#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja8 s HIS 2 N 0.00 3.14 0.13 5.64 3.76 -1.26 -5.05 115.29 121.65 1ja8 s HIS 2 Ca 0.00 1.60 0.06 0.00 -0.15 0.00 0.00 55.06 56.57 1ja8 s HIS 2 Cb 0.00 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1ja8 s HIS 2 CO 0.00 -0.99 -0.14 -1.54 -0.85 0.00 0.00 174.74 171.22 1ja8 s SER 3 N -1.40 2.03 -0.28 1.40 1.04 -1.26 -4.93 113.70 110.29 1ja8 s SER 3 Ca 0.59 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 1ja8 s SER 3 Cb -0.26 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1ja8 s SER 3 CO 0.32 -0.16 1.22 -0.22 0.98 0.00 0.00 173.24 175.38 1ja8 s LEU 4 N -2.58 3.95 0.31 2.42 2.96 -1.26 -5.01 118.68 119.47 1ja8 s LEU 4 Ca 0.11 1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 54.97 1ja8 s LEU 4 Cb -0.04 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 1ja8 s LEU 4 CO 0.03 -0.96 1.12 -2.16 -1.32 0.00 0.00 176.35 173.06 1ja8 s PRO 5 N 3.88 4.51 0.57 0.98 0.04 -1.26 -5.00 135.00 138.71 1ja8 s PRO 5 Ca 0.52 1.81 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 1ja8 s PRO 5 Cb -0.16 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1ja8 s PRO 5 CO 0.19 0.09 1.26 -0.51 0.04 0.00 0.00 177.00 178.06 1ja8 s ASP 6 N -0.95 5.28 0.50 6.66 -0.00 -1.26 -4.96 116.67 121.94 1ja8 s ASP 6 Ca 0.48 2.52 -0.21 0.00 -0.00 0.00 0.00 52.55 55.34 1ja8 s ASP 6 Cb -0.31 -2.61 -0.07 0.00 -0.00 0.00 0.00 42.92 39.92 1ja8 s ASP 6 CO 0.40 -1.54 1.10 -0.76 -0.00 0.00 0.00 175.17 174.37 1ja8 s LEU 7 N -3.78 3.87 0.00 1.23 1.43 -1.26 -4.90 118.68 115.26 1ja8 s LEU 7 Ca 0.74 2.11 0.23 0.00 -1.03 0.00 0.00 54.13 56.19 1ja8 s LEU 7 Cb -0.34 -4.47 1.33 0.00 0.03 0.00 0.00 46.19 42.73 1ja8 s LEU 7 CO 0.39 -0.95 1.86 -0.81 0.23 0.00 0.00 176.35 177.06 1ja8 n PRO 8 N -0.92 1.08 -3.63 1.29 -0.04 -1.26 -4.87 135.00 126.65 1ja8 n PRO 8 Ca 0.09 -0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 1ja8 n PRO 8 Cb 0.51 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1ja8 n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1ja8 n TYR 9 N -0.74 -1.80 -2.33 0.54 4.11 -1.26 -5.10 117.16 110.58 1ja8 n TYR 9 Ca 0.17 -1.91 -0.38 0.00 -0.00 0.00 0.00 57.90 55.78 1ja8 n TYR 9 Cb 0.11 0.67 -0.02 0.00 -0.00 0.00 0.00 39.34 40.09 1ja8 n TYR 9 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1ja8 s ASP 10 N -2.92 6.63 0.56 9.48 2.15 -1.26 -4.91 116.67 126.40 1ja8 s ASP 10 Ca 0.20 2.32 0.29 0.00 0.43 0.00 0.00 52.55 55.79 1ja8 s ASP 10 Cb -0.03 -2.61 1.47 0.00 -0.30 0.00 0.00 42.92 41.45 1ja8 s ASP 10 CO 0.15 -0.60 1.92 1.88 -0.17 0.00 0.00 175.17 178.36 1ja8 h TYR 11 N 2.77 0.00 -0.63 -5.34 0.05 -1.97 0.24 116.97 112.09 1ja8 h TYR 11 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1ja8 h TYR 11 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1ja8 h TYR 11 CO 0.56 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.08 1ja8 n GLY 12 N -1.59 2.65 0.27 3.88 0.00 -1.26 -4.16 105.19 104.97 1ja8 n GLY 12 Ca 0.11 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1ja8 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja8 h ALA 13 N 3.73 1.22 -0.53 4.61 0.00 -0.86 -2.88 119.26 124.55 1ja8 h ALA 13 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ja8 h ALA 13 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ja8 h ALA 13 CO 0.05 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1ja8 n LEU 14 N -3.54 3.33 -4.77 0.00 4.77 -1.26 -4.39 117.00 111.14 1ja8 n LEU 14 Ca -0.02 -1.67 -0.36 0.00 -0.03 0.00 0.00 56.01 53.93 1ja8 n LEU 14 Cb 0.24 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ja8 n LEU 14 CO 0.29 0.69 0.81 -0.70 -1.33 0.00 0.00 177.39 177.16 1ja8 s GLU 15 N -1.50 3.42 0.00 3.23 2.56 -1.09 -1.77 118.70 123.55 1ja8 s GLU 15 Ca 0.38 1.71 0.24 0.00 0.00 0.00 0.00 54.97 57.30 1ja8 s GLU 15 Cb 0.22 -2.12 0.80 0.00 2.00 0.00 0.00 34.13 35.02 1ja8 s GLU 15 CO 0.22 -0.82 1.59 -0.35 -0.56 0.00 0.00 175.26 175.35 1ja8 n PRO 16 N -1.08 1.82 0.14 4.30 -0.04 -1.26 -4.89 135.00 133.99 1ja8 n PRO 16 Ca 0.11 -1.21 -0.13 0.00 -0.04 0.00 0.00 63.50 62.22 1ja8 n PRO 16 Cb 0.50 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1ja8 n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ja8 h HIS 17 N 2.67 -0.46 -3.41 0.54 3.86 -1.68 -3.38 115.15 113.30 1ja8 h HIS 17 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1ja8 h HIS 17 Cb 0.58 0.18 -0.37 0.00 1.06 0.00 0.00 27.41 28.85 1ja8 h HIS 17 CO 0.06 -0.27 -0.80 0.42 0.86 0.00 0.00 177.93 178.21 1ja8 s ILE 18 N -6.12 1.41 0.91 2.45 1.01 -0.89 -4.80 121.20 115.17 1ja8 s ILE 18 Ca -0.15 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1ja8 s ILE 18 Cb 0.06 -1.56 0.14 0.00 0.01 0.00 0.00 42.46 41.11 1ja8 s ILE 18 CO 0.65 0.12 1.09 0.54 0.00 0.00 0.00 174.94 177.34 1ja8 s ASN 19 N 1.49 3.35 0.18 3.58 2.20 -1.26 -3.58 114.94 120.90 1ja8 s ASN 19 Ca -0.01 1.53 -0.14 0.00 -0.94 0.00 0.00 52.86 53.30 1ja8 s ASN 19 Cb -0.16 -2.20 0.08 0.00 -2.00 0.00 0.00 41.25 36.96 1ja8 s ASN 19 CO -0.08 -2.72 1.84 0.00 -2.94 0.00 0.00 177.10 173.20 1ja8 h ALA 20 N -1.61 0.68 -0.40 3.54 0.00 -1.89 -2.92 119.26 116.66 1ja8 h ALA 20 Ca -0.50 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.46 1ja8 h ALA 20 Cb 1.28 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1ja8 h ALA 20 CO 0.54 0.11 -0.04 0.37 0.00 0.00 0.00 179.25 180.22 1ja8 h GLN 21 N 0.72 0.06 0.57 0.00 4.15 -1.93 -0.15 115.11 118.52 1ja8 h GLN 21 Ca 0.20 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1ja8 h GLN 21 Cb -0.07 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1ja8 h GLN 21 CO -0.05 0.04 -0.39 0.82 -1.93 0.00 0.00 178.83 177.32 1ja8 h ILE 22 N 0.06 0.21 -0.45 2.39 2.04 -1.92 -0.80 117.51 119.03 1ja8 h ILE 22 Ca 0.20 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.15 1ja8 h ILE 22 Cb 0.29 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.48 1ja8 h ILE 22 CO -0.37 0.00 -0.22 0.24 0.00 0.00 0.00 178.15 177.80 1ja8 h MET 23 N -0.92 -0.12 -0.70 2.37 2.86 -1.28 0.66 114.93 117.80 1ja8 h MET 23 Ca -0.07 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1ja8 h MET 23 Cb 0.77 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.41 1ja8 h MET 23 CO 0.04 -0.08 0.45 0.37 1.06 0.00 0.00 176.91 178.75 1ja8 h GLN 24 N -0.13 0.87 -0.12 1.72 4.15 -0.91 -0.24 115.11 120.45 1ja8 h GLN 24 Ca 0.21 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 1ja8 h GLN 24 Cb 0.46 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1ja8 h GLN 24 CO -0.53 0.57 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.85 1ja8 h LEU 25 N 0.90 0.23 -0.55 -2.39 3.38 0.06 -0.07 115.31 116.86 1ja8 h LEU 25 Ca 0.27 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1ja8 h LEU 25 Cb -0.04 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1ja8 h LEU 25 CO -0.08 0.54 0.22 -0.74 0.09 0.00 0.00 178.44 178.46 1ja8 h HIS 26 N -0.08 0.38 0.06 1.13 2.76 0.60 0.08 115.15 120.08 1ja8 h HIS 26 Ca 0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1ja8 h HIS 26 Cb 0.44 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1ja8 h HIS 26 CO 0.05 0.12 -0.03 1.25 -1.30 0.00 0.00 177.93 178.02 1ja8 h HIS 27 N 0.41 -0.08 0.00 5.26 -0.00 -1.06 0.46 115.15 120.15 1ja8 h HIS 27 Ca 0.27 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.62 1ja8 h HIS 27 Cb 0.29 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1ja8 h HIS 27 CO -0.15 -0.05 -0.09 0.66 -0.00 0.00 0.00 177.93 178.30 1ja8 h SER 28 N -0.94 0.00 0.00 3.26 4.64 -1.06 -2.92 113.55 116.52 1ja8 h SER 28 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ja8 h SER 28 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ja8 h SER 28 CO 0.01 0.09 -0.09 0.29 -0.87 0.00 0.00 176.83 176.26 1ja8 n LYS 29 N -3.24 0.05 0.26 4.77 4.76 -0.05 -4.46 118.16 120.25 1ja8 n LYS 29 Ca 0.00 0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.29 1ja8 n LYS 29 Cb 0.34 -0.37 -0.09 0.00 -1.84 0.00 0.00 35.03 33.07 1ja8 n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ja8 h HIS 30 N -0.09 -1.19 -0.61 2.13 3.86 -1.34 -0.45 115.15 117.46 1ja8 h HIS 30 Ca 0.00 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1ja8 h HIS 30 Cb 0.09 0.46 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1ja8 h HIS 30 CO -0.04 -0.59 0.13 1.25 0.86 0.00 0.00 177.93 179.55 1ja8 h HIS 31 N -0.88 1.03 -0.43 2.45 -0.00 -0.97 -2.50 115.15 113.86 1ja8 h HIS 31 Ca -0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.19 1ja8 h HIS 31 Cb 0.78 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1ja8 h HIS 31 CO -0.23 0.88 0.24 0.00 -0.00 0.00 0.00 177.93 178.81 1ja8 h ALA 32 N 1.03 1.61 -0.51 5.26 0.00 -1.40 -1.64 119.26 123.62 1ja8 h ALA 32 Ca 0.19 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ja8 h ALA 32 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ja8 h ALA 32 CO 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 179.25 179.47 1ja8 h ALA 33 N 1.67 0.82 -0.09 0.00 0.00 -0.65 -2.08 119.26 118.93 1ja8 h ALA 33 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ja8 h ALA 33 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ja8 h ALA 33 CO -0.03 0.66 0.05 1.88 0.00 0.00 0.00 179.25 181.81 1ja8 h TYR 34 N 0.85 0.09 -0.23 0.00 0.99 -0.93 -0.17 116.97 117.58 1ja8 h TYR 34 Ca 0.13 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 1ja8 h TYR 34 Cb 0.67 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.36 1ja8 h TYR 34 CO 0.04 0.06 0.14 0.28 -0.00 0.00 0.00 178.16 178.68 1ja8 h VAL 35 N 0.11 1.09 0.15 -2.88 2.07 -1.37 0.47 116.25 115.87 1ja8 h VAL 35 Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1ja8 h VAL 35 Cb -0.00 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ja8 h VAL 35 CO -0.02 0.08 -0.07 0.78 0.02 0.00 0.00 177.57 178.36 1ja8 h ASN 36 N 0.29 -0.17 -0.78 0.57 2.35 -1.25 -0.09 115.58 116.50 1ja8 h ASN 36 Ca 0.08 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ja8 h ASN 36 Cb 0.01 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1ja8 h ASN 36 CO -0.02 -0.09 0.48 0.78 -1.65 0.00 0.00 177.43 176.93 1ja8 h ASN 37 N -0.23 0.93 0.40 5.81 -0.26 -0.86 -1.54 115.58 119.84 1ja8 h ASN 37 Ca -0.02 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 1ja8 h ASN 37 Cb 0.18 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1ja8 h ASN 37 CO 0.03 0.70 -0.20 0.25 -1.06 0.00 0.00 177.43 177.15 1ja8 h LEU 38 N 1.07 -0.49 -1.16 1.61 5.85 0.26 0.36 115.31 122.81 1ja8 h LEU 38 Ca 0.28 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.14 1ja8 h LEU 38 Cb -0.06 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1ja8 h LEU 38 CO -0.05 -0.34 0.59 0.78 -0.34 0.00 0.00 178.44 179.08 1ja8 h ASN 39 N -0.56 0.80 -0.01 1.25 2.35 -0.61 0.26 115.58 119.07 1ja8 h ASN 39 Ca -0.05 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ja8 h ASN 39 Cb 0.43 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ja8 h ASN 39 CO 0.08 0.44 -0.00 0.58 -1.65 0.00 0.00 177.43 176.88 1ja8 h VAL 40 N 0.87 1.28 -0.63 2.81 2.07 -0.94 -2.28 116.25 119.42 1ja8 h VAL 40 Ca 0.45 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ja8 h VAL 40 Cb 0.52 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1ja8 h VAL 40 CO -0.21 0.22 0.41 0.74 0.02 0.00 0.00 177.57 178.75 1ja8 h THR 41 N -0.32 1.17 -0.67 2.57 2.02 -0.16 -2.38 112.91 115.13 1ja8 h THR 41 Ca 0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1ja8 h THR 41 Cb 0.35 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1ja8 h THR 41 CO 0.00 0.17 0.37 -0.33 0.37 0.00 0.00 175.52 176.10 1ja8 h GLU 42 N 0.86 0.93 -0.23 6.66 5.08 -0.50 -0.79 114.58 126.59 1ja8 h GLU 42 Ca 0.23 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1ja8 h GLU 42 Cb -0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1ja8 h GLU 42 CO -0.05 0.68 -0.34 1.49 -1.00 0.00 0.00 179.01 179.79 1ja8 h GLU 43 N 0.94 0.50 0.00 2.33 4.22 -1.00 -1.39 114.58 120.17 1ja8 h GLU 43 Ca 0.24 -0.22 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 1ja8 h GLU 43 Cb 0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1ja8 h GLU 43 CO -0.04 0.77 -0.51 0.87 -2.18 0.00 0.00 179.01 177.92 1ja8 h LYS 44 N 0.42 0.00 -0.38 1.92 1.57 -0.89 -2.56 116.57 116.65 1ja8 h LYS 44 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1ja8 h LYS 44 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1ja8 h LYS 44 CO 0.06 0.51 -0.24 1.88 -0.57 0.00 0.00 179.45 181.10 1ja8 h TYR 45 N 0.00 0.98 -0.77 -1.35 0.05 -0.61 -0.51 116.97 114.76 1ja8 h TYR 45 Ca -0.01 -0.26 0.04 0.00 0.05 0.00 0.00 58.73 58.55 1ja8 h TYR 45 Cb 0.91 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 1ja8 h TYR 45 CO 0.00 1.04 0.48 0.37 -1.05 0.00 0.00 178.16 179.00 1ja8 h GLN 46 N 0.64 0.89 -0.02 4.88 5.75 -1.00 0.14 115.11 126.39 1ja8 h GLN 46 Ca 0.08 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1ja8 h GLN 46 Cb 0.81 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1ja8 h GLN 46 CO 0.07 0.59 0.00 0.93 -2.65 0.00 0.00 178.83 177.77 1ja8 h GLU 47 N 0.92 0.03 -0.71 1.69 4.39 -1.22 -1.40 114.58 118.28 1ja8 h GLU 47 Ca 0.32 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.02 1ja8 h GLU 47 Cb 0.06 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1ja8 h GLU 47 CO -0.13 0.32 0.46 0.00 -1.16 0.00 0.00 179.01 178.50 1ja8 h ALA 48 N 0.71 0.91 -0.13 3.43 0.00 -0.75 -1.51 119.26 121.92 1ja8 h ALA 48 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ja8 h ALA 48 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ja8 h ALA 48 CO 0.00 0.29 0.06 1.25 0.00 0.00 0.00 179.25 180.85 1ja8 h LEU 49 N 0.93 0.17 -1.98 0.00 5.85 -0.68 0.96 115.31 120.56 1ja8 h LEU 49 Ca 0.27 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ja8 h LEU 49 Cb -0.07 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1ja8 h LEU 49 CO -0.07 0.24 0.03 0.00 -0.34 0.00 0.00 178.44 178.30 1ja8 h ALA 50 N 0.93 2.00 0.00 1.25 0.00 -0.95 -1.45 119.26 121.04 1ja8 h ALA 50 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ja8 h ALA 50 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ja8 h ALA 50 CO -0.01 -0.00 -0.52 1.63 0.00 0.00 0.00 179.25 180.35 1ja8 n LYS 51 N -4.53 0.05 -2.23 0.00 5.02 -0.60 -4.94 118.16 110.93 1ja8 n LYS 51 Ca -0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1ja8 n LYS 51 Cb 0.10 -1.53 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1ja8 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ja8 n GLY 52 N 1.47 -0.10 3.45 0.72 0.00 0.12 -4.93 105.19 105.92 1ja8 n GLY 52 Ca 0.05 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 1ja8 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ja8 s ASP 53 N -2.49 6.78 0.29 1.61 3.68 -0.01 -4.86 116.67 121.68 1ja8 s ASP 53 Ca 0.00 -2.37 -0.00 0.00 2.13 0.00 0.00 52.55 52.31 1ja8 s ASP 53 Cb -0.00 -2.40 0.45 0.00 -1.45 0.00 0.00 42.92 39.52 1ja8 s ASP 53 CO 0.01 -0.95 1.86 0.58 0.13 0.00 0.00 175.17 176.79 1ja8 h VAL 54 N 5.43 1.21 0.33 1.11 2.07 -1.92 -2.33 116.25 122.15 1ja8 h VAL 54 Ca 0.21 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ja8 h VAL 54 Cb 0.97 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1ja8 h VAL 54 CO 1.15 0.28 -0.22 0.74 0.02 0.00 0.00 177.57 179.54 1ja8 h THR 55 N 0.80 0.55 -0.49 2.57 2.02 -1.98 -1.09 112.91 115.28 1ja8 h THR 55 Ca 0.18 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1ja8 h THR 55 Cb 0.23 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1ja8 h THR 55 CO -0.01 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.07 1ja8 h ALA 56 N 0.11 0.61 -0.71 6.16 0.00 -1.94 0.21 119.26 123.70 1ja8 h ALA 56 Ca -0.03 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ja8 h ALA 56 Cb 0.45 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1ja8 h ALA 56 CO 0.02 -0.20 0.33 1.96 0.00 0.00 0.00 179.25 181.36 1ja8 h GLN 57 N 0.38 0.53 -0.18 0.00 4.20 -1.18 0.17 115.11 119.02 1ja8 h GLN 57 Ca 0.23 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 1ja8 h GLN 57 Cb 0.23 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1ja8 h GLN 57 CO -0.23 0.35 -0.64 0.82 -0.67 0.00 0.00 178.83 178.46 1ja8 h ILE 58 N 0.54 1.31 -0.52 2.54 2.04 -0.04 -3.04 117.51 120.34 1ja8 h ILE 58 Ca 0.36 -1.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.29 1ja8 h ILE 58 Cb 0.43 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1ja8 h ILE 58 CO -0.30 0.59 0.16 0.00 0.00 0.00 0.00 178.15 178.60 1ja8 h ALA 59 N 0.80 1.31 0.00 1.87 0.00 0.19 -2.30 119.26 121.12 1ja8 h ALA 59 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ja8 h ALA 59 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ja8 h ALA 59 CO 0.13 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1ja8 n LEU 60 N -4.31 0.43 -0.15 0.00 4.32 0.52 -4.06 117.00 113.76 1ja8 n LEU 60 Ca 0.04 0.58 -0.07 0.00 -0.02 0.00 0.00 56.01 56.54 1ja8 n LEU 60 Cb 0.19 -0.49 0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1ja8 n LEU 60 CO 0.39 -0.33 1.04 1.56 -1.22 0.00 0.00 177.39 178.84 1ja8 h GLN 61 N 0.00 0.54 -0.57 3.23 4.20 -1.30 -1.47 115.11 119.75 1ja8 h GLN 61 Ca 0.00 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1ja8 h GLN 61 Cb 0.43 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 1ja8 h GLN 61 CO 0.00 0.36 0.25 -1.35 -0.67 0.00 0.00 178.83 177.42 1ja8 h PRO 62 N 0.56 0.45 -0.37 1.46 0.11 -1.78 -0.76 132.00 131.67 1ja8 h PRO 62 Ca 0.17 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.12 1ja8 h PRO 62 Cb -0.02 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1ja8 h PRO 62 CO -0.07 0.30 -0.32 0.00 -0.21 0.00 0.00 178.00 177.70 1ja8 h ALA 63 N 1.35 0.73 -0.19 -0.75 0.00 -1.79 -1.38 119.26 117.23 1ja8 h ALA 63 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ja8 h ALA 63 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ja8 h ALA 63 CO -0.23 0.66 0.10 1.25 0.00 0.00 0.00 179.25 181.03 1ja8 h LEU 64 N 0.70 0.25 -0.34 0.00 7.12 -0.80 -1.37 115.31 120.86 1ja8 h LEU 64 Ca 0.07 -0.11 -0.10 0.00 0.13 0.00 0.00 57.88 57.88 1ja8 h LEU 64 Cb 0.87 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1ja8 h LEU 64 CO 0.08 0.28 -0.17 0.50 -0.13 0.00 0.00 178.44 179.00 1ja8 h LYS 65 N 0.19 0.72 0.34 1.25 3.64 -1.14 0.27 116.57 121.84 1ja8 h LYS 65 Ca 0.07 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1ja8 h LYS 65 Cb 0.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ja8 h LYS 65 CO -0.01 0.92 -0.16 0.35 -2.27 0.00 0.00 179.45 178.28 1ja8 h PHE 66 N 0.50 -0.42 -0.03 1.91 3.04 -1.19 0.18 116.94 120.93 1ja8 h PHE 66 Ca 0.08 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 1ja8 h PHE 66 Cb 0.71 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1ja8 h PHE 66 CO 0.06 -0.14 -0.17 -0.91 -2.02 0.00 0.00 178.31 175.13 1ja8 h ASN 67 N -0.67 0.21 -0.33 0.41 4.21 -1.33 0.16 115.58 118.25 1ja8 h ASN 67 Ca -0.05 -0.66 0.05 0.00 1.21 0.00 0.00 56.30 56.85 1ja8 h ASN 67 Cb 0.47 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.56 1ja8 h ASN 67 CO 0.08 0.84 0.05 1.23 -1.29 0.00 0.00 177.43 178.33 1ja8 h GLY 68 N -0.40 0.37 0.81 2.83 0.00 -0.56 0.63 103.07 106.75 1ja8 h GLY 68 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1ja8 h GLY 68 CO 0.04 -0.03 0.52 -1.33 0.00 0.00 0.00 176.54 175.73 1ja8 h GLY 69 N 0.16 1.20 0.92 4.60 0.00 -0.61 -0.70 103.07 108.65 1ja8 h GLY 69 Ca 0.16 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ja8 h GLY 69 CO -0.21 0.30 0.37 -1.33 0.00 0.00 0.00 176.54 175.67 1ja8 h GLY 70 N 0.98 0.83 0.88 4.60 0.00 0.77 -0.57 103.07 110.56 1ja8 h GLY 70 Ca 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ja8 h GLY 70 CO -0.14 0.25 0.04 0.84 0.00 0.00 0.00 176.54 177.53 1ja8 h HIS 71 N 0.74 0.12 0.24 5.60 6.17 -0.18 -1.35 115.15 126.48 1ja8 h HIS 71 Ca 0.23 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.31 1ja8 h HIS 71 Cb -0.02 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 1ja8 h HIS 71 CO -0.05 0.21 -0.34 0.82 0.71 0.00 0.00 177.93 179.28 1ja8 h ILE 72 N 0.00 0.28 -0.56 6.26 2.04 -0.86 -0.94 117.51 123.73 1ja8 h ILE 72 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1ja8 h ILE 72 Cb 0.14 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1ja8 h ILE 72 CO -0.00 0.00 0.21 0.78 0.00 0.00 0.00 178.15 179.14 1ja8 h ASN 73 N -0.64 0.78 0.38 1.72 2.35 -1.11 -2.76 115.58 116.30 1ja8 h ASN 73 Ca 0.00 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 1ja8 h ASN 73 Cb 0.62 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1ja8 h ASN 73 CO -0.13 0.75 -0.61 0.45 -1.65 0.00 0.00 177.43 176.24 1ja8 h HIS 74 N 0.77 0.28 -0.60 1.19 3.86 -1.19 -0.35 115.15 119.12 1ja8 h HIS 74 Ca 0.19 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1ja8 h HIS 74 Cb 0.22 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1ja8 h HIS 74 CO 0.01 0.77 0.19 0.77 0.86 0.00 0.00 177.93 180.53 1ja8 h SER 75 N 0.16 0.83 -0.12 2.45 0.02 -1.05 -2.38 113.55 113.45 1ja8 h SER 75 Ca -0.01 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.63 1ja8 h SER 75 Cb 1.11 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1ja8 h SER 75 CO 0.09 0.78 -0.64 0.40 -1.14 0.00 0.00 176.83 176.32 1ja8 h ILE 76 N 0.87 1.33 -0.43 3.27 2.04 -1.32 -3.32 117.51 119.95 1ja8 h ILE 76 Ca 0.20 -1.90 0.08 0.00 1.00 0.00 0.00 64.86 64.23 1ja8 h ILE 76 Cb 0.24 2.11 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 1ja8 h ILE 76 CO -0.01 0.59 -0.00 0.15 0.00 0.00 0.00 178.15 178.88 1ja8 h PHE 77 N 0.31 -0.03 -0.66 1.37 3.57 -0.66 -2.04 116.94 118.79 1ja8 h PHE 77 Ca -0.05 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1ja8 h PHE 77 Cb 1.28 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.04 1ja8 h PHE 77 CO 0.10 -0.09 0.35 -1.49 -2.23 0.00 0.00 178.31 174.95 1ja8 h TRP 78 N 0.11 0.63 0.00 0.41 -0.00 -1.54 -1.29 115.95 114.27 1ja8 h TRP 78 Ca 0.21 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 59.10 1ja8 h TRP 78 Cb 0.30 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1ja8 h TRP 78 CO -0.28 0.27 -0.11 1.79 -0.00 0.00 0.00 178.44 180.10 1ja8 h THR 79 N 0.62 0.26 0.00 1.49 1.35 -1.59 -2.67 112.91 112.38 1ja8 h THR 79 Ca 0.31 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1ja8 h THR 79 Cb 0.26 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1ja8 h THR 79 CO -0.22 0.11 0.00 0.59 -0.25 0.00 0.00 175.52 175.75 1ja8 n ASN 80 N -3.22 0.00 -4.57 5.36 5.03 -0.50 -4.68 115.26 112.68 1ja8 n ASN 80 Ca 0.01 0.40 -0.27 0.00 0.87 0.00 0.00 54.58 55.60 1ja8 n ASN 80 Cb 0.41 -0.46 -0.09 0.00 -1.02 0.00 0.00 39.78 38.61 1ja8 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ja8 s LEU 81 N -2.92 2.97 -0.27 3.41 1.43 -1.01 0.52 118.68 122.81 1ja8 s LEU 81 Ca 0.12 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 1ja8 s LEU 81 Cb 0.14 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.79 1ja8 s LEU 81 CO 0.38 0.10 0.76 -0.55 0.23 0.00 0.00 176.35 177.27 1ja8 s SER 82 N -2.86 -0.74 0.42 2.29 0.15 0.12 -4.60 113.70 108.49 1ja8 s SER 82 Ca 0.25 1.38 0.29 0.00 0.70 0.00 0.00 55.95 58.57 1ja8 s SER 82 Cb -0.09 1.38 1.33 0.00 -1.71 0.00 0.00 66.02 66.94 1ja8 s SER 82 CO 0.15 -0.23 1.88 1.55 1.20 0.00 0.00 173.24 177.79 1ja8 h PRO 83 N 5.20 0.00 -0.41 5.44 0.13 -1.84 -1.15 132.00 139.37 1ja8 h PRO 83 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ja8 h PRO 83 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ja8 h PRO 83 CO 0.07 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.93 1ja8 n ASN 84 N -2.64 3.26 -3.31 1.44 3.02 -1.26 -5.00 115.26 110.78 1ja8 n ASN 84 Ca 0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1ja8 n ASN 84 Cb 0.21 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1ja8 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ja8 n GLY 85 N 1.19 -1.59 0.00 7.41 0.00 -0.43 -5.02 105.19 106.75 1ja8 n GLY 85 Ca 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1ja8 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja8 n GLY 86 N 3.44 -1.30 7.00 -0.02 0.00 -0.73 -4.64 105.19 108.93 1ja8 n GLY 86 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1ja8 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja8 n GLY 87 N 0.00 1.02 3.39 -0.02 0.00 -1.26 -4.81 105.19 103.51 1ja8 n GLY 87 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1ja8 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ja8 s GLU 88 N 0.00 1.45 0.95 1.61 2.02 -1.26 -5.02 118.70 118.45 1ja8 s GLU 88 Ca 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 54.97 53.15 1ja8 s GLU 88 Cb 0.00 -1.21 0.20 0.00 0.10 0.00 0.00 34.13 33.22 1ja8 s GLU 88 CO 0.00 0.14 1.31 -1.25 0.02 0.00 0.00 175.26 175.49 1ja8 s PRO 89 N -3.66 0.70 0.35 0.39 0.04 -1.26 -5.01 135.00 126.55 1ja8 s PRO 89 Ca 0.26 -0.42 0.03 0.00 0.04 0.00 0.00 61.00 60.91 1ja8 s PRO 89 Cb 0.01 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1ja8 s PRO 89 CO 0.10 -2.37 0.11 1.63 0.04 0.00 0.00 177.00 176.51 1ja8 n LYS 90 N -3.73 0.68 0.00 4.56 5.02 -1.26 -4.72 118.16 118.71 1ja8 n LYS 90 Ca 0.15 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 1ja8 n LYS 90 Cb 0.59 1.48 0.00 0.00 -0.02 0.00 0.00 35.03 37.08 1ja8 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ja8 n GLY 91 N -0.25 2.45 0.25 0.72 0.00 -1.26 -2.96 105.19 104.14 1ja8 n GLY 91 Ca -0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1ja8 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ja8 h GLU 92 N 0.00 -0.45 -0.66 1.61 5.08 -1.99 -1.18 114.58 117.00 1ja8 h GLU 92 Ca 0.00 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 1ja8 h GLU 92 Cb 0.00 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 1ja8 h GLU 92 CO 0.00 -0.30 -0.27 1.25 -1.00 0.00 0.00 179.01 178.69 1ja8 h LEU 93 N -0.46 -0.95 -0.61 1.33 6.46 -1.94 0.52 115.31 119.65 1ja8 h LEU 93 Ca -0.01 0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1ja8 h LEU 93 Cb 0.42 0.53 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 1ja8 h LEU 93 CO -0.03 -0.28 0.40 0.25 -0.62 0.00 0.00 178.44 178.17 1ja8 h LEU 94 N -0.09 0.68 -0.50 2.25 5.85 -1.41 -0.49 115.31 121.61 1ja8 h LEU 94 Ca 0.29 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1ja8 h LEU 94 Cb 0.54 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1ja8 h LEU 94 CO -0.72 0.49 0.19 -0.08 -0.34 0.00 0.00 178.44 177.98 1ja8 h GLU 95 N 0.81 0.36 -0.28 1.25 4.81 0.82 0.61 114.58 122.96 1ja8 h GLU 95 Ca 0.23 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1ja8 h GLU 95 Cb -0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1ja8 h GLU 95 CO -0.06 0.24 -0.07 0.00 -0.73 0.00 0.00 179.01 178.39 1ja8 h ALA 96 N 1.33 1.38 0.33 2.92 0.00 0.48 -2.39 119.26 123.31 1ja8 h ALA 96 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ja8 h ALA 96 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ja8 h ALA 96 CO -0.24 0.43 -0.16 0.82 0.00 0.00 0.00 179.25 180.10 1ja8 h ILE 97 N 0.42 0.62 -0.01 0.00 2.04 0.54 0.51 117.51 121.64 1ja8 h ILE 97 Ca 0.09 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ja8 h ILE 97 Cb 0.38 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1ja8 h ILE 97 CO 0.02 0.11 0.03 0.11 0.00 0.00 0.00 178.15 178.42 1ja8 h LYS 98 N -0.83 0.00 0.00 2.37 1.57 -0.93 0.20 116.57 118.95 1ja8 h LYS 98 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ja8 h LYS 98 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1ja8 h LYS 98 CO 0.07 0.00 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.53 1ja8 h ARG 99 N 0.00 0.00 0.00 3.15 2.43 -1.25 -1.52 114.38 117.19 1ja8 h ARG 99 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ja8 h ARG 99 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1ja8 h ARG 99 CO -0.00 0.00 0.00 -0.44 -1.51 0.00 0.00 179.97 178.02 1ja8 h ASP 100 N -0.90 0.00 0.00 -3.80 3.32 0.14 -3.27 116.42 111.91 1ja8 h ASP 100 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ja8 h ASP 100 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ja8 h ASP 100 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1ja8 n PHE 101 N -3.07 0.00 0.00 4.55 3.01 0.69 -5.04 117.46 117.59 1ja8 n PHE 101 Ca -0.00 -0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1ja8 n PHE 101 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1ja8 n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ja8 n GLY 102 N -0.11 2.00 3.25 1.37 0.00 -0.57 -4.32 105.19 106.81 1ja8 n GLY 102 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1ja8 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ja8 s SER 103 N 0.00 0.16 0.11 1.61 1.04 -1.25 -4.42 113.70 110.95 1ja8 s SER 103 Ca 0.00 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.14 1ja8 s SER 103 Cb 0.00 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1ja8 s SER 103 CO 0.00 -0.82 1.64 0.15 0.98 0.00 0.00 173.24 175.19 1ja8 h PHE 104 N 2.69 -0.68 -0.89 5.02 3.57 -1.90 -1.06 116.94 123.68 1ja8 h PHE 104 Ca -0.33 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.34 1ja8 h PHE 104 Cb 1.22 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1ja8 h PHE 104 CO 0.41 -0.36 0.58 -0.44 -2.23 0.00 0.00 178.31 176.27 1ja8 h ASP 105 N -0.46 0.59 0.46 0.41 5.19 -1.97 0.48 116.42 121.11 1ja8 h ASP 105 Ca 0.03 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 1ja8 h ASP 105 Cb 0.49 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1ja8 h ASP 105 CO -0.14 0.27 -0.41 0.11 -3.12 0.00 0.00 179.24 175.95 1ja8 h LYS 106 N 0.61 0.00 -0.01 3.56 1.57 -1.60 -0.18 116.57 120.52 1ja8 h LYS 106 Ca 0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 1ja8 h LYS 106 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ja8 h LYS 106 CO -0.21 0.41 -0.01 0.35 -0.57 0.00 0.00 179.45 179.42 1ja8 h PHE 107 N 0.00 0.04 -0.75 -1.35 3.57 0.11 -1.86 116.94 116.70 1ja8 h PHE 107 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1ja8 h PHE 107 Cb 0.76 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1ja8 h PHE 107 CO 0.00 0.55 0.45 0.87 -2.23 0.00 0.00 178.31 177.95 1ja8 h LYS 108 N -0.49 0.83 0.18 1.11 1.57 -0.74 -0.31 116.57 118.72 1ja8 h LYS 108 Ca 0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1ja8 h LYS 108 Cb 0.55 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1ja8 h LYS 108 CO 0.00 0.55 -0.22 0.93 -0.57 0.00 0.00 179.45 180.14 1ja8 h GLU 109 N 0.85 -0.43 -0.91 3.15 5.08 -1.00 -0.37 114.58 120.96 1ja8 h GLU 109 Ca 0.32 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1ja8 h GLU 109 Cb 0.12 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1ja8 h GLU 109 CO -0.15 -0.29 0.51 0.87 -1.00 0.00 0.00 179.01 178.94 1ja8 h LYS 110 N -0.45 1.26 -0.26 2.33 1.57 -0.80 0.45 116.57 120.67 1ja8 h LYS 110 Ca 0.01 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.47 1ja8 h LYS 110 Cb 0.44 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1ja8 h LYS 110 CO -0.08 0.91 -0.53 1.25 -0.57 0.00 0.00 179.45 180.43 1ja8 h LEU 111 N 1.27 0.93 -0.12 2.94 5.85 -0.93 -1.95 115.31 123.31 1ja8 h LEU 111 Ca 0.32 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ja8 h LEU 111 Cb 0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1ja8 h LEU 111 CO -0.05 1.30 0.06 0.74 -0.34 0.00 0.00 178.44 180.14 1ja8 h THR 112 N 0.60 1.10 -0.30 1.05 2.02 -0.81 -0.25 112.91 116.32 1ja8 h THR 112 Ca 0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1ja8 h THR 112 Cb 1.15 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1ja8 h THR 112 CO 0.12 0.09 0.18 0.00 0.37 0.00 0.00 175.52 176.28 1ja8 h ALA 113 N 0.94 1.75 -0.08 6.16 0.00 -0.90 0.33 119.26 127.46 1ja8 h ALA 113 Ca 0.04 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1ja8 h ALA 113 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ja8 h ALA 113 CO -0.01 0.22 -0.74 0.00 0.00 0.00 0.00 179.25 178.72 1ja8 h ALA 114 N 1.79 0.56 -0.01 0.00 0.00 -0.91 -0.95 119.26 119.74 1ja8 h ALA 114 Ca 0.11 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1ja8 h ALA 114 Cb -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ja8 h ALA 114 CO -0.02 0.76 -0.58 0.77 0.00 0.00 0.00 179.25 180.18 1ja8 h SER 115 N 0.30 0.52 0.44 0.00 0.02 0.07 -3.15 113.55 111.75 1ja8 h SER 115 Ca -0.03 -0.76 -0.09 0.00 -0.84 0.00 0.00 61.79 60.07 1ja8 h SER 115 Cb 1.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1ja8 h SER 115 CO 0.13 1.21 -0.45 0.58 -1.14 0.00 0.00 176.83 177.16 1ja8 h VAL 116 N -0.11 1.32 0.00 2.27 2.07 -0.45 -2.90 116.25 118.45 1ja8 h VAL 116 Ca -0.07 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1ja8 h VAL 116 Cb 1.29 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1ja8 h VAL 116 CO 0.11 0.44 -0.06 1.23 0.02 0.00 0.00 177.57 179.31 1ja8 h GLY 117 N 1.35 0.00 -5.28 2.17 0.00 -1.17 -3.44 103.07 96.70 1ja8 h GLY 117 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1ja8 h GLY 117 CO 0.06 0.00 1.20 0.14 0.00 0.00 0.00 176.54 177.94 1ja8 s VAL 118 N -4.01 2.96 -0.30 4.60 1.01 -1.10 -4.94 120.40 118.63 1ja8 s VAL 118 Ca -0.02 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1ja8 s VAL 118 Cb 0.12 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1ja8 s VAL 118 CO 0.53 -0.00 0.61 -1.10 0.00 0.00 0.00 175.10 175.14 1ja8 s GLN 119 N 4.12 3.93 1.41 2.72 -0.21 -1.26 -4.84 119.66 125.52 1ja8 s GLN 119 Ca 0.86 0.30 0.00 0.00 0.02 0.00 0.00 55.36 56.55 1ja8 s GLN 119 Cb -0.43 -3.71 0.00 0.00 1.00 0.00 0.00 33.01 29.87 1ja8 s GLN 119 CO 0.40 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 1ja8 n GLY 120 N 4.41 -0.43 3.84 3.09 0.00 -1.26 -4.91 105.19 109.94 1ja8 n GLY 120 Ca -0.02 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1ja8 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ja8 s SER 121 N -4.00 6.82 0.00 1.61 0.01 -1.26 -4.82 113.70 112.06 1ja8 s SER 121 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1ja8 s SER 121 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1ja8 s SER 121 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1ja8 n GLY 122 N -0.20 -1.24 2.94 3.44 0.00 -1.25 0.75 105.19 109.62 1ja8 n GLY 122 Ca 0.03 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 1ja8 n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ja8 s TRP 123 N -3.00 0.12 -0.20 1.61 0.52 0.63 -1.20 118.94 117.41 1ja8 s TRP 123 Ca 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 56.10 55.83 1ja8 s TRP 123 Cb 0.00 -0.09 -0.02 0.00 -1.15 0.00 0.00 33.47 32.21 1ja8 s TRP 123 CO 0.00 -0.10 -0.00 0.20 0.02 0.00 0.00 176.95 177.07 1ja8 s GLY 124 N -0.73 1.71 0.15 0.98 0.00 -0.46 -0.90 107.32 108.08 1ja8 s GLY 124 Ca -0.08 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 43.76 1ja8 s GLY 124 CO -0.00 0.23 -0.25 -0.98 0.00 0.00 0.00 173.10 172.10 1ja8 s TRP 125 N 1.00 2.24 -0.33 1.90 0.52 0.84 -0.85 118.94 124.27 1ja8 s TRP 125 Ca 0.02 -0.38 -0.06 0.00 0.02 0.00 0.00 56.10 55.69 1ja8 s TRP 125 Cb -0.14 -1.17 0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1ja8 s TRP 125 CO 0.02 0.39 0.09 -1.17 0.02 0.00 0.00 176.95 176.30 1ja8 s LEU 126 N -2.31 4.20 0.50 2.99 2.96 0.09 -1.97 118.68 125.14 1ja8 s LEU 126 Ca 0.16 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.04 1ja8 s LEU 126 Cb -0.09 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ja8 s LEU 126 CO 0.07 -0.30 0.06 -0.83 -1.32 0.00 0.00 176.35 174.04 1ja8 s GLY 127 N 1.42 2.86 -0.08 7.98 0.00 0.72 -0.96 107.32 119.26 1ja8 s GLY 127 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1ja8 s GLY 127 CO 0.03 -2.15 -0.20 -0.12 0.00 0.00 0.00 173.10 170.66 1ja8 s PHE 128 N -2.84 2.16 -0.54 1.90 5.36 -0.08 -1.11 117.98 122.84 1ja8 s PHE 128 Ca 0.14 -0.81 -0.19 0.00 -0.96 0.00 0.00 56.93 55.10 1ja8 s PHE 128 Cb 0.02 -1.47 0.07 0.00 -0.34 0.00 0.00 43.02 41.31 1ja8 s PHE 128 CO 0.08 -0.33 0.65 1.21 -1.46 0.00 0.00 175.22 175.37 1ja8 s ASN 129 N 0.32 6.21 0.17 6.13 3.84 0.19 -1.48 114.94 130.32 1ja8 s ASN 129 Ca -0.14 -1.10 -0.12 0.00 0.21 0.00 0.00 52.86 51.71 1ja8 s ASN 129 Cb -0.16 -2.29 0.07 0.00 -0.55 0.00 0.00 41.25 38.31 1ja8 s ASN 129 CO 0.06 -0.97 1.72 0.11 -2.79 0.00 0.00 177.10 175.23 1ja8 h LYS 130 N 9.06 0.87 0.02 0.43 1.57 -1.86 1.43 116.57 128.10 1ja8 h LYS 130 Ca -0.28 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1ja8 h LYS 130 Cb 1.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1ja8 h LYS 130 CO 1.01 0.76 -0.04 0.93 -0.57 0.00 0.00 179.45 181.54 1ja8 h GLU 131 N 0.80 -0.08 0.00 3.15 5.08 -1.95 -2.82 114.58 118.76 1ja8 h GLU 131 Ca 0.19 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1ja8 h GLU 131 Cb 0.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ja8 h GLU 131 CO -0.01 -0.06 -0.21 0.00 -1.00 0.00 0.00 179.01 177.73 1ja8 h ARG 132 N -0.09 0.00 -5.14 2.33 2.47 -1.96 -3.48 114.38 108.51 1ja8 h ARG 132 Ca 0.01 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.41 1ja8 h ARG 132 Cb 0.10 0.00 0.13 0.00 -1.65 0.00 0.00 29.97 28.55 1ja8 h ARG 132 CO -0.03 0.00 -0.62 0.41 0.56 0.00 0.00 179.97 180.29 1ja8 n GLY 133 N 1.28 -0.29 3.61 0.04 0.00 0.48 -5.02 105.19 105.29 1ja8 n GLY 133 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1ja8 n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ja8 s HIS 134 N -3.29 0.20 0.74 1.61 -3.43 -0.89 -4.97 115.29 105.26 1ja8 s HIS 134 Ca 0.27 -0.57 -0.11 0.00 -0.80 0.00 0.00 55.06 53.85 1ja8 s HIS 134 Cb -0.12 0.30 0.04 0.00 -1.43 0.00 0.00 32.58 31.36 1ja8 s HIS 134 CO 0.63 -1.01 1.08 -0.51 -2.00 0.00 0.00 174.74 172.92 1ja8 s LEU 135 N -2.98 2.90 -0.28 5.38 1.43 -1.26 0.54 118.68 124.41 1ja8 s LEU 135 Ca 0.18 1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 54.60 1ja8 s LEU 135 Cb -0.01 -4.28 0.12 0.00 0.03 0.00 0.00 46.19 42.05 1ja8 s LEU 135 CO 0.06 -1.72 0.90 -1.58 0.23 0.00 0.00 176.35 174.25 1ja8 s GLN 136 N -5.07 0.54 0.08 1.70 0.74 -0.27 -4.73 119.66 112.66 1ja8 s GLN 136 Ca 0.59 0.80 -0.07 0.00 0.05 0.00 0.00 55.36 56.73 1ja8 s GLN 136 Cb -0.15 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.09 1ja8 s GLN 136 CO 0.55 -0.09 0.35 0.42 -0.55 0.00 0.00 175.29 175.97 1ja8 s ILE 137 N 0.94 5.18 0.14 -2.34 1.01 -1.26 -0.20 121.20 124.67 1ja8 s ILE 137 Ca -0.04 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.66 1ja8 s ILE 137 Cb -0.04 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.85 1ja8 s ILE 137 CO -0.11 0.23 0.45 0.00 0.00 0.00 0.00 174.94 175.50 1ja8 s ALA 138 N -1.46 -1.04 -0.02 9.38 0.00 -0.83 -4.96 121.76 122.84 1ja8 s ALA 138 Ca 0.34 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1ja8 s ALA 138 Cb -0.13 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1ja8 s ALA 138 CO 0.20 -0.68 -0.18 0.00 0.00 0.00 0.00 175.76 175.09 1ja8 s ALA 139 N -3.80 1.55 -0.04 0.00 0.00 -1.26 -0.11 121.76 118.10 1ja8 s ALA 139 Ca 0.03 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1ja8 s ALA 139 Cb 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1ja8 s ALA 139 CO -0.11 0.36 -0.22 0.00 0.00 0.00 0.00 175.76 175.79 1ja8 s PRO 141 N -0.20 4.46 4.66 0.00 0.04 -1.26 -0.27 135.00 142.43 1ja8 s PRO 141 Ca -0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1ja8 s PRO 141 Cb -0.12 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1ja8 s PRO 141 CO 0.02 0.15 0.00 0.09 0.04 0.00 0.00 177.00 177.30 1ja8 n ASN 142 N 0.38 0.00 -0.65 6.66 3.02 0.23 -1.60 115.26 123.29 1ja8 n ASN 142 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 1ja8 n ASN 142 Cb 0.50 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.82 1ja8 n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ja8 n GLN 143 N 14.00 2.87 -1.67 3.52 1.13 -1.26 -3.90 117.38 132.08 1ja8 n GLN 143 Ca 0.00 -2.07 -0.51 0.00 -1.94 0.00 0.00 57.00 52.48 1ja8 n GLN 143 Cb 0.00 -1.28 -0.05 0.00 0.11 0.00 0.00 30.24 29.02 1ja8 n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ja8 n ASP 144 N 0.52 2.71 -4.79 1.08 10.43 -0.63 -3.90 116.55 121.97 1ja8 n ASP 144 Ca 0.12 1.06 -0.35 0.00 2.57 0.00 0.00 54.79 58.18 1ja8 n ASP 144 Cb 0.43 -1.29 -0.05 0.00 1.84 0.00 0.00 41.12 42.05 1ja8 n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1ja8 s PRO 145 N 2.45 4.24 0.07 -0.24 0.04 -1.26 -4.69 135.00 135.62 1ja8 s PRO 145 Ca 0.89 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 1ja8 s PRO 145 Cb -0.84 -2.44 -0.14 0.00 0.04 0.00 0.00 34.50 31.11 1ja8 s PRO 145 CO 0.51 -0.04 1.46 1.25 0.04 0.00 0.00 177.00 180.22 1ja8 h LEU 146 N 2.37 -1.16 -0.11 -3.56 5.85 -1.90 -2.57 115.31 114.23 1ja8 h LEU 146 Ca -0.48 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1ja8 h LEU 146 Cb 1.20 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1ja8 h LEU 146 CO 0.62 -0.55 0.06 -0.61 -0.34 0.00 0.00 178.44 177.62 1ja8 h GLN 147 N -0.82 0.16 -0.27 1.25 4.15 -1.86 0.62 115.11 118.33 1ja8 h GLN 147 Ca -0.05 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.42 1ja8 h GLN 147 Cb 0.72 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1ja8 h GLN 147 CO -0.06 0.23 0.24 0.78 -1.93 0.00 0.00 178.83 178.08 1ja8 h GLY 148 N 0.06 0.00 0.00 2.39 0.00 -1.87 0.84 103.07 104.49 1ja8 h GLY 148 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1ja8 h GLY 148 CO -0.01 0.00 -1.10 -1.30 0.00 0.00 0.00 176.54 174.13 1ja8 n THR 149 N -4.09 0.00 0.00 4.70 -2.24 -0.97 -4.76 114.28 106.92 1ja8 n THR 149 Ca 0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1ja8 n THR 149 Cb 0.39 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1ja8 n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ja8 n THR 150 N -1.61 0.00 0.00 4.28 -2.24 0.21 -5.00 114.28 109.92 1ja8 n THR 150 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ja8 n THR 150 Cb 0.15 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ja8 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja8 n GLY 151 N 2.38 2.28 3.79 3.38 0.00 0.28 -4.98 105.19 112.33 1ja8 n GLY 151 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ja8 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ja8 s LEU 152 N 0.00 3.72 -0.21 0.99 1.43 -1.26 -4.78 118.68 118.56 1ja8 s LEU 152 Ca 0.00 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.88 1ja8 s LEU 152 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1ja8 s LEU 152 CO 0.00 -0.99 0.43 -0.63 0.23 0.00 0.00 176.35 175.39 1ja8 s ILE 153 N -2.09 5.17 0.21 -0.59 -1.09 -0.55 -2.82 121.20 119.43 1ja8 s ILE 153 Ca 0.67 0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 59.54 1ja8 s ILE 153 Cb -0.18 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 1ja8 s ILE 153 CO 0.27 0.21 1.41 -2.16 -1.23 0.00 0.00 174.94 173.44 1ja8 s PRO 154 N 1.53 4.30 -0.02 2.79 0.04 -1.26 -0.90 135.00 141.48 1ja8 s PRO 154 Ca 0.20 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 1ja8 s PRO 154 Cb -0.15 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1ja8 s PRO 154 CO 0.09 -0.40 -0.03 1.28 0.04 0.00 0.00 177.00 177.98 1ja8 n LEU 155 N 2.85 0.16 -3.77 -3.56 4.77 -0.14 -4.92 117.00 112.39 1ja8 n LEU 155 Ca 0.08 0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.91 1ja8 n LEU 155 Cb 0.41 -0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1ja8 n LEU 155 CO 0.60 0.05 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.12 1ja8 s LEU 156 N -6.11 0.85 0.07 2.23 2.96 -0.98 -4.55 118.68 113.15 1ja8 s LEU 156 Ca -0.03 0.01 0.10 0.00 -0.22 0.00 0.00 54.13 53.99 1ja8 s LEU 156 Cb 0.01 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 1ja8 s LEU 156 CO 0.04 -0.15 -0.27 -0.83 -1.32 0.00 0.00 176.35 173.82 1ja8 s GLY 157 N 1.39 1.46 -0.24 7.98 0.00 -1.26 -0.73 107.32 115.92 1ja8 s GLY 157 Ca -0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.33 1ja8 s GLY 157 CO -0.03 -1.25 0.03 -0.42 0.00 0.00 0.00 173.10 171.43 1ja8 s ILE 158 N -0.89 0.97 -0.06 0.90 1.01 -0.03 -4.89 121.20 118.21 1ja8 s ILE 158 Ca 0.12 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1ja8 s ILE 158 Cb -0.10 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1ja8 s ILE 158 CO 0.03 -0.31 1.39 -0.62 0.00 0.00 0.00 174.94 175.43 1ja8 s ASP 159 N 1.63 6.87 -0.07 3.58 2.15 -1.26 -1.36 116.67 128.20 1ja8 s ASP 159 Ca 0.01 1.98 0.12 0.00 0.43 0.00 0.00 52.55 55.09 1ja8 s ASP 159 Cb -0.18 -2.55 0.33 0.00 -0.30 0.00 0.00 42.92 40.23 1ja8 s ASP 159 CO -0.12 -0.75 1.26 1.33 -0.17 0.00 0.00 175.17 176.72 1ja8 n VAL 160 N 5.01 1.52 -1.94 1.11 0.24 -0.35 -4.85 118.33 119.06 1ja8 n VAL 160 Ca 0.14 -1.42 -0.38 0.00 -2.04 0.00 0.00 64.34 60.64 1ja8 n VAL 160 Cb 0.44 0.18 0.02 0.00 -1.47 0.00 0.00 33.84 33.01 1ja8 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ja8 s ALA 161 N -1.79 2.90 0.51 2.33 0.00 -1.23 -4.53 121.76 119.95 1ja8 s ALA 161 Ca 0.27 1.21 0.15 0.00 0.00 0.00 0.00 51.96 53.60 1ja8 s ALA 161 Cb 0.19 -3.51 1.23 0.00 0.00 0.00 0.00 23.12 21.03 1ja8 s ALA 161 CO 0.10 -1.13 2.13 0.93 0.00 0.00 0.00 175.76 177.80 1ja8 h GLU 162 N 1.72 0.03 0.00 0.00 5.08 -1.93 0.09 114.58 119.56 1ja8 h GLU 162 Ca -0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1ja8 h GLU 162 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ja8 h GLU 162 CO 0.58 0.03 0.00 -2.39 -1.00 0.00 0.00 179.01 176.24 1ja8 n HIS 163 N -4.52 0.39 0.78 4.33 1.44 -1.26 0.77 115.22 117.15 1ja8 n HIS 163 Ca -0.03 0.18 0.13 0.00 -2.01 0.00 0.00 57.72 55.99 1ja8 n HIS 163 Cb 0.10 -0.79 0.36 0.00 0.12 0.00 0.00 29.99 29.78 1ja8 n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ja8 n ALA 164 N -1.64 2.73 -0.02 1.59 0.00 0.02 -4.60 120.51 118.59 1ja8 n ALA 164 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ja8 n ALA 164 Cb 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1ja8 n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ja8 n TYR 165 N -1.88 0.00 -0.24 0.00 4.11 -0.50 -5.00 117.16 113.66 1ja8 n TYR 165 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.99 1ja8 n TYR 165 Cb 0.39 0.00 0.16 0.00 -0.00 0.00 0.00 39.34 39.89 1ja8 n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1ja8 h TYR 166 N 0.00 0.36 -0.53 -3.48 3.20 0.16 0.15 116.97 116.82 1ja8 h TYR 166 Ca 0.00 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.01 1ja8 h TYR 166 Cb 0.00 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1ja8 h TYR 166 CO 0.00 -0.00 0.36 -0.07 -1.64 0.00 0.00 178.16 176.81 1ja8 h LEU 167 N 0.34 0.24 0.00 2.82 3.38 -1.89 0.21 115.31 120.41 1ja8 h LEU 167 Ca 0.38 0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.98 1ja8 h LEU 167 Cb 0.60 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1ja8 h LEU 167 CO -0.43 0.15 -2.15 1.67 0.09 0.00 0.00 178.44 177.77 1ja8 n GLN 168 N -4.45 0.58 0.00 1.13 7.27 -0.74 -4.67 117.38 116.49 1ja8 n GLN 168 Ca 0.09 0.33 0.12 0.00 0.07 0.00 0.00 57.00 57.60 1ja8 n GLN 168 Cb 0.41 -1.54 0.08 0.00 2.41 0.00 0.00 30.24 31.60 1ja8 n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ja8 n TYR 169 N -4.31 0.00 -3.40 3.69 4.02 0.43 -5.06 117.16 112.54 1ja8 n TYR 169 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1ja8 n TYR 169 Cb 0.81 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 1ja8 n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ja8 n LYS 170 N 0.01 0.00 0.13 -0.72 4.76 0.72 -2.08 118.16 120.97 1ja8 n LYS 170 Ca 0.10 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.67 1ja8 n LYS 170 Cb 0.46 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 34.09 1ja8 n LYS 170 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1ja8 h ASN 171 N 6.79 0.00 -0.02 4.39 -1.07 -1.94 -3.39 115.58 120.33 1ja8 h ASN 171 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.69 1ja8 h ASN 171 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1ja8 h ASN 171 CO 0.00 0.00 2.76 0.52 0.07 0.00 0.00 177.43 180.78 1ja8 n VAL 172 N -2.33 2.80 -0.05 6.14 0.31 -0.89 -4.73 118.33 119.58 1ja8 n VAL 172 Ca 0.04 -2.46 0.16 0.00 -0.01 0.00 0.00 64.34 62.07 1ja8 n VAL 172 Cb 0.34 -2.48 0.60 0.00 -0.91 0.00 0.00 33.84 31.38 1ja8 n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ja8 h ARG 173 N 6.83 0.20 -0.75 5.55 2.43 -1.83 -2.36 114.38 124.45 1ja8 h ARG 173 Ca 0.50 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.67 1ja8 h ARG 173 Cb 0.66 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1ja8 h ARG 173 CO 1.90 0.13 0.49 -1.35 -1.51 0.00 0.00 179.97 179.64 1ja8 h PRO 174 N 0.20 0.98 -0.70 0.20 0.11 -1.97 -1.82 132.00 129.00 1ja8 h PRO 174 Ca 0.27 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1ja8 h PRO 174 Cb 0.80 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 1ja8 h PRO 174 CO -0.05 0.65 0.43 -0.44 -0.21 0.00 0.00 178.00 178.39 1ja8 h ASP 175 N 1.01 0.83 0.35 -2.05 5.19 -1.82 -0.88 116.42 119.05 1ja8 h ASP 175 Ca 0.27 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1ja8 h ASP 175 Cb -0.12 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.19 1ja8 h ASP 175 CO -0.06 0.63 -0.17 0.22 -3.12 0.00 0.00 179.24 176.74 1ja8 h TYR 176 N 0.97 -0.43 -0.91 4.55 -0.00 -1.40 -1.29 116.97 118.45 1ja8 h TYR 176 Ca 0.25 -0.01 0.06 0.00 -0.00 0.00 0.00 58.73 59.04 1ja8 h TYR 176 Cb -0.06 0.14 -0.06 0.00 -0.00 0.00 0.00 36.73 36.75 1ja8 h TYR 176 CO 0.00 -0.21 0.58 -0.07 -0.00 0.00 0.00 178.16 178.46 1ja8 h LEU 177 N -0.57 0.91 -0.22 2.82 -0.00 -1.05 -0.91 115.31 116.30 1ja8 h LEU 177 Ca -0.05 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1ja8 h LEU 177 Cb 0.42 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 1ja8 h LEU 177 CO 0.08 0.59 0.01 0.50 -0.00 0.00 0.00 178.44 179.61 1ja8 h LYS 178 N 1.05 0.08 -0.31 1.13 1.63 -0.97 -2.97 116.57 116.21 1ja8 h LYS 178 Ca 0.39 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.08 1ja8 h LYS 178 Cb 0.16 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1ja8 h LYS 178 CO -0.17 0.05 -0.27 0.00 -3.45 0.00 0.00 179.45 175.62 1ja8 h ALA 179 N 1.18 0.96 0.00 5.00 0.00 -0.64 -3.25 119.26 122.51 1ja8 h ALA 179 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ja8 h ALA 179 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ja8 h ALA 179 CO -0.17 0.61 -0.09 0.97 0.00 0.00 0.00 179.25 180.57 1ja8 h ILE 180 N 0.54 0.78 0.00 0.00 2.10 -1.02 -1.94 117.51 117.97 1ja8 h ILE 180 Ca 0.07 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.67 1ja8 h ILE 180 Cb 0.74 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 37.67 1ja8 h ILE 180 CO 0.06 0.09 -0.00 -0.50 -1.08 0.00 0.00 178.15 176.71 1ja8 h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.59 -0.94 115.95 119.67 1ja8 h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ja8 h TRP 181 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1ja8 h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1ja8 n ASN 182 N -3.45 0.32 -0.24 -3.49 4.13 -0.73 -3.38 115.26 108.43 1ja8 n ASN 182 Ca -0.03 0.56 0.07 0.00 1.68 0.00 0.00 54.58 56.86 1ja8 n ASN 182 Cb 0.08 -0.64 0.10 0.00 -1.54 0.00 0.00 39.78 37.79 1ja8 n ASN 182 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1ja8 n VAL 183 N -1.83 1.30 -2.28 2.41 0.24 -0.36 -2.80 118.33 115.01 1ja8 n VAL 183 Ca 0.04 -1.60 -0.42 0.00 -2.04 0.00 0.00 64.34 60.33 1ja8 n VAL 183 Cb 0.26 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 1ja8 n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ja8 s ILE 184 N -1.98 3.50 -1.21 1.34 -1.09 -1.19 0.15 121.20 120.71 1ja8 s ILE 184 Ca 0.23 1.16 -0.12 0.00 -2.23 0.00 0.00 60.65 59.69 1ja8 s ILE 184 Cb 0.20 -3.74 0.19 0.00 -1.58 0.00 0.00 42.46 37.53 1ja8 s ILE 184 CO 0.01 0.13 1.52 -3.20 -1.23 0.00 0.00 174.94 172.18 1ja8 n ASN 185 N 3.28 5.28 0.20 3.58 2.85 0.18 -1.78 115.26 128.85 1ja8 n ASN 185 Ca 0.08 -3.04 0.18 0.00 -0.11 0.00 0.00 54.58 51.69 1ja8 n ASN 185 Cb 0.44 -1.51 0.81 0.00 1.24 0.00 0.00 39.78 40.75 1ja8 n ASN 185 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 1ja8 h TRP 186 N 6.63 0.00 -0.22 1.20 4.06 -1.87 0.69 115.95 126.44 1ja8 h TRP 186 Ca 0.32 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.26 1ja8 h TRP 186 Cb 0.79 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 1ja8 h TRP 186 CO 1.10 0.00 0.10 0.93 -3.56 0.00 0.00 178.44 177.01 1ja8 h GLU 187 N 0.00 0.33 -0.31 0.49 5.08 -1.96 0.26 114.58 118.47 1ja8 h GLU 187 Ca 0.11 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1ja8 h GLU 187 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1ja8 h GLU 187 CO -0.00 0.35 -0.28 -0.97 -1.00 0.00 0.00 179.01 177.11 1ja8 h ASN 188 N 0.23 0.64 -0.24 1.42 -0.73 -1.16 -0.58 115.58 115.16 1ja8 h ASN 188 Ca 0.08 -0.24 -0.05 0.00 1.87 0.00 0.00 56.30 57.95 1ja8 h ASN 188 Cb 0.13 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 1ja8 h ASN 188 CO -0.01 0.89 -0.06 0.58 -0.37 0.00 0.00 177.43 178.46 1ja8 h VAL 189 N 0.54 1.29 -0.43 2.57 2.07 -1.16 -1.08 116.25 120.04 1ja8 h VAL 189 Ca 0.07 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1ja8 h VAL 189 Cb 0.76 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1ja8 h VAL 189 CO 0.06 0.33 0.11 0.74 0.02 0.00 0.00 177.57 178.84 1ja8 h THR 190 N 0.20 0.81 -0.09 2.57 2.02 -0.35 0.15 112.91 118.22 1ja8 h THR 190 Ca 0.06 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1ja8 h THR 190 Cb 0.53 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1ja8 h THR 190 CO 0.02 0.05 -0.20 -0.08 0.37 0.00 0.00 175.52 175.69 1ja8 h GLU 191 N 0.26 -0.26 -0.45 6.66 4.81 -0.88 -1.10 114.58 123.62 1ja8 h GLU 191 Ca 0.21 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ja8 h GLU 191 Cb 0.24 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ja8 h GLU 191 CO -0.25 -0.17 0.26 0.00 -0.73 0.00 0.00 179.01 178.12 1ja8 h ARG 192 N -0.27 0.60 0.77 1.92 3.08 -0.53 -1.67 114.38 118.28 1ja8 h ARG 192 Ca 0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1ja8 h ARG 192 Cb 0.39 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.32 1ja8 h ARG 192 CO -0.25 0.43 -0.37 -0.92 -1.07 0.00 0.00 179.97 177.79 1ja8 h TYR 193 N 0.61 -0.96 -0.24 3.04 5.03 -0.18 -2.95 116.97 121.31 1ja8 h TYR 193 Ca 0.16 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.52 1ja8 h TYR 193 Cb -0.01 0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1ja8 h TYR 193 CO 0.00 -0.60 0.31 0.52 -1.32 0.00 0.00 178.16 177.07 1ja8 h MET 194 N -1.21 0.00 -0.05 1.82 2.86 -1.09 -1.46 114.93 115.80 1ja8 h MET 194 Ca -0.11 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 1ja8 h MET 194 Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1ja8 h MET 194 CO 0.17 0.00 -0.45 0.00 1.06 0.00 0.00 176.91 177.69 1ja8 h ALA 195 N 1.61 1.16 -0.12 6.32 0.00 -1.13 -3.06 119.26 124.05 1ja8 h ALA 195 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ja8 h ALA 195 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ja8 h ALA 195 CO -0.00 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1ja8 n LYS 197 N 1.07 3.81 0.00 0.00 4.81 -1.01 -4.99 118.16 121.85 1ja8 n LYS 197 Ca 0.12 -2.80 0.16 0.00 -0.87 0.00 0.00 58.31 54.92 1ja8 n LYS 197 Cb 0.48 -1.94 0.92 0.00 0.02 0.00 0.00 35.03 34.52 1ja8 n LYS 197 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93