.13 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1pm9 n LEU 14 N -3.13 3.12 -4.74 0.00 4.77 -1.26 -4.39 117.00 111.37 1pm9 n LEU 14 Ca -0.01 -1.39 -0.37 0.00 -0.03 0.00 0.00 56.01 54.21 1pm9 n LEU 14 Cb 0.24 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1pm9 n LEU 14 CO 0.25 0.70 0.89 -1.61 -1.33 0.00 0.00 177.39 176.29 1pm9 s GLU 15 N -1.47 2.79 0.00 3.23 0.41 -1.04 -1.29 118.70 121.32 1pm9 s GLU 15 Ca 0.38 1.98 0.19 0.00 -0.41 0.00 0.00 54.97 57.11 1pm9 s GLU 15 Cb 0.22 -1.92 0.59 0.00 -1.78 0.00 0.00 34.13 31.23 1pm9 s GLU 15 CO 0.30 -1.39 1.45 -0.35 -0.49 0.00 0.00 175.26 174.78 1pm9 n PRO 16 N -1.68 1.90 -0.06 0.39 -0.04 -1.26 -4.87 135.00 129.38 1pm9 n PRO 16 Ca 0.14 -1.37 -0.12 0.00 -0.04 0.00 0.00 63.50 62.11 1pm9 n PRO 16 Cb 0.48 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 1pm9 n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pm9 h HIS 17 N 2.56 0.40 -3.29 0.54 3.86 -1.55 -3.41 115.15 114.26 1pm9 h HIS 17 Ca 0.00 -0.10 -0.52 0.00 -1.16 0.00 0.00 60.37 58.59 1pm9 h HIS 17 Cb 0.57 -0.09 -0.40 0.00 1.06 0.00 0.00 27.41 28.55 1pm9 h HIS 17 CO 0.18 0.66 -0.77 0.42 0.86 0.00 0.00 177.93 179.28 1pm9 s ILE 18 N -4.60 0.59 0.84 2.45 1.01 -0.92 -4.79 121.20 115.77 1pm9 s ILE 18 Ca -0.14 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1pm9 s ILE 18 Cb 0.06 -1.05 0.10 0.00 0.01 0.00 0.00 42.46 41.58 1pm9 s ILE 18 CO 0.74 -0.16 1.15 0.54 0.00 0.00 0.00 174.94 177.20 1pm9 s ASN 19 N 1.83 3.57 0.25 3.58 2.20 -1.26 -3.60 114.94 121.51 1pm9 s ASN 19 Ca -0.01 2.15 -0.03 0.00 -0.94 0.00 0.00 52.86 54.03 1pm9 s ASN 19 Cb -0.17 -2.56 0.49 0.00 -2.00 0.00 0.00 41.25 37.01 1pm9 s ASN 19 CO -0.08 -2.67 1.75 0.00 -2.94 0.00 0.00 177.10 173.16 1pm9 h ALA 20 N -1.34 1.17 -0.50 3.54 0.00 -1.88 -2.56 119.26 117.68 1pm9 h ALA 20 Ca -0.44 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1pm9 h ALA 20 Cb 1.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1pm9 h ALA 20 CO 0.46 -0.15 0.18 0.37 0.00 0.00 0.00 179.25 180.10 1pm9 h GLN 21 N 0.54 0.77 -0.09 0.00 4.15 -1.92 -0.76 115.11 117.80 1pm9 h GLN 21 Ca 0.44 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.72 1pm9 h GLN 21 Cb 0.64 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1pm9 h GLN 21 CO -0.38 0.70 0.00 0.82 -1.93 0.00 0.00 178.83 178.04 1pm9 h ILE 22 N 0.68 0.94 -0.27 2.39 2.04 -1.83 -1.22 117.51 120.23 1pm9 h ILE 22 Ca 0.16 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1pm9 h ILE 22 Cb 0.24 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1pm9 h ILE 22 CO -0.01 0.01 0.17 0.24 0.00 0.00 0.00 178.15 178.56 1pm9 h MET 23 N 0.03 0.35 -0.57 2.37 2.86 -1.31 0.54 114.93 119.20 1pm9 h MET 23 Ca 0.04 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1pm9 h MET 23 Cb 0.05 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1pm9 h MET 23 CO -0.07 0.25 0.35 0.37 1.06 0.00 0.00 176.91 178.87 1pm9 h GLN 24 N 0.35 0.76 -0.23 1.72 -0.00 -0.95 -1.36 115.11 115.42 1pm9 h GLN 24 Ca 0.10 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.65 58.58 1pm9 h GLN 24 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.29 1pm9 h GLN 24 CO -0.02 0.54 -0.27 -0.07 0.00 0.00 0.00 178.83 179.01 1pm9 h LEU 25 N 0.77 0.63 -0.61 -2.39 3.38 -1.11 -1.27 115.31 114.71 1pm9 h LEU 25 Ca 0.20 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1pm9 h LEU 25 Cb -0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1pm9 h LEU 25 CO -0.04 1.00 0.32 -0.74 0.09 0.00 0.00 178.44 179.07 1pm9 h HIS 26 N 0.28 0.59 0.00 1.13 2.76 -0.69 -1.09 115.15 118.13 1pm9 h HIS 26 Ca 0.03 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1pm9 h HIS 26 Cb 0.84 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 1pm9 h HIS 26 CO 0.08 0.28 -0.19 1.25 -1.30 0.00 0.00 177.93 178.06 1pm9 h HIS 27 N 0.61 0.00 0.00 5.26 -0.00 -1.28 -0.89 115.15 118.85 1pm9 h HIS 27 Ca 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.62 1pm9 h HIS 27 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1pm9 h HIS 27 CO -0.09 0.28 -0.08 0.66 -0.00 0.00 0.00 177.93 178.70 1pm9 h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.31 -2.67 113.55 116.47 1pm9 h SER 28 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1pm9 h SER 28 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pm9 h SER 28 CO -0.01 0.08 -0.28 0.29 -0.87 0.00 0.00 176.83 176.04 1pm9 n LYS 29 N -3.22 0.15 0.19 4.77 4.76 -0.48 -4.46 118.16 119.85 1pm9 n LYS 29 Ca 0.00 0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 1pm9 n LYS 29 Cb 0.34 -0.65 -0.05 0.00 -1.84 0.00 0.00 35.03 32.83 1pm9 n LYS 29 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1pm9 h ASN 30 N -0.28 -0.59 -0.94 4.39 -0.00 -1.38 -1.48 115.58 115.30 1pm9 h ASN 30 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1pm9 h ASN 30 Cb 0.28 0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 38.73 1pm9 h ASN 30 CO 0.00 -0.34 0.58 -0.74 -0.00 0.00 0.00 177.43 176.92 1pm9 h HIS 31 N -0.54 1.22 -0.65 0.67 2.76 -1.20 -2.45 115.15 114.96 1pm9 h HIS 31 Ca -0.05 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.20 1pm9 h HIS 31 Cb 0.44 -0.40 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 1pm9 h HIS 31 CO -0.03 0.80 0.33 0.00 -1.30 0.00 0.00 177.93 177.73 1pm9 h ALA 32 N 1.32 0.88 -0.57 5.26 0.00 -1.45 -2.07 119.26 122.61 1pm9 h ALA 32 Ca 0.34 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1pm9 h ALA 32 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1pm9 h ALA 32 CO -0.07 -0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.33 1pm9 h ALA 33 N 1.38 0.75 -0.77 0.00 0.00 -0.84 -2.37 119.26 117.41 1pm9 h ALA 33 Ca 0.31 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1pm9 h ALA 33 Cb 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1pm9 h ALA 33 CO -0.23 0.40 0.48 1.88 0.00 0.00 0.00 179.25 181.78 1pm9 h TYR 34 N 0.80 0.90 0.24 0.00 0.05 -0.95 0.17 116.97 118.18 1pm9 h TYR 34 Ca 0.19 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 1pm9 h TYR 34 Cb 0.26 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1pm9 h TYR 34 CO 0.02 0.50 -0.11 0.28 -1.05 0.00 0.00 178.16 177.79 1pm9 h VAL 35 N 0.93 0.80 -0.19 -2.88 2.07 -1.20 0.18 116.25 115.96 1pm9 h VAL 35 Ca 0.32 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1pm9 h VAL 35 Cb 0.06 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1pm9 h VAL 35 CO -0.13 0.05 0.03 0.78 0.02 0.00 0.00 177.57 178.32 1pm9 h ASN 36 N -0.43 -0.01 -0.94 0.57 -0.26 -1.13 -0.19 115.58 113.19 1pm9 h ASN 36 Ca -0.03 0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1pm9 h ASN 36 Cb 0.33 0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.59 1pm9 h ASN 36 CO 0.05 0.03 0.62 0.78 -1.06 0.00 0.00 177.43 177.85 1pm9 h ASN 37 N 0.11 1.05 -0.44 5.81 2.35 -0.58 -1.71 115.58 122.17 1pm9 h ASN 37 Ca 0.09 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1pm9 h ASN 37 Cb 0.09 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1pm9 h ASN 37 CO -0.12 0.74 0.20 0.25 -1.65 0.00 0.00 177.43 176.84 1pm9 h LEU 38 N 1.22 0.59 -0.80 1.61 5.85 0.16 0.02 115.31 123.96 1pm9 h LEU 38 Ca 0.36 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1pm9 h LEU 38 Cb -0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1pm9 h LEU 38 CO -0.10 0.57 0.36 0.78 -0.34 0.00 0.00 178.44 179.72 1pm9 h ASN 39 N 0.57 1.07 0.06 1.25 2.35 -0.48 0.23 115.58 120.63 1pm9 h ASN 39 Ca 0.15 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pm9 h ASN 39 Cb 0.15 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1pm9 h ASN 39 CO -0.02 0.92 -0.03 0.58 -1.65 0.00 0.00 177.43 177.23 1pm9 h VAL 40 N 1.14 1.04 -0.61 2.81 2.07 -1.03 -1.84 116.25 119.83 1pm9 h VAL 40 Ca 0.27 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1pm9 h VAL 40 Cb 0.15 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1pm9 h VAL 40 CO -0.03 0.09 0.39 0.74 0.02 0.00 0.00 177.57 178.78 1pm9 h THR 41 N -0.24 1.11 -0.49 2.57 2.02 -0.67 -1.63 112.91 115.58 1pm9 h THR 41 Ca -0.01 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1pm9 h THR 41 Cb 0.21 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1pm9 h THR 41 CO 0.01 0.14 0.06 -0.08 0.37 0.00 0.00 175.52 176.03 1pm9 h GLU 42 N 0.78 0.78 -0.26 6.66 4.81 -0.47 -1.60 114.58 125.28 1pm9 h GLU 42 Ca 0.24 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1pm9 h GLU 42 Cb -0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1pm9 h GLU 42 CO -0.08 0.75 -0.41 0.93 -0.73 0.00 0.00 179.01 179.47 1pm9 h GLU 43 N 0.74 0.64 -0.42 1.92 5.08 -0.87 -2.27 114.58 119.41 1pm9 h GLU 43 Ca 0.16 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1pm9 h GLU 43 Cb 0.37 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1pm9 h GLU 43 CO 0.01 0.94 -0.08 0.87 -1.00 0.00 0.00 179.01 179.75 1pm9 h LYS 44 N 0.52 0.72 -0.13 2.33 1.57 -0.95 -2.46 116.57 118.17 1pm9 h LYS 44 Ca 0.04 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1pm9 h LYS 44 Cb 0.94 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1pm9 h LYS 44 CO 0.08 0.78 -0.25 -0.92 -0.57 0.00 0.00 179.45 178.58 1pm9 h TYR 45 N 0.66 0.24 -0.60 -1.35 5.03 -1.02 -1.15 116.97 118.78 1pm9 h TYR 45 Ca 0.12 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1pm9 h TYR 45 Cb 0.52 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 1pm9 h TYR 45 CO 0.02 0.47 0.20 0.37 -1.32 0.00 0.00 178.16 177.90 1pm9 h GLN 46 N 0.20 0.93 -0.17 1.82 5.75 -0.94 0.62 115.11 123.32 1pm9 h GLN 46 Ca 0.03 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1pm9 h GLN 46 Cb 0.56 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1pm9 h GLN 46 CO 0.04 0.82 0.04 0.93 -2.65 0.00 0.00 178.83 178.01 1pm9 h GLU 47 N 0.85 0.27 -0.90 1.69 5.08 -1.19 -1.61 114.58 118.76 1pm9 h GLU 47 Ca 0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1pm9 h GLU 47 Cb 0.27 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1pm9 h GLU 47 CO -0.01 0.42 0.49 0.00 -1.00 0.00 0.00 179.01 178.91 1pm9 h ALA 48 N 0.84 1.16 -0.31 3.43 0.00 -1.06 -0.90 119.26 122.41 1pm9 h ALA 48 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1pm9 h ALA 48 Cb 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pm9 h ALA 48 CO 0.00 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.21 1pm9 h LEU 49 N 1.27 0.51 -1.54 0.00 5.85 -0.78 0.13 115.31 120.75 1pm9 h LEU 49 Ca 0.32 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1pm9 h LEU 49 Cb 0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1pm9 h LEU 49 CO -0.05 0.65 0.05 0.00 -0.34 0.00 0.00 178.44 178.75 1pm9 h ALA 50 N 0.87 1.63 -0.00 1.25 0.00 -0.97 -1.91 119.26 120.13 1pm9 h ALA 50 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pm9 h ALA 50 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pm9 h ALA 50 CO 0.01 0.28 -0.26 1.63 0.00 0.00 0.00 179.25 180.91 1pm9 n LYS 51 N -4.39 0.37 -1.96 0.00 5.02 -0.37 -4.91 118.16 111.91 1pm9 n LYS 51 Ca 0.01 -0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.02 1pm9 n LYS 51 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1pm9 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pm9 n GLY 52 N 1.40 0.28 3.49 0.72 0.00 -0.49 -4.92 105.19 105.67 1pm9 n GLY 52 Ca 0.10 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1pm9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pm9 s ASP 53 N -2.61 6.64 0.25 1.61 -1.08 0.34 -4.84 116.67 116.98 1pm9 s ASP 53 Ca 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 52.55 50.03 1pm9 s ASP 53 Cb 0.00 -2.46 0.30 0.00 -1.46 0.00 0.00 42.92 39.30 1pm9 s ASP 53 CO 0.00 -1.18 1.77 0.58 0.52 0.00 0.00 175.17 176.86 1pm9 h VAL 54 N 6.02 1.24 -0.54 1.11 2.07 -1.91 -1.93 116.25 122.30 1pm9 h VAL 54 Ca 0.20 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1pm9 h VAL 54 Cb 1.00 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1pm9 h VAL 54 CO 1.24 0.35 0.20 0.74 0.02 0.00 0.00 177.57 180.11 1pm9 h THR 55 N 0.83 1.22 -0.69 2.57 2.02 -1.98 -1.26 112.91 115.64 1pm9 h THR 55 Ca 0.17 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1pm9 h THR 55 Cb 0.40 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1pm9 h THR 55 CO 0.01 0.27 0.15 0.00 0.37 0.00 0.00 175.52 176.32 1pm9 h ALA 56 N 1.05 0.96 -0.40 6.16 0.00 -1.91 0.02 119.26 125.14 1pm9 h ALA 56 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pm9 h ALA 56 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1pm9 h ALA 56 CO -0.01 0.66 0.26 1.96 0.00 0.00 0.00 179.25 182.12 1pm9 h GLN 57 N 1.05 0.53 -0.36 0.00 4.20 -0.96 -1.54 115.11 118.03 1pm9 h GLN 57 Ca 0.21 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1pm9 h GLN 57 Cb 0.39 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1pm9 h GLN 57 CO 0.01 0.36 -0.05 0.82 -0.67 0.00 0.00 178.83 179.30 1pm9 h ILE 58 N 0.54 1.27 -0.02 2.54 2.04 -1.04 -2.72 117.51 120.12 1pm9 h ILE 58 Ca 0.15 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1pm9 h ILE 58 Cb -0.05 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1pm9 h ILE 58 CO -0.03 0.36 0.02 0.00 0.00 0.00 0.00 178.15 178.50 1pm9 h ALA 59 N 0.84 1.62 0.00 1.87 0.00 -0.70 -1.78 119.26 121.11 1pm9 h ALA 59 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pm9 h ALA 59 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pm9 h ALA 59 CO 0.03 -0.03 -0.42 1.28 0.00 0.00 0.00 179.25 180.11 1pm9 n LEU 60 N -3.93 0.43 -0.16 0.00 4.77 -0.60 -4.39 117.00 113.11 1pm9 n LEU 60 Ca -0.03 0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1pm9 n LEU 60 Cb 0.11 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1pm9 n LEU 60 CO 0.28 0.08 0.96 1.56 -1.33 0.00 0.00 177.39 178.95 1pm9 h GLN 61 N 0.00 0.34 -0.38 3.23 4.20 -1.18 -1.68 115.11 119.64 1pm9 h GLN 61 Ca 0.00 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1pm9 h GLN 61 Cb 0.52 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1pm9 h GLN 61 CO 0.00 0.22 0.08 -1.35 -0.67 0.00 0.00 178.83 177.11 1pm9 h PRO 62 N 0.35 0.20 -0.77 1.46 0.11 -1.78 0.85 132.00 132.41 1pm9 h PRO 62 Ca 0.24 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1pm9 h PRO 62 Cb 0.27 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1pm9 h PRO 62 CO -0.25 0.13 0.31 0.00 -0.21 0.00 0.00 178.00 177.97 1pm9 h ALA 63 N 1.28 1.08 -0.20 -0.75 0.00 -1.77 -0.10 119.26 118.81 1pm9 h ALA 63 Ca 0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1pm9 h ALA 63 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pm9 h ALA 63 CO -0.24 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 180.85 1pm9 h LEU 64 N 1.12 0.40 -0.24 0.00 7.12 -0.79 -1.21 115.31 121.72 1pm9 h LEU 64 Ca 0.26 -0.39 -0.03 0.00 0.13 0.00 0.00 57.88 57.85 1pm9 h LEU 64 Cb 0.21 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1pm9 h LEU 64 CO -0.02 0.70 0.04 0.50 -0.13 0.00 0.00 178.44 179.53 1pm9 h LYS 65 N 0.10 0.40 0.31 1.25 3.64 -0.71 0.37 116.57 121.93 1pm9 h LYS 65 Ca 0.05 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1pm9 h LYS 65 Cb 0.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1pm9 h LYS 65 CO 0.02 0.53 -0.15 0.35 -2.27 0.00 0.00 179.45 177.93 1pm9 h PHE 66 N 0.21 -0.38 0.12 1.91 3.57 -1.01 0.30 116.94 121.65 1pm9 h PHE 66 Ca 0.07 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.29 1pm9 h PHE 66 Cb 0.32 0.13 0.02 0.00 2.79 0.00 0.00 35.95 39.20 1pm9 h PHE 66 CO 0.02 -0.16 -1.22 -0.91 -2.23 0.00 0.00 178.31 173.81 1pm9 h ASN 67 N -0.53 0.61 -0.20 0.41 4.21 -1.29 -0.68 115.58 118.12 1pm9 h ASN 67 Ca -0.04 -0.60 -0.01 0.00 1.21 0.00 0.00 56.30 56.86 1pm9 h ASN 67 Cb 0.39 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 1pm9 h ASN 67 CO 0.07 1.44 0.08 1.23 -1.29 0.00 0.00 177.43 178.96 1pm9 h GLY 68 N 1.01 0.33 1.37 2.83 0.00 -0.30 -1.11 103.07 107.19 1pm9 h GLY 68 Ca -0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1pm9 h GLY 68 CO 0.21 0.17 0.10 -1.33 0.00 0.00 0.00 176.54 175.69 1pm9 h GLY 69 N 0.17 0.85 0.96 4.60 0.00 -0.44 -1.30 103.07 107.91 1pm9 h GLY 69 Ca 0.07 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1pm9 h GLY 69 CO -0.01 0.47 0.58 -1.33 0.00 0.00 0.00 176.54 176.25 1pm9 h GLY 70 N 0.95 1.26 0.62 4.60 0.00 -0.66 0.15 103.07 109.99 1pm9 h GLY 70 Ca 0.16 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1pm9 h GLY 70 CO 0.00 0.43 -0.03 0.84 0.00 0.00 0.00 176.54 177.78 1pm9 h HIS 71 N 1.17 -0.08 -0.22 5.60 6.17 -0.74 -2.49 115.15 124.57 1pm9 h HIS 71 Ca 0.33 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.46 1pm9 h HIS 71 Cb -0.09 0.02 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 1pm9 h HIS 71 CO -0.01 0.30 -0.06 0.82 0.71 0.00 0.00 177.93 179.69 1pm9 h ILE 72 N -0.47 0.77 0.33 6.26 2.04 -0.97 -1.45 117.51 124.03 1pm9 h ILE 72 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1pm9 h ILE 72 Cb 0.41 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1pm9 h ILE 72 CO 0.01 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.78 1pm9 h ASN 73 N -0.01 -0.38 0.03 1.72 2.35 -0.75 -2.55 115.58 115.99 1pm9 h ASN 73 Ca 0.11 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1pm9 h ASN 73 Cb 0.17 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1pm9 h ASN 73 CO -0.23 -0.22 -0.23 0.45 -1.65 0.00 0.00 177.43 175.56 1pm9 h HIS 74 N -0.51 0.37 -0.36 1.19 3.86 -1.44 0.21 115.15 118.46 1pm9 h HIS 74 Ca -0.05 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1pm9 h HIS 74 Cb 0.39 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1pm9 h HIS 74 CO -0.04 0.55 0.20 0.77 0.86 0.00 0.00 177.93 180.27 1pm9 h SER 75 N 0.31 0.30 -0.03 2.45 0.02 -1.19 -0.91 113.55 114.51 1pm9 h SER 75 Ca 0.05 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pm9 h SER 75 Cb 0.57 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1pm9 h SER 75 CO 0.04 0.22 0.00 0.40 -1.14 0.00 0.00 176.83 176.35 1pm9 h ILE 76 N 0.40 1.23 -0.65 3.27 2.04 -1.10 -3.23 117.51 119.47 1pm9 h ILE 76 Ca 0.15 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.44 1pm9 h ILE 76 Cb 0.04 1.66 -0.12 0.00 -0.74 0.00 0.00 36.82 37.65 1pm9 h ILE 76 CO -0.09 0.19 -0.11 0.15 0.00 0.00 0.00 178.15 178.28 1pm9 h PHE 77 N -0.24 -0.26 -1.00 1.37 3.57 -0.56 -0.48 116.94 119.35 1pm9 h PHE 77 Ca 0.01 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1pm9 h PHE 77 Cb 0.30 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1pm9 h PHE 77 CO 0.03 -0.26 0.65 -1.49 -2.23 0.00 0.00 178.31 175.01 1pm9 h TRP 78 N 0.03 1.21 0.00 0.41 -0.00 -1.19 -0.57 115.95 115.84 1pm9 h TRP 78 Ca 0.33 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.25 1pm9 h TRP 78 Cb 0.51 -0.40 0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1pm9 h TRP 78 CO -0.49 0.65 0.00 1.79 -0.00 0.00 0.00 178.44 180.40 1pm9 h THR 79 N 1.21 0.00 0.00 1.49 1.35 -1.16 -2.92 112.91 112.87 1pm9 h THR 79 Ca 0.42 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1pm9 h THR 79 Cb 0.10 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1pm9 h THR 79 CO -0.15 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.71 1pm9 n ASN 80 N -2.98 0.04 -4.57 5.36 5.03 -0.23 -4.70 115.26 113.21 1pm9 n ASN 80 Ca 0.02 0.50 -0.23 0.00 0.87 0.00 0.00 54.58 55.74 1pm9 n ASN 80 Cb 0.38 -0.51 -0.08 0.00 -1.02 0.00 0.00 39.78 38.54 1pm9 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pm9 s LEU 81 N -3.07 2.92 -0.26 3.41 1.43 -1.10 0.72 118.68 122.73 1pm9 s LEU 81 Ca 0.14 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 52.15 1pm9 s LEU 81 Cb 0.18 -1.44 0.13 0.00 0.03 0.00 0.00 46.19 45.10 1pm9 s LEU 81 CO 0.52 0.02 1.08 -0.55 0.23 0.00 0.00 176.35 177.65 1pm9 s SER 82 N -3.60 -0.37 0.54 2.29 0.15 0.24 -4.58 113.70 108.37 1pm9 s SER 82 Ca 0.31 0.65 0.30 0.00 0.70 0.00 0.00 55.95 57.91 1pm9 s SER 82 Cb -0.06 0.64 1.54 0.00 -1.71 0.00 0.00 66.02 66.43 1pm9 s SER 82 CO 0.18 -0.17 2.09 1.55 1.20 0.00 0.00 173.24 178.09 1pm9 h PRO 83 N 3.65 0.00 -0.50 5.44 0.13 -1.85 -1.65 132.00 137.23 1pm9 h PRO 83 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1pm9 h PRO 83 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1pm9 h PRO 83 CO 0.16 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.12 1pm9 n ASN 84 N -3.53 5.21 -1.46 1.44 4.13 -1.26 -4.98 115.26 114.81 1pm9 n ASN 84 Ca -0.02 -2.93 0.00 0.00 1.68 0.00 0.00 54.58 53.31 1pm9 n ASN 84 Cb 0.23 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1pm9 n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pm9 n GLY 85 N 0.35 0.63 0.00 7.41 0.00 -0.62 -5.04 105.19 107.91 1pm9 n GLY 85 Ca 0.26 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1pm9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pm9 n GLY 86 N 5.00 -2.65 7.00 -0.02 0.00 0.14 -4.63 105.19 110.03 1pm9 n GLY 86 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1pm9 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pm9 n GLY 87 N -0.00 1.02 3.21 -0.02 0.00 -1.26 -4.75 105.19 103.39 1pm9 n GLY 87 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 1pm9 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pm9 s GLU 88 N 0.00 0.95 0.82 1.61 2.02 -1.26 -5.04 118.70 117.80 1pm9 s GLU 88 Ca 0.00 -1.19 -0.11 0.00 0.02 0.00 0.00 54.97 53.69 1pm9 s GLU 88 Cb 0.00 -0.78 0.09 0.00 0.10 0.00 0.00 34.13 33.54 1pm9 s GLU 88 CO 0.00 0.14 1.13 -1.25 0.02 0.00 0.00 175.26 175.30 1pm9 s PRO 89 N -2.63 1.74 -0.18 0.39 0.04 -1.26 -4.99 135.00 128.10 1pm9 s PRO 89 Ca 0.07 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1pm9 s PRO 89 Cb -0.05 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1pm9 s PRO 89 CO 0.02 -2.07 -0.19 0.15 0.04 0.00 0.00 177.00 174.95 1pm9 s LYS 90 N -4.65 3.00 0.00 4.56 -0.14 -1.26 -4.66 119.74 116.59 1pm9 s LYS 90 Ca 0.65 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.43 1pm9 s LYS 90 Cb -0.21 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 1pm9 s LYS 90 CO 0.55 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 175.33 1pm9 n GLY 91 N 4.63 0.27 0.34 -3.33 0.00 -1.26 -4.74 105.19 101.09 1pm9 n GLY 91 Ca -0.21 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.00 1pm9 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pm9 h GLU 92 N 0.00 0.54 -0.25 1.61 5.08 -1.99 -1.99 114.58 117.58 1pm9 h GLU 92 Ca 0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1pm9 h GLU 92 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1pm9 h GLU 92 CO 0.00 0.36 -0.24 1.25 -1.00 0.00 0.00 179.01 179.37 1pm9 h LEU 93 N 0.55 0.48 -0.41 1.33 5.85 -1.91 -0.50 115.31 120.70 1pm9 h LEU 93 Ca 0.24 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1pm9 h LEU 93 Cb 0.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1pm9 h LEU 93 CO -0.07 0.72 -0.05 0.25 -0.34 0.00 0.00 178.44 178.95 1pm9 h LEU 94 N 0.43 0.76 -0.86 2.25 5.85 -1.64 0.40 115.31 122.50 1pm9 h LEU 94 Ca 0.06 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.35 1pm9 h LEU 94 Cb 0.65 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1pm9 h LEU 94 CO 0.05 0.92 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.55 1pm9 h GLU 95 N 0.58 0.65 -0.58 1.25 4.39 -1.20 -0.51 114.58 119.17 1pm9 h GLU 95 Ca 0.11 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1pm9 h GLU 95 Cb 0.56 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1pm9 h GLU 95 CO 0.03 0.79 0.18 0.00 -1.16 0.00 0.00 179.01 178.86 1pm9 h ALA 96 N 1.22 0.76 -0.48 3.43 0.00 -0.85 -0.49 119.26 122.84 1pm9 h ALA 96 Ca 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1pm9 h ALA 96 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pm9 h ALA 96 CO 0.04 0.42 0.07 0.82 0.00 0.00 0.00 179.25 180.61 1pm9 h ILE 97 N 0.81 1.25 -0.16 0.00 2.04 -0.43 -0.02 117.51 121.01 1pm9 h ILE 97 Ca 0.19 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1pm9 h ILE 97 Cb 0.28 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1pm9 h ILE 97 CO -0.01 0.33 0.08 0.11 0.00 0.00 0.00 178.15 178.66 1pm9 h LYS 98 N 0.67 0.22 -0.45 2.37 1.57 -0.94 0.52 116.57 120.54 1pm9 h LYS 98 Ca 0.15 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1pm9 h LYS 98 Cb 0.40 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1pm9 h LYS 98 CO 0.01 0.26 0.16 -0.09 -0.57 0.00 0.00 179.45 179.22 1pm9 h ARG 99 N 0.13 0.32 0.00 3.15 2.43 -0.89 0.62 114.38 120.14 1pm9 h ARG 99 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1pm9 h ARG 99 Cb 0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1pm9 h ARG 99 CO -0.01 0.21 -0.72 -0.44 -1.51 0.00 0.00 179.97 177.51 1pm9 h ASP 100 N 0.33 0.00 0.00 -3.80 3.32 -0.87 -3.38 116.42 112.02 1pm9 h ASP 100 Ca 0.21 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1pm9 h ASP 100 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pm9 h ASP 100 CO -0.22 0.03 0.00 0.49 -1.72 0.00 0.00 179.24 177.83 1pm9 n PHE 101 N -2.55 0.00 0.00 4.55 3.72 0.16 -5.02 117.46 118.32 1pm9 n PHE 101 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1pm9 n PHE 101 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1pm9 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pm9 n GLY 102 N 0.08 2.42 3.83 1.37 0.00 0.22 -4.53 105.19 108.57 1pm9 n GLY 102 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 1pm9 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pm9 s SER 103 N 0.00 -0.17 0.25 1.61 1.04 -1.25 -4.75 113.70 110.43 1pm9 s SER 103 Ca 0.00 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1pm9 s SER 103 Cb 0.00 0.67 0.30 0.00 0.10 0.00 0.00 66.02 67.09 1pm9 s SER 103 CO 0.00 -1.27 1.59 0.15 0.98 0.00 0.00 173.24 174.68 1pm9 h PHE 104 N 2.00 0.20 -0.06 5.02 3.04 -1.91 -2.35 116.94 122.88 1pm9 h PHE 104 Ca -0.23 -0.08 -0.19 0.00 3.98 0.00 0.00 57.97 61.45 1pm9 h PHE 104 Cb 1.24 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.71 1pm9 h PHE 104 CO 0.64 0.72 -0.77 -0.44 -2.02 0.00 0.00 178.31 176.44 1pm9 h ASP 105 N 0.12 0.46 -0.50 0.41 3.32 -1.96 -0.86 116.42 117.40 1pm9 h ASP 105 Ca -0.01 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 1pm9 h ASP 105 Cb 1.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1pm9 h ASP 105 CO 0.09 1.07 -0.17 0.11 -1.72 0.00 0.00 179.24 178.61 1pm9 h LYS 106 N 0.25 1.01 -0.22 3.56 1.57 -1.83 -0.79 116.57 120.12 1pm9 h LYS 106 Ca -0.04 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pm9 h LYS 106 Cb 1.35 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1pm9 h LYS 106 CO 0.13 1.09 0.13 0.35 -0.57 0.00 0.00 179.45 180.58 1pm9 h PHE 107 N 0.88 0.29 -0.81 -1.35 3.57 -1.27 -0.44 116.94 117.81 1pm9 h PHE 107 Ca 0.12 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1pm9 h PHE 107 Cb 0.75 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1pm9 h PHE 107 CO 0.05 0.24 0.52 0.87 -2.23 0.00 0.00 178.31 177.76 1pm9 h LYS 108 N 0.26 0.96 -0.89 1.11 1.57 -0.95 -0.29 116.57 118.33 1pm9 h LYS 108 Ca 0.08 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1pm9 h LYS 108 Cb 0.04 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 1pm9 h LYS 108 CO -0.01 0.64 0.59 0.93 -0.57 0.00 0.00 179.45 181.02 1pm9 h GLU 109 N 0.99 1.17 -0.15 3.15 4.39 -0.62 -0.27 114.58 123.24 1pm9 h GLU 109 Ca 0.33 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1pm9 h GLU 109 Cb 0.05 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1pm9 h GLU 109 CO -0.13 0.77 -0.06 0.87 -1.16 0.00 0.00 179.01 179.31 1pm9 h LYS 110 N 1.20 0.29 -0.25 2.33 1.79 -0.02 -1.10 116.57 120.81 1pm9 h LYS 110 Ca 0.33 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.61 1pm9 h LYS 110 Cb -0.12 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1pm9 h LYS 110 CO -0.08 0.60 -0.15 1.25 -1.08 0.00 0.00 179.45 180.00 1pm9 h LEU 111 N -0.03 0.42 -0.06 2.94 5.85 -0.95 -1.61 115.31 121.86 1pm9 h LEU 111 Ca 0.03 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1pm9 h LEU 111 Cb 0.51 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1pm9 h LEU 111 CO 0.02 0.60 0.02 0.74 -0.34 0.00 0.00 178.44 179.47 1pm9 h THR 112 N 0.40 1.19 -0.30 1.05 2.02 -0.95 -0.97 112.91 115.36 1pm9 h THR 112 Ca 0.07 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1pm9 h THR 112 Cb 0.50 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1pm9 h THR 112 CO 0.03 0.16 0.06 0.00 0.37 0.00 0.00 175.52 176.14 1pm9 h ALA 113 N 0.80 0.31 -0.62 6.16 0.00 -0.91 0.42 119.26 125.42 1pm9 h ALA 113 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pm9 h ALA 113 Cb 0.24 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1pm9 h ALA 113 CO 0.00 -0.35 0.35 0.00 0.00 0.00 0.00 179.25 179.25 1pm9 h ALA 114 N 1.22 0.79 -0.08 0.00 0.00 -1.22 0.64 119.26 120.61 1pm9 h ALA 114 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pm9 h ALA 114 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pm9 h ALA 114 CO -0.18 0.30 -0.01 0.77 0.00 0.00 0.00 179.25 180.13 1pm9 h SER 115 N 0.84 0.15 0.55 0.00 0.02 -0.78 -2.87 113.55 111.46 1pm9 h SER 115 Ca 0.22 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1pm9 h SER 115 Cb 0.02 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1pm9 h SER 115 CO -0.04 0.44 -0.17 0.58 -1.14 0.00 0.00 176.83 176.50 1pm9 h VAL 116 N -0.15 0.61 0.00 2.27 2.07 -0.84 -2.95 116.25 117.25 1pm9 h VAL 116 Ca 0.02 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pm9 h VAL 116 Cb 0.37 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1pm9 h VAL 116 CO 0.01 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1pm9 n GLY 117 N -0.39 -1.51 3.64 2.17 0.00 0.21 -4.82 105.19 104.50 1pm9 n GLY 117 Ca -0.01 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1pm9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pm9 s VAL 118 N -3.16 3.27 -0.41 1.61 1.01 -1.12 -4.94 120.40 116.66 1pm9 s VAL 118 Ca 0.08 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 1pm9 s VAL 118 Cb 0.12 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1pm9 s VAL 118 CO 0.51 -0.07 0.81 -1.10 0.00 0.00 0.00 175.10 175.24 1pm9 s GLN 119 N 4.78 3.60 0.33 2.72 -0.21 -1.26 -4.82 119.66 124.81 1pm9 s GLN 119 Ca 0.84 0.15 0.00 0.00 0.02 0.00 0.00 55.36 56.38 1pm9 s GLN 119 Cb -0.35 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 29.79 1pm9 s GLN 119 CO 0.35 -1.00 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 1pm9 n GLY 120 N 4.74 -0.66 3.83 3.09 0.00 -1.26 -4.94 105.19 109.98 1pm9 n GLY 120 Ca 0.03 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1pm9 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pm9 s SER 121 N -4.00 6.97 0.00 1.61 0.01 -1.26 -4.86 113.70 112.17 1pm9 s SER 121 Ca 0.00 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1pm9 s SER 121 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1pm9 s SER 121 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1pm9 n GLY 122 N 0.79 -1.18 3.02 3.44 0.00 -1.26 -0.32 105.19 109.68 1pm9 n GLY 122 Ca -0.04 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 1pm9 n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pm9 s TRP 123 N -3.00 0.54 -0.08 1.61 0.52 0.48 -0.98 118.94 118.03 1pm9 s TRP 123 Ca 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 1pm9 s TRP 123 Cb 0.00 -0.33 -0.03 0.00 -1.15 0.00 0.00 33.47 31.96 1pm9 s TRP 123 CO 0.00 -0.08 -0.02 0.20 0.02 0.00 0.00 176.95 177.07 1pm9 s GLY 124 N -1.21 1.79 0.02 0.98 0.00 0.40 -0.94 107.32 108.36 1pm9 s GLY 124 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1pm9 s GLY 124 CO 0.00 -0.58 -0.06 -0.98 0.00 0.00 0.00 173.10 171.48 1pm9 s TRP 125 N -0.80 0.55 -0.27 1.90 0.52 0.11 0.27 118.94 121.21 1pm9 s TRP 125 Ca 0.12 -0.30 -0.07 0.00 0.02 0.00 0.00 56.10 55.87 1pm9 s TRP 125 Cb -0.11 -0.34 -0.01 0.00 -1.15 0.00 0.00 33.47 31.86 1pm9 s TRP 125 CO 0.02 -0.05 0.08 -1.17 0.02 0.00 0.00 176.95 175.85 1pm9 s LEU 126 N -0.86 3.65 0.44 2.99 2.96 0.19 -1.16 118.68 126.89 1pm9 s LEU 126 Ca -0.04 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1pm9 s LEU 126 Cb -0.06 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1pm9 s LEU 126 CO 0.00 -0.12 0.10 -0.83 -1.32 0.00 0.00 176.35 174.18 1pm9 s GLY 127 N 1.56 2.72 -0.14 7.98 0.00 0.52 -1.20 107.32 118.77 1pm9 s GLY 127 Ca 0.05 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1pm9 s GLY 127 CO 0.03 -1.92 -0.21 -0.12 0.00 0.00 0.00 173.10 170.88 1pm9 s PHE 128 N -3.12 2.67 -0.47 1.90 5.36 0.04 -1.00 117.98 123.37 1pm9 s PHE 128 Ca 0.19 -1.22 -0.20 0.00 -0.96 0.00 0.00 56.93 54.73 1pm9 s PHE 128 Cb 0.02 -1.81 0.04 0.00 -0.34 0.00 0.00 43.02 40.93 1pm9 s PHE 128 CO 0.12 -0.55 0.66 1.21 -1.46 0.00 0.00 175.22 175.20 1pm9 s ASN 129 N 0.72 6.29 0.18 6.13 3.84 0.63 -1.63 114.94 131.10 1pm9 s ASN 129 Ca -0.09 -0.53 -0.00 0.00 0.21 0.00 0.00 52.86 52.44 1pm9 s ASN 129 Cb -0.16 -2.32 0.08 0.00 -0.55 0.00 0.00 41.25 38.30 1pm9 s ASN 129 CO 0.01 -0.85 1.45 0.11 -2.79 0.00 0.00 177.10 175.02 1pm9 h LYS 130 N 8.95 0.35 -0.62 0.43 1.57 -1.86 0.43 116.57 125.83 1pm9 h LYS 130 Ca -0.26 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1pm9 h LYS 130 Cb 1.09 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1pm9 h LYS 130 CO 0.93 0.94 0.34 1.49 -0.57 0.00 0.00 179.45 182.58 1pm9 h GLU 131 N 0.24 0.85 0.00 3.15 4.81 -1.95 -3.03 114.58 118.65 1pm9 h GLU 131 Ca -0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1pm9 h GLU 131 Cb 1.30 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1pm9 h GLU 131 CO 0.12 0.62 -1.18 0.54 -0.73 0.00 0.00 179.01 178.39 1pm9 n ARG 132 N -4.39 0.98 -2.65 1.92 5.12 -1.19 -5.02 116.66 111.44 1pm9 n ARG 132 Ca 0.06 -0.06 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1pm9 n ARG 132 Cb 0.09 -1.36 0.02 0.00 -1.16 0.00 0.00 32.46 30.05 1pm9 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pm9 n GLY 133 N 1.43 0.08 3.37 -0.13 0.00 0.15 -5.04 105.19 105.06 1pm9 n GLY 133 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1pm9 n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pm9 s HIS 134 N -2.86 0.60 0.60 1.61 -3.43 -0.95 -4.99 115.29 105.87 1pm9 s HIS 134 Ca 0.15 -0.93 -0.15 0.00 -0.80 0.00 0.00 55.06 53.34 1pm9 s HIS 134 Cb -0.07 -0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 30.91 1pm9 s HIS 134 CO 0.19 -0.77 1.04 -0.51 -2.00 0.00 0.00 174.74 172.69 1pm9 s LEU 135 N -3.04 3.44 -0.22 5.38 1.43 -1.26 -0.27 118.68 124.14 1pm9 s LEU 135 Ca 0.25 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.87 1pm9 s LEU 135 Cb 0.03 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.80 1pm9 s LEU 135 CO 0.06 -1.06 0.57 -1.58 0.23 0.00 0.00 176.35 174.57 1pm9 s GLN 136 N -4.33 0.63 0.06 1.70 0.74 -0.17 -4.78 119.66 113.50 1pm9 s GLN 136 Ca 0.61 0.90 -0.18 0.00 0.05 0.00 0.00 55.36 56.74 1pm9 s GLN 136 Cb -0.14 0.21 -0.06 0.00 1.10 0.00 0.00 33.01 34.12 1pm9 s GLN 136 CO 0.40 -0.11 0.53 0.42 -0.55 0.00 0.00 175.29 175.97 1pm9 s ILE 137 N 0.86 4.82 0.14 -2.34 -1.09 -1.26 -0.35 121.20 121.97 1pm9 s ILE 137 Ca -0.04 1.10 -0.12 0.00 -2.23 0.00 0.00 60.65 59.36 1pm9 s ILE 137 Cb -0.05 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1pm9 s ILE 137 CO -0.07 0.55 0.33 0.00 -1.23 0.00 0.00 174.94 174.52 1pm9 s ALA 138 N -1.12 -0.42 0.00 9.38 0.00 -0.31 -4.96 121.76 124.33 1pm9 s ALA 138 Ca 0.28 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.75 1pm9 s ALA 138 Cb -0.19 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1pm9 s ALA 138 CO 0.18 -0.64 -0.11 0.00 0.00 0.00 0.00 175.76 175.19 1pm9 s ALA 139 N -3.89 0.92 -0.01 0.00 0.00 -1.26 0.06 121.76 117.58 1pm9 s ALA 139 Ca 0.10 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1pm9 s ALA 139 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1pm9 s ALA 139 CO -0.06 0.20 -0.18 0.00 0.00 0.00 0.00 175.76 175.73 1pm9 s PRO 141 N -0.43 4.39 3.62 0.00 0.04 -1.26 -0.39 135.00 140.98 1pm9 s PRO 141 Ca 0.07 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1pm9 s PRO 141 Cb -0.07 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1pm9 s PRO 141 CO -0.01 0.11 0.00 0.09 0.04 0.00 0.00 177.00 177.23 1pm9 n ASN 142 N -0.05 0.00 -0.76 6.66 3.02 0.56 -1.61 115.26 123.08 1pm9 n ASN 142 Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.66 1pm9 n ASN 142 Cb 0.52 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.86 1pm9 n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pm9 n GLN 143 N 14.00 2.63 -1.68 3.52 1.13 -1.26 -4.17 117.38 131.54 1pm9 n GLN 143 Ca 0.00 -2.08 -0.52 0.00 -1.94 0.00 0.00 57.00 52.45 1pm9 n GLN 143 Cb 0.00 -1.32 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 1pm9 n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pm9 n ASP 144 N 0.75 2.93 -4.78 1.08 9.92 -0.63 -3.93 116.55 121.89 1pm9 n ASP 144 Ca 0.14 0.97 -0.36 0.00 -0.53 0.00 0.00 54.79 55.01 1pm9 n ASP 144 Cb 0.45 -1.27 -0.02 0.00 -0.64 0.00 0.00 41.12 39.64 1pm9 n ASP 144 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1pm9 s PRO 145 N 4.04 3.83 0.07 -0.24 0.04 -1.26 -4.67 135.00 136.81 1pm9 s PRO 145 Ca 0.96 1.57 -0.35 0.00 0.04 0.00 0.00 61.00 63.23 1pm9 s PRO 145 Cb -0.86 -2.31 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 1pm9 s PRO 145 CO 0.57 -0.44 1.59 1.25 0.04 0.00 0.00 177.00 180.01 1pm9 h LEU 146 N 1.94 -1.08 -0.42 -3.56 5.85 -1.90 -2.78 115.31 113.36 1pm9 h LEU 146 Ca -0.49 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1pm9 h LEU 146 Cb 1.23 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 1pm9 h LEU 146 CO 0.60 -0.67 0.17 -0.61 -0.34 0.00 0.00 178.44 177.59 1pm9 h GLN 147 N -1.07 0.63 0.00 1.25 4.15 -1.84 0.18 115.11 118.40 1pm9 h GLN 147 Ca -0.09 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 1pm9 h GLN 147 Cb 0.86 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 1pm9 h GLN 147 CO 0.10 0.58 -0.14 0.78 -1.93 0.00 0.00 178.83 178.22 1pm9 h GLY 148 N 0.54 0.00 0.00 2.39 0.00 -1.86 -1.12 103.07 103.01 1pm9 h GLY 148 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1pm9 h GLY 148 CO -0.01 0.00 -1.55 -1.30 0.00 0.00 0.00 176.54 173.68 1pm9 n THR 149 N -3.75 0.01 0.00 4.70 -2.24 -1.05 -4.76 114.28 107.20 1pm9 n THR 149 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1pm9 n THR 149 Cb 0.25 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1pm9 n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pm9 n THR 150 N -1.92 0.00 0.00 4.28 -2.24 0.04 -5.02 114.28 109.42 1pm9 n THR 150 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1pm9 n THR 150 Cb 0.32 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1pm9 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pm9 n GLY 151 N 2.21 2.13 3.77 3.38 0.00 -0.42 -5.01 105.19 111.24 1pm9 n GLY 151 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1pm9 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm9 s LEU 152 N 0.00 4.34 -0.20 0.99 1.43 -1.26 -4.79 118.68 119.20 1pm9 s LEU 152 Ca 0.00 2.26 -0.24 0.00 -1.03 0.00 0.00 54.13 55.12 1pm9 s LEU 152 Cb 0.00 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 1pm9 s LEU 152 CO 0.00 -0.40 0.78 -0.63 0.23 0.00 0.00 176.35 176.33 1pm9 s ILE 153 N -1.35 4.90 0.14 -0.59 -1.09 -0.64 -2.67 121.20 119.89 1pm9 s ILE 153 Ca 0.52 1.51 -0.31 0.00 -2.23 0.00 0.00 60.65 60.13 1pm9 s ILE 153 Cb -0.30 -4.09 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 1pm9 s ILE 153 CO 0.38 0.01 1.41 -2.16 -1.23 0.00 0.00 174.94 173.35 1pm9 s PRO 154 N 2.32 4.31 -0.08 2.79 0.04 -1.26 -0.78 135.00 142.34 1pm9 s PRO 154 Ca 0.35 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 1pm9 s PRO 154 Cb -0.16 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1pm9 s PRO 154 CO 0.10 -0.44 -0.12 1.28 0.04 0.00 0.00 177.00 177.86 1pm9 n LEU 155 N 3.65 0.75 -3.73 -3.56 4.77 -0.34 -4.93 117.00 113.61 1pm9 n LEU 155 Ca 0.11 0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1pm9 n LEU 155 Cb 0.42 -0.30 -0.17 0.00 -2.33 0.00 0.00 43.42 41.04 1pm9 n LEU 155 CO 0.59 0.09 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.18 1pm9 s LEU 156 N -6.61 0.70 0.04 2.23 2.96 -0.91 -4.56 118.68 112.53 1pm9 s LEU 156 Ca -0.13 0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1pm9 s LEU 156 Cb 0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.60 1pm9 s LEU 156 CO 0.16 -0.18 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.99 1pm9 s GLY 157 N 1.52 1.54 -0.23 7.98 0.00 -1.26 -0.63 107.32 116.23 1pm9 s GLY 157 Ca -0.03 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1pm9 s GLY 157 CO -0.03 -1.09 -0.13 -0.42 0.00 0.00 0.00 173.10 171.43 1pm9 s ILE 158 N -0.90 2.02 -0.24 0.90 1.01 0.14 -4.88 121.20 119.25 1pm9 s ILE 158 Ca 0.14 -1.33 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 1pm9 s ILE 158 Cb -0.10 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1pm9 s ILE 158 CO 0.04 0.15 1.18 -0.62 0.00 0.00 0.00 174.94 175.69 1pm9 s ASP 159 N 1.21 6.92 -0.20 3.58 -1.08 -1.26 -0.45 116.67 125.39 1pm9 s ASP 159 Ca -0.04 1.37 0.15 0.00 -0.52 0.00 0.00 52.55 53.52 1pm9 s ASP 159 Cb -0.17 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.26 1pm9 s ASP 159 CO -0.08 -0.84 1.42 1.33 0.52 0.00 0.00 175.17 177.52 1pm9 n VAL 160 N 5.66 2.32 -2.22 1.11 0.24 -0.15 -4.82 118.33 120.46 1pm9 n VAL 160 Ca 0.13 -2.05 -0.38 0.00 -2.04 0.00 0.00 64.34 60.00 1pm9 n VAL 160 Cb 0.46 -0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.55 1pm9 n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1pm9 s TRP 161 N -2.91 2.92 0.48 6.34 0.52 -1.20 -4.40 118.94 120.68 1pm9 s TRP 161 Ca 0.42 1.52 0.16 0.00 0.02 0.00 0.00 56.10 58.22 1pm9 s TRP 161 Cb 0.35 -3.44 1.15 0.00 -1.15 0.00 0.00 33.47 30.38 1pm9 s TRP 161 CO 0.07 -1.57 2.04 0.93 0.02 0.00 0.00 176.95 178.44 1pm9 h GLU 162 N 2.33 0.22 0.00 4.98 5.08 -1.93 -0.54 114.58 124.72 1pm9 h GLU 162 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1pm9 h GLU 162 Cb 1.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pm9 h GLU 162 CO 0.61 0.15 0.00 1.12 -1.00 0.00 0.00 179.01 179.89 1pm9 h HIS 163 N 0.23 0.00 0.00 4.33 2.07 -1.98 0.11 115.15 119.91 1pm9 h HIS 163 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1pm9 h HIS 163 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 1pm9 h HIS 163 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1pm9 n ALA 164 N -2.06 2.21 0.00 6.11 0.00 -0.21 -4.53 120.51 122.04 1pm9 n ALA 164 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pm9 n ALA 164 Cb 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1pm9 n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pm9 n TYR 165 N -1.93 0.00 -0.22 0.00 0.18 -0.68 -4.98 117.16 109.52 1pm9 n TYR 165 Ca 0.06 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.85 1pm9 n TYR 165 Cb 0.37 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.42 1pm9 n TYR 165 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1pm9 h PHE 166 N 0.00 -0.18 -0.90 -3.48 3.57 -0.97 0.29 116.94 115.26 1pm9 h PHE 166 Ca 0.00 0.05 0.24 0.00 3.53 0.00 0.00 57.97 61.79 1pm9 h PHE 166 Cb 0.00 0.18 -0.13 0.00 2.79 0.00 0.00 35.95 38.79 1pm9 h PHE 166 CO 0.00 -0.23 0.38 -0.07 -2.23 0.00 0.00 178.31 176.15 1pm9 h LEU 167 N 0.06 0.28 0.02 0.59 3.38 -1.87 0.30 115.31 118.06 1pm9 h LEU 167 Ca 0.33 0.17 -0.39 0.00 0.09 0.00 0.00 57.88 58.08 1pm9 h LEU 167 Cb 0.54 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1pm9 h LEU 167 CO -0.62 -0.05 -2.38 1.67 0.09 0.00 0.00 178.44 177.15 1pm9 n GLN 168 N -5.09 0.66 0.00 1.13 7.27 -0.69 -4.63 117.38 116.04 1pm9 n GLN 168 Ca 0.23 0.19 0.10 0.00 0.07 0.00 0.00 57.00 57.58 1pm9 n GLN 168 Cb 0.70 -1.56 0.07 0.00 2.41 0.00 0.00 30.24 31.87 1pm9 n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1pm9 n TYR 169 N -3.41 0.00 -0.89 3.69 4.01 0.94 -5.06 117.16 116.44 1pm9 n TYR 169 Ca -0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1pm9 n TYR 169 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 1pm9 n TYR 169 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1pm9 n LYS 170 N 0.96 0.00 0.00 -0.72 4.01 0.10 -1.03 118.16 121.49 1pm9 n LYS 170 Ca 0.11 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.05 1pm9 n LYS 170 Cb 0.47 0.00 0.62 0.00 -0.51 0.00 0.00 35.03 35.61 1pm9 n LYS 170 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1pm9 n ASN 171 N 2.69 0.33 -3.89 4.39 3.02 -1.26 -4.10 115.26 116.43 1pm9 n ASN 171 Ca 0.00 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.75 1pm9 n ASN 171 Cb 0.00 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1pm9 n ASN 171 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1pm9 n VAL 172 N -1.11 3.43 -0.09 2.41 0.31 -0.20 -4.73 118.33 118.36 1pm9 n VAL 172 Ca 0.13 -3.11 0.09 0.00 -0.01 0.00 0.00 64.34 61.44 1pm9 n VAL 172 Cb 0.28 -2.54 0.45 0.00 -0.91 0.00 0.00 33.84 31.12 1pm9 n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1pm9 h ARG 173 N 6.44 0.50 -0.42 5.55 2.43 -1.81 -1.90 114.38 125.16 1pm9 h ARG 173 Ca 0.54 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.70 1pm9 h ARG 173 Cb 0.69 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1pm9 h ARG 173 CO 1.81 0.33 0.28 -1.35 -1.51 0.00 0.00 179.97 179.53 1pm9 h PRO 174 N 0.52 0.48 -0.08 0.20 0.11 -1.97 -0.56 132.00 130.70 1pm9 h PRO 174 Ca 0.26 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 1pm9 h PRO 174 Cb 0.34 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1pm9 h PRO 174 CO -0.07 0.32 -0.68 -0.44 -0.21 0.00 0.00 178.00 176.92 1pm9 h ASP 175 N 0.50 0.42 -0.49 -2.05 3.32 -1.74 -1.83 116.42 114.56 1pm9 h ASP 175 Ca 0.17 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1pm9 h ASP 175 Cb 0.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1pm9 h ASP 175 CO -0.04 0.98 0.09 0.22 -1.72 0.00 0.00 179.24 178.77 1pm9 h TYR 176 N 0.25 0.85 -0.75 4.55 3.20 -1.21 -1.38 116.97 122.49 1pm9 h TYR 176 Ca -0.02 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.69 1pm9 h TYR 176 Cb 1.23 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1pm9 h TYR 176 CO 0.04 0.78 0.27 -0.07 -1.64 0.00 0.00 178.16 177.53 1pm9 h LEU 177 N 0.69 1.05 -0.34 2.82 -0.00 -1.02 -1.56 115.31 116.94 1pm9 h LEU 177 Ca 0.15 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1pm9 h LEU 177 Cb 0.37 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1pm9 h LEU 177 CO 0.01 0.95 0.11 0.50 -0.00 0.00 0.00 178.44 180.01 1pm9 h LYS 178 N 1.10 0.53 -0.53 1.13 3.64 -1.05 -3.20 116.57 118.19 1pm9 h LYS 178 Ca 0.25 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1pm9 h LYS 178 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1pm9 h LYS 178 CO -0.02 0.56 -0.07 0.00 -2.27 0.00 0.00 179.45 177.65 1pm9 h ALA 179 N 0.95 0.87 -0.03 5.00 0.00 -1.06 -3.25 119.26 121.74 1pm9 h ALA 179 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1pm9 h ALA 179 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pm9 h ALA 179 CO -0.00 0.65 0.02 0.97 0.00 0.00 0.00 179.25 180.89 1pm9 h ILE 180 N 0.87 0.79 -0.06 0.00 2.10 -1.27 -1.84 117.51 118.10 1pm9 h ILE 180 Ca 0.14 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.10 1pm9 h ILE 180 Cb 0.61 0.98 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1pm9 h ILE 180 CO 0.04 0.00 0.08 -0.50 -1.08 0.00 0.00 178.15 176.69 1pm9 h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.66 -0.88 115.95 119.66 1pm9 h TRP 181 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1pm9 h TRP 181 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1pm9 h TRP 181 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 1pm9 h ASN 182 N 0.00 0.00 0.00 -3.49 2.35 -1.55 -3.22 115.58 109.66 1pm9 h ASN 182 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1pm9 h ASN 182 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1pm9 h ASN 182 CO -0.00 0.00 -0.09 1.33 -1.65 0.00 0.00 177.43 177.02 1pm9 n VAL 183 N -2.41 1.23 -2.39 2.81 0.24 -0.34 -3.42 118.33 114.04 1pm9 n VAL 183 Ca 0.02 -1.44 -0.42 0.00 -2.04 0.00 0.00 64.34 60.47 1pm9 n VAL 183 Cb 0.26 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 1pm9 n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1pm9 s ILE 184 N -1.77 3.86 -1.09 1.34 -1.09 -1.17 -0.59 121.20 120.70 1pm9 s ILE 184 Ca 0.17 1.39 -0.15 0.00 -2.23 0.00 0.00 60.65 59.83 1pm9 s ILE 184 Cb 0.15 -3.89 0.16 0.00 -1.58 0.00 0.00 42.46 37.30 1pm9 s ILE 184 CO 0.02 0.14 1.28 0.21 -1.23 0.00 0.00 174.94 175.36 1pm9 s ASN 185 N 0.80 6.91 0.60 3.58 3.84 0.22 0.26 114.94 131.16 1pm9 s ASN 185 Ca 0.57 -2.67 0.40 0.00 0.21 0.00 0.00 52.86 51.37 1pm9 s ASN 185 Cb -0.31 -2.38 2.05 0.00 -0.55 0.00 0.00 41.25 40.06 1pm9 s ASN 185 CO 0.31 -0.83 2.20 -0.50 -2.79 0.00 0.00 177.10 175.50 1pm9 h TRP 186 N 7.76 0.00 -0.27 0.43 4.06 -1.85 -1.48 115.95 124.60 1pm9 h TRP 186 Ca 0.24 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.04 1pm9 h TRP 186 Cb 0.93 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 1pm9 h TRP 186 CO 1.11 0.00 -0.47 0.93 -3.56 0.00 0.00 178.44 176.45 1pm9 h GLU 187 N 0.00 0.70 -0.26 0.49 5.08 -1.96 -0.02 114.58 118.61 1pm9 h GLU 187 Ca 0.00 -0.40 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1pm9 h GLU 187 Cb 0.12 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1pm9 h GLU 187 CO 0.00 1.01 -0.22 -0.97 -1.00 0.00 0.00 179.01 177.83 1pm9 h ASN 188 N 0.56 0.64 -0.83 1.42 -0.73 -1.56 -1.26 115.58 113.81 1pm9 h ASN 188 Ca 0.03 -0.46 -0.02 0.00 1.87 0.00 0.00 56.30 57.73 1pm9 h ASN 188 Cb 1.02 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 39.39 1pm9 h ASN 188 CO 0.10 0.97 0.46 0.58 -0.37 0.00 0.00 177.43 179.16 1pm9 h VAL 189 N 0.33 1.24 -0.57 2.57 2.07 -1.38 -0.68 116.25 119.83 1pm9 h VAL 189 Ca 0.05 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1pm9 h VAL 189 Cb 0.77 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1pm9 h VAL 189 CO 0.06 0.27 0.29 0.74 0.02 0.00 0.00 177.57 178.94 1pm9 h THR 190 N 1.16 1.20 -0.19 2.57 2.02 -0.86 -0.31 112.91 118.50 1pm9 h THR 190 Ca 0.29 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1pm9 h THR 190 Cb 0.03 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1pm9 h THR 190 CO -0.05 0.22 -0.13 -0.33 0.37 0.00 0.00 175.52 175.61 1pm9 h GLU 191 N 0.77 0.30 -0.19 6.66 5.08 -0.63 0.22 114.58 126.79 1pm9 h GLU 191 Ca 0.20 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 1pm9 h GLU 191 Cb 0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pm9 h GLU 191 CO -0.03 0.44 -0.62 0.00 -1.00 0.00 0.00 179.01 177.80 1pm9 h ARG 192 N 0.28 0.66 -0.22 2.33 3.08 -0.55 -2.26 114.38 117.70 1pm9 h ARG 192 Ca 0.06 -0.46 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 1pm9 h ARG 192 Cb 0.41 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1pm9 h ARG 192 CO 0.02 1.08 -0.06 -0.92 -1.07 0.00 0.00 179.97 179.02 1pm9 h TYR 193 N 0.49 0.48 0.00 3.04 3.20 -0.37 -2.99 116.97 120.81 1pm9 h TYR 193 Ca -0.01 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 1pm9 h TYR 193 Cb 1.20 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1pm9 h TYR 193 CO 0.06 0.67 -0.13 0.52 -1.64 0.00 0.00 178.16 177.63 1pm9 h MET 194 N 0.16 0.00 0.00 1.82 2.86 -0.56 -1.49 114.93 117.72 1pm9 h MET 194 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1pm9 h MET 194 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1pm9 h MET 194 CO 0.02 0.13 0.00 0.00 1.06 0.00 0.00 176.91 178.13 1pm9 h ALA 195 N 1.87 1.00 0.00 6.32 0.00 -1.26 -3.51 119.26 123.68 1pm9 h ALA 195 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pm9 h ALA 195 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pm9 h ALA 195 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27