#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb8 s ASN -7 N 0.00 5.60 -0.05 4.31 0.01 -1.26 -5.10 114.94 118.45 3kb8 s ASN -7 Ca 0.00 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.24 3kb8 s ASN -7 Cb 0.00 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.68 3kb8 s ASN -7 CO 0.00 0.13 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.73 3kb8 s LEU -6 N 0.66 2.03 -0.12 0.60 1.43 -1.26 -5.14 118.68 116.88 3kb8 s LEU -6 Ca 0.04 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3kb8 s LEU -6 Cb -0.13 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.83 3kb8 s LEU -6 CO 0.02 0.22 -0.21 -0.47 0.23 0.00 0.00 176.35 176.13 3kb8 s TYR -5 N -0.11 2.64 -0.28 0.29 5.04 -1.26 -5.11 117.35 118.57 3kb8 s TYR -5 Ca -0.04 -1.06 0.01 0.00 -2.44 0.00 0.00 57.07 53.54 3kb8 s TYR -5 Cb -0.13 -1.77 0.08 0.00 0.35 0.00 0.00 41.96 40.49 3kb8 s TYR -5 CO 0.03 -0.44 0.01 -0.06 -1.34 0.00 0.00 175.55 173.76 3kb8 s PHE -4 N 0.48 2.45 -0.04 4.97 0.08 -1.26 -4.92 117.98 119.74 3kb8 s PHE -4 Ca -0.14 -1.99 0.08 0.00 0.12 0.00 0.00 56.93 55.00 3kb8 s PHE -4 Cb -0.17 -1.89 -0.11 0.00 -0.57 0.00 0.00 43.02 40.28 3kb8 s PHE -4 CO 0.05 -0.83 0.11 0.94 -0.10 0.00 0.00 175.22 175.39 3kb8 n GLN -3 N 4.64 1.48 0.00 0.44 7.27 -1.26 -5.04 117.38 124.91 3kb8 n GLN -3 Ca -0.06 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 56.97 3kb8 n GLN -3 Cb 0.43 -1.20 0.00 0.00 2.41 0.00 0.00 30.24 31.88 3kb8 n GLN -3 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3kb8 n SER -2 N -2.03 0.00 -1.69 1.69 2.88 -1.26 0.11 113.62 113.31 3kb8 n SER -2 Ca -0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 3kb8 n SER -2 Cb 0.48 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.13 3kb8 n SER -2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kb8 n ASN -1 N -1.01 3.84 -4.74 -3.46 3.02 -1.26 -4.98 115.26 106.68 3kb8 n ASN -1 Ca 0.00 -2.92 -0.42 0.00 -0.03 0.00 0.00 54.58 51.21 3kb8 n ASN -1 Cb 0.00 -0.69 -0.01 0.00 -0.61 0.00 0.00 39.78 38.47 3kb8 n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kb8 n ALA 0 N -0.20 1.90 -2.52 5.41 0.00 0.29 -5.03 120.51 120.36 3kb8 n ALA 0 Ca 0.32 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.89 3kb8 n ALA 0 Cb 1.15 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 3kb8 n ALA 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kb8 s MET 1 N -1.82 1.15 0.37 0.00 -1.94 -1.26 -5.05 119.30 110.75 3kb8 s MET 1 Ca 0.55 -1.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 3kb8 s MET 1 Cb -0.52 -1.31 0.72 0.00 2.01 0.00 0.00 34.83 35.72 3kb8 s MET 1 CO 0.62 0.29 1.96 0.52 -0.01 0.00 0.00 175.02 178.40 3kb8 h MET 2 N 3.80 0.55 -0.03 2.03 2.86 -2.01 -2.42 114.93 119.71 3kb8 h MET 2 Ca -0.44 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.13 3kb8 h MET 2 Cb 1.19 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 3kb8 h MET 2 CO 0.44 0.47 0.02 -2.95 1.06 0.00 0.00 176.91 175.94 3kb8 h ASN 3 N 0.55 0.00 0.67 1.22 -1.07 -1.96 -0.12 115.58 114.87 3kb8 h ASN 3 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.50 3kb8 h ASN 3 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 3kb8 h ASN 3 CO -0.01 0.00 0.00 1.56 0.07 0.00 0.00 177.43 179.05 3kb8 h GLN 4 N 0.00 0.00 0.00 4.14 4.20 -1.86 -2.09 115.11 119.50 3kb8 h GLN 4 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kb8 h GLN 4 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3kb8 h GLN 4 CO -0.00 0.00 -0.76 -0.25 -0.67 0.00 0.00 178.83 177.15 3kb8 n ASP 5 N -2.53 0.70 -4.64 1.46 8.00 -0.06 -4.88 116.55 114.60 3kb8 n ASP 5 Ca 0.01 -0.53 -0.39 0.00 0.71 0.00 0.00 54.79 54.59 3kb8 n ASP 5 Cb 0.22 0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 41.85 3kb8 n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kb8 s ILE 6 N -3.03 5.14 -0.00 0.53 -1.09 -0.79 -0.55 121.20 121.42 3kb8 s ILE 6 Ca 0.09 0.78 -0.24 0.00 -2.23 0.00 0.00 60.65 59.05 3kb8 s ILE 6 Cb 0.17 -3.77 -0.19 0.00 -1.58 0.00 0.00 42.46 37.09 3kb8 s ILE 6 CO 0.78 0.17 1.25 -0.08 -1.23 0.00 0.00 174.94 175.83 3kb8 h GLU 7 N 7.71 0.17 -2.74 2.79 4.57 -0.96 -3.45 114.58 122.67 3kb8 h GLU 7 Ca -0.33 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.65 3kb8 h GLU 7 Cb 1.15 0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 29.55 3kb8 h GLU 7 CO 0.71 0.66 -0.15 -1.59 -1.18 0.00 0.00 179.01 177.46 3kb8 s LYS 8 N -4.06 0.75 -0.43 1.92 -2.85 -1.18 -5.02 119.74 108.88 3kb8 s LYS 8 Ca -0.15 -0.00 -0.27 0.00 -1.00 0.00 0.00 55.97 54.55 3kb8 s LYS 8 Cb 0.03 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 3kb8 s LYS 8 CO 0.72 -0.21 1.01 0.08 0.10 0.00 0.00 175.35 177.04 3kb8 s VAL 9 N -1.14 4.42 -0.07 1.79 1.01 -1.26 -1.26 120.40 123.88 3kb8 s VAL 9 Ca -0.12 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.70 3kb8 s VAL 9 Cb -0.04 -4.46 -0.25 0.00 0.00 0.00 0.00 36.38 31.63 3kb8 s VAL 9 CO 0.05 -0.79 0.97 0.25 0.00 0.00 0.00 175.10 175.59 3kb8 h LEU 10 N 10.62 0.19 -7.46 3.92 5.85 -1.02 -3.43 115.31 123.97 3kb8 h LEU 10 Ca -0.23 -0.82 -0.54 0.00 0.84 0.00 0.00 57.88 57.13 3kb8 h LEU 10 Cb 1.07 -0.06 -0.39 0.00 0.37 0.00 0.00 40.66 41.65 3kb8 h LEU 10 CO 1.05 1.00 -0.78 -0.63 -0.34 0.00 0.00 178.44 178.74 3kb8 s ILE 11 N -2.93 0.86 0.80 4.05 1.01 -0.69 -5.02 121.20 119.28 3kb8 s ILE 11 Ca -0.16 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 3kb8 s ILE 11 Cb 0.00 -1.19 0.07 0.00 0.01 0.00 0.00 42.46 41.35 3kb8 s ILE 11 CO 0.74 -0.04 1.10 -0.94 0.00 0.00 0.00 174.94 175.80 3kb8 s SER 12 N 1.72 4.50 0.19 3.58 1.04 -1.26 -1.43 113.70 122.04 3kb8 s SER 12 Ca -0.01 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.59 3kb8 s SER 12 Cb -0.16 -2.01 0.19 0.00 0.10 0.00 0.00 66.02 64.14 3kb8 s SER 12 CO -0.07 -1.96 1.78 -0.08 0.98 0.00 0.00 173.24 173.88 3kb8 h GLU 13 N -1.08 0.50 -0.53 4.02 4.81 -1.95 -0.11 114.58 120.22 3kb8 h GLU 13 Ca -0.47 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3kb8 h GLU 13 Cb 1.27 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 3kb8 h GLU 13 CO 0.60 0.33 0.27 1.49 -0.73 0.00 0.00 179.01 180.97 3kb8 h GLU 14 N 0.51 0.51 -0.35 1.92 4.81 -1.92 0.32 114.58 120.39 3kb8 h GLU 14 Ca 0.26 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3kb8 h GLU 14 Cb 0.21 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3kb8 h GLU 14 CO -0.20 0.34 0.21 1.96 -0.73 0.00 0.00 179.01 180.59 3kb8 h GLN 15 N 0.53 0.47 -0.37 1.92 4.20 -1.78 -2.04 115.11 118.04 3kb8 h GLN 15 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3kb8 h GLN 15 Cb 0.14 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3kb8 h GLN 15 CO -0.16 0.35 0.23 0.82 -0.67 0.00 0.00 178.83 179.40 3kb8 h ILE 16 N 0.45 1.11 0.00 2.54 2.04 -0.54 -2.32 117.51 120.79 3kb8 h ILE 16 Ca 0.12 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3kb8 h ILE 16 Cb 0.00 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3kb8 h ILE 16 CO -0.02 0.11 -0.27 1.56 0.00 0.00 0.00 178.15 179.52 3kb8 h GLN 17 N 0.49 0.00 -0.16 2.37 1.08 -0.75 -0.13 115.11 118.01 3kb8 h GLN 17 Ca 0.13 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.14 3kb8 h GLN 17 Cb -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3kb8 h GLN 17 CO -0.03 0.27 -0.64 1.49 -0.95 0.00 0.00 178.83 178.97 3kb8 h GLU 18 N 0.00 0.73 -0.28 1.46 4.22 -1.16 -1.81 114.58 117.73 3kb8 h GLU 18 Ca -0.00 -0.56 -0.17 0.00 0.08 0.00 0.00 59.36 58.70 3kb8 h GLU 18 Cb 0.48 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kb8 h GLU 18 CO 0.03 1.18 -0.51 -0.22 -2.18 0.00 0.00 179.01 177.32 3kb8 h LYS 19 N 0.43 0.80 -0.64 1.92 1.63 -1.09 -2.27 116.57 117.35 3kb8 h LYS 19 Ca -0.03 -0.48 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 3kb8 h LYS 19 Cb 1.27 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.92 3kb8 h LYS 19 CO 0.13 1.11 0.31 0.28 -3.45 0.00 0.00 179.45 177.84 3kb8 h VAL 20 N 0.62 1.21 -0.27 2.00 2.07 -1.03 -0.06 116.25 120.80 3kb8 h VAL 20 Ca 0.02 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3kb8 h VAL 20 Cb 1.09 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kb8 h VAL 20 CO 0.11 0.24 -0.06 0.25 0.02 0.00 0.00 177.57 178.13 3kb8 h LEU 21 N 0.90 0.52 -0.43 2.57 6.46 -1.15 -0.60 115.31 123.58 3kb8 h LEU 21 Ca 0.22 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 3kb8 h LEU 21 Cb 0.09 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 3kb8 h LEU 21 CO -0.03 0.76 0.23 -0.08 -0.62 0.00 0.00 178.44 178.70 3kb8 h GLU 22 N 0.27 0.45 -0.51 1.25 4.81 -1.10 -2.28 114.58 117.47 3kb8 h GLU 22 Ca 0.07 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kb8 h GLU 22 Cb 0.53 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3kb8 h GLU 22 CO 0.03 0.30 0.15 -0.07 -0.73 0.00 0.00 179.01 178.68 3kb8 h LEU 23 N 0.46 0.76 -0.75 1.64 3.38 -0.92 -2.01 115.31 117.88 3kb8 h LEU 23 Ca 0.18 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kb8 h LEU 23 Cb 0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3kb8 h LEU 23 CO -0.11 0.77 0.43 1.23 0.09 0.00 0.00 178.44 180.86 3kb8 h GLY 24 N 0.70 1.11 0.98 0.83 0.00 -0.97 -0.40 103.07 105.32 3kb8 h GLY 24 Ca 0.16 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 3kb8 h GLY 24 CO -0.00 0.19 0.01 0.00 0.00 0.00 0.00 176.54 176.73 3kb8 h ALA 25 N 1.38 0.60 -0.24 3.60 0.00 -1.19 -1.00 119.26 122.41 3kb8 h ALA 25 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kb8 h ALA 25 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kb8 h ALA 25 CO -0.19 0.39 0.11 0.82 0.00 0.00 0.00 179.25 180.38 3kb8 h ILE 26 N 0.63 1.15 -0.63 0.00 2.04 -1.06 -2.50 117.51 117.15 3kb8 h ILE 26 Ca 0.13 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3kb8 h ILE 26 Cb 0.48 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3kb8 h ILE 26 CO 0.02 0.15 0.37 0.40 0.00 0.00 0.00 178.15 179.09 3kb8 h ILE 27 N 0.25 1.19 -0.76 -0.67 2.04 -1.07 0.58 117.51 119.07 3kb8 h ILE 27 Ca 0.08 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.57 3kb8 h ILE 27 Cb 0.13 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3kb8 h ILE 27 CO -0.01 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.79 3kb8 h ALA 28 N 1.19 1.04 -0.10 1.87 0.00 -1.12 0.19 119.26 122.32 3kb8 h ALA 28 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3kb8 h ALA 28 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kb8 h ALA 28 CO -0.04 0.18 -0.08 1.49 0.00 0.00 0.00 179.25 180.80 3kb8 h GLU 29 N 0.84 0.22 -0.26 0.00 4.57 -0.95 -2.46 114.58 116.54 3kb8 h GLU 29 Ca 0.33 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 3kb8 h GLU 29 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3kb8 h GLU 29 CO -0.17 0.62 0.18 -0.44 -1.18 0.00 0.00 179.01 178.02 3kb8 h ASP 30 N -0.17 0.21 -0.50 1.04 3.32 -0.44 -2.96 116.42 116.91 3kb8 h ASP 30 Ca 0.02 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 3kb8 h ASP 30 Cb 0.57 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 3kb8 h ASP 30 CO 0.02 0.15 0.09 -1.22 -1.72 0.00 0.00 179.24 176.56 3kb8 n TYR 31 N -4.49 1.73 -0.26 4.55 4.01 0.63 -4.70 117.16 118.62 3kb8 n TYR 31 Ca 0.02 -1.06 0.08 0.00 -0.16 0.00 0.00 57.90 56.78 3kb8 n TYR 31 Cb 0.16 -0.51 0.21 0.00 -0.31 0.00 0.00 39.34 38.89 3kb8 n TYR 31 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kb8 h LYS 32 N 2.42 0.24 -0.72 -0.72 1.57 -1.27 -2.69 116.57 115.40 3kb8 h LYS 32 Ca 0.12 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3kb8 h LYS 32 Cb 1.90 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.15 3kb8 h LYS 32 CO 0.48 0.16 0.01 0.27 -0.57 0.00 0.00 179.45 179.80 3kb8 n ASN 33 N -5.19 4.23 -3.45 0.86 6.94 -1.26 -4.96 115.26 112.43 3kb8 n ASN 33 Ca 0.16 -2.64 -0.11 0.00 -0.02 0.00 0.00 54.58 51.96 3kb8 n ASN 33 Cb 0.52 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 37.29 3kb8 n ASN 33 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3kb8 s THR 34 N -2.21 0.00 -0.59 5.53 -1.32 -1.01 -5.10 115.64 110.94 3kb8 s THR 34 Ca 0.37 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.77 3kb8 s THR 34 Cb 0.29 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.43 3kb8 s THR 34 CO 0.11 0.00 0.46 -0.69 -2.21 0.00 0.00 174.62 172.29 3kb8 s VAL 35 N -3.44 4.37 0.69 5.08 1.01 -1.26 -4.81 120.40 122.03 3kb8 s VAL 35 Ca 0.01 -2.28 -0.11 0.00 0.00 0.00 0.00 61.98 59.60 3kb8 s VAL 35 Cb -0.01 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3kb8 s VAL 35 CO -0.11 -0.86 1.06 -2.16 0.00 0.00 0.00 175.10 173.03 3kb8 s PRO 36 N 0.69 2.98 -0.39 2.72 0.04 -1.26 -4.75 135.00 135.04 3kb8 s PRO 36 Ca 0.12 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 3kb8 s PRO 36 Cb -0.21 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3kb8 s PRO 36 CO -0.03 -1.07 0.27 -1.17 0.04 0.00 0.00 177.00 175.04 3kb8 s LEU 37 N -5.45 4.90 -0.20 -3.56 2.96 -0.30 -1.11 118.68 115.92 3kb8 s LEU 37 Ca 0.58 -0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 3kb8 s LEU 37 Cb -0.14 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3kb8 s LEU 37 CO 0.53 -0.39 0.40 0.00 -1.32 0.00 0.00 176.35 175.58 3kb8 s ALA 38 N 1.67 3.55 -0.13 5.97 0.00 0.32 -0.80 121.76 132.34 3kb8 s ALA 38 Ca 0.05 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3kb8 s ALA 38 Cb -0.19 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.31 3kb8 s ALA 38 CO 0.10 -0.29 -0.22 0.42 0.00 0.00 0.00 175.76 175.77 3kb8 s ILE 39 N 1.28 2.04 -0.09 0.00 1.01 0.93 -0.50 121.20 125.87 3kb8 s ILE 39 Ca 0.19 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3kb8 s ILE 39 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3kb8 s ILE 39 CO 0.08 0.55 0.01 -0.83 0.00 0.00 0.00 174.94 174.75 3kb8 s GLY 40 N 0.75 1.87 -0.37 6.18 0.00 -0.58 -0.24 107.32 114.93 3kb8 s GLY 40 Ca -0.09 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.66 3kb8 s GLY 40 CO -0.00 -0.56 0.49 0.54 0.00 0.00 0.00 173.10 173.56 3kb8 s VAL 41 N -0.90 5.04 0.61 1.40 0.11 -1.23 -1.51 120.40 123.91 3kb8 s VAL 41 Ca 0.13 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.12 3kb8 s VAL 41 Cb -0.11 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 3kb8 s VAL 41 CO 0.02 -0.28 1.24 -0.76 -3.33 0.00 0.00 175.10 172.00 3kb8 s LEU 42 N 2.32 3.65 -0.14 2.54 1.43 -0.70 -3.40 118.68 124.38 3kb8 s LEU 42 Ca 0.17 2.49 0.17 0.00 -1.03 0.00 0.00 54.13 55.93 3kb8 s LEU 42 Cb -0.16 -4.59 -0.24 0.00 0.03 0.00 0.00 46.19 41.23 3kb8 s LEU 42 CO 0.14 -1.73 0.15 0.29 0.23 0.00 0.00 176.35 175.43 3kb8 n LYS 43 N -1.66 0.92 0.28 1.70 5.02 -1.26 -4.77 118.16 118.40 3kb8 n LYS 43 Ca 0.14 -0.05 0.16 0.00 -2.02 0.00 0.00 58.31 56.54 3kb8 n LYS 43 Cb 0.49 -1.47 0.84 0.00 -0.02 0.00 0.00 35.03 34.87 3kb8 n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3kb8 h GLY 44 N 3.60 0.00 1.94 0.72 0.00 -1.73 -2.85 103.07 104.75 3kb8 h GLY 44 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kb8 h GLY 44 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3kb8 n ALA 45 N -2.21 2.22 0.23 3.60 0.00 -1.22 -4.34 120.51 118.79 3kb8 n ALA 45 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 3kb8 n ALA 45 Cb 0.20 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 3kb8 n ALA 45 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3kb8 h MET 46 N 0.00 -0.53 -0.55 0.00 2.86 -1.78 0.42 114.93 115.35 3kb8 h MET 46 Ca 0.00 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3kb8 h MET 46 Cb 0.43 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 3kb8 h MET 46 CO 0.00 -0.27 0.15 -1.35 1.06 0.00 0.00 176.91 176.49 3kb8 h PRO 47 N -0.70 0.29 -0.54 -0.22 0.11 -1.84 -0.81 132.00 128.28 3kb8 h PRO 47 Ca -0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3kb8 h PRO 47 Cb 0.50 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3kb8 h PRO 47 CO 0.09 0.19 0.23 0.35 -0.21 0.00 0.00 178.00 178.65 3kb8 h PHE 48 N 0.29 0.81 -0.62 0.65 3.57 -1.77 -2.55 116.94 117.33 3kb8 h PHE 48 Ca 0.28 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3kb8 h PHE 48 Cb 0.38 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3kb8 h PHE 48 CO -0.21 0.66 0.39 1.98 -2.23 0.00 0.00 178.31 178.89 3kb8 h MET 49 N 0.73 0.83 0.04 1.11 4.05 -0.35 0.22 114.93 121.56 3kb8 h MET 49 Ca 0.18 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3kb8 h MET 49 Cb 0.18 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3kb8 h MET 49 CO -0.02 0.58 -0.09 0.00 0.23 0.00 0.00 176.91 177.61 3kb8 h ALA 50 N 1.20 -0.13 -0.56 0.39 0.00 -1.03 -1.63 119.26 117.51 3kb8 h ALA 50 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3kb8 h ALA 50 Cb -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kb8 h ALA 50 CO -0.04 -0.59 -0.02 -0.44 0.00 0.00 0.00 179.25 178.15 3kb8 h ASP 51 N -0.17 0.98 -0.03 0.00 3.32 -1.28 -2.12 116.42 117.13 3kb8 h ASP 51 Ca 0.02 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 3kb8 h ASP 51 Cb 0.19 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3kb8 h ASP 51 CO -0.06 1.06 0.00 0.25 -1.72 0.00 0.00 179.24 178.77 3kb8 h LEU 52 N 0.88 0.04 -1.29 1.55 5.85 -0.91 -3.05 115.31 118.39 3kb8 h LEU 52 Ca 0.16 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3kb8 h LEU 52 Cb 0.57 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3kb8 h LEU 52 CO 0.03 0.29 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.28 3kb8 h LEU 53 N -0.21 0.37 -2.77 2.25 3.38 -1.30 -1.35 115.31 115.68 3kb8 h LEU 53 Ca 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kb8 h LEU 53 Cb 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kb8 h LEU 53 CO 0.00 0.49 -0.00 0.11 0.09 0.00 0.00 178.44 179.13 3kb8 h LYS 54 N 0.38 0.00 -0.57 1.13 1.57 -1.28 -1.55 116.57 116.25 3kb8 h LYS 54 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kb8 h LYS 54 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kb8 h LYS 54 CO 0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.44 3kb8 n ARG 55 N -3.32 2.82 -3.80 3.15 5.12 -0.53 -4.80 116.66 115.30 3kb8 n ARG 55 Ca -0.03 -2.42 -0.36 0.00 -1.93 0.00 0.00 57.85 53.12 3kb8 n ARG 55 Cb 0.08 -1.46 -0.12 0.00 -1.16 0.00 0.00 32.46 29.81 3kb8 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kb8 s THR 56 N -1.04 3.21 -1.31 0.55 2.01 -0.58 -3.51 115.64 114.97 3kb8 s THR 56 Ca 0.38 -2.17 -0.13 0.00 0.31 0.00 0.00 61.69 60.08 3kb8 s THR 56 Cb 0.20 -3.21 0.12 0.00 0.01 0.00 0.00 72.50 69.62 3kb8 s THR 56 CO 0.26 -0.70 1.83 -0.67 -0.69 0.00 0.00 174.62 174.65 3kb8 n ASP 57 N 4.46 4.80 -3.47 3.53 2.03 -1.26 -4.87 116.55 121.76 3kb8 n ASP 57 Ca -0.01 -2.98 -0.15 0.00 0.52 0.00 0.00 54.79 52.17 3kb8 n ASP 57 Cb 0.41 -1.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.17 3kb8 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3kb8 s THR 58 N 2.12 0.00 0.28 5.18 -1.32 -1.26 -4.96 115.64 115.68 3kb8 s THR 58 Ca 0.45 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.63 3kb8 s THR 58 Cb 0.07 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.95 3kb8 s THR 58 CO -0.00 0.00 1.46 -0.31 -2.21 0.00 0.00 174.62 173.56 3kb8 s TYR 59 N -2.36 2.92 0.01 9.09 2.02 -1.26 -4.98 117.35 122.79 3kb8 s TYR 59 Ca -0.06 1.03 -0.28 0.00 -0.37 0.00 0.00 57.07 57.39 3kb8 s TYR 59 Cb -0.00 -3.88 0.10 0.00 -0.40 0.00 0.00 41.96 37.78 3kb8 s TYR 59 CO -0.01 -2.82 0.86 -0.48 -1.57 0.00 0.00 175.55 171.54 3kb8 s LEU 60 N -0.72 -0.38 0.07 -1.29 0.05 -1.26 -4.14 118.68 111.00 3kb8 s LEU 60 Ca 0.58 0.00 0.07 0.00 0.05 0.00 0.00 54.13 54.84 3kb8 s LEU 60 Cb -0.43 2.07 -0.04 0.00 -2.05 0.00 0.00 46.19 45.74 3kb8 s LEU 60 CO 0.47 -0.65 -0.16 -1.61 -0.55 0.00 0.00 176.35 173.85 3kb8 s GLU 61 N -3.16 2.04 0.08 1.48 2.02 -0.27 -4.98 118.70 115.91 3kb8 s GLU 61 Ca 0.05 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 54.05 3kb8 s GLU 61 Cb -0.01 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3kb8 s GLU 61 CO -0.09 0.52 0.05 -1.64 0.02 0.00 0.00 175.26 174.13 3kb8 s MET 62 N -1.71 2.77 0.22 1.61 -1.94 -1.26 -0.52 119.30 118.48 3kb8 s MET 62 Ca 0.16 -0.74 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 3kb8 s MET 62 Cb -0.11 -2.67 0.02 0.00 2.01 0.00 0.00 34.83 34.09 3kb8 s MET 62 CO 0.08 0.56 0.58 0.34 -0.01 0.00 0.00 175.02 176.56 3kb8 s ASP 63 N -2.38 -0.26 0.02 3.03 -1.08 0.34 -4.89 116.67 111.46 3kb8 s ASP 63 Ca 0.28 -0.55 -0.04 0.00 -0.52 0.00 0.00 52.55 51.72 3kb8 s ASP 63 Cb -0.12 0.62 -0.01 0.00 -1.46 0.00 0.00 42.92 41.95 3kb8 s ASP 63 CO 0.21 -1.14 0.06 -0.36 0.52 0.00 0.00 175.17 174.46 3kb8 s PHE 64 N -3.90 0.19 0.08 -5.34 0.08 -1.26 -1.52 117.98 106.31 3kb8 s PHE 64 Ca 0.11 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.78 3kb8 s PHE 64 Cb -0.02 -0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.25 3kb8 s PHE 64 CO 0.01 -0.29 -0.13 -1.64 -0.10 0.00 0.00 175.22 173.07 3kb8 s MET 65 N -1.95 0.83 -0.03 0.44 -1.94 -0.57 -4.42 119.30 111.65 3kb8 s MET 65 Ca -0.11 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 52.92 3kb8 s MET 65 Cb -0.05 -0.77 -0.01 0.00 2.01 0.00 0.00 34.83 36.01 3kb8 s MET 65 CO -0.02 0.16 -0.18 0.00 -0.01 0.00 0.00 175.02 174.97 3kb8 s ALA 66 N -1.53 1.57 0.10 3.03 0.00 -0.72 -1.72 121.76 122.50 3kb8 s ALA 66 Ca -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 3kb8 s ALA 66 Cb -0.08 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3kb8 s ALA 66 CO 0.02 0.33 0.10 0.14 0.00 0.00 0.00 175.76 176.34 3kb8 s VAL 67 N -0.17 0.14 0.04 0.00 -7.23 -1.26 -0.04 120.40 111.89 3kb8 s VAL 67 Ca 0.01 -1.65 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 3kb8 s VAL 67 Cb -0.10 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 3kb8 s VAL 67 CO 0.01 -0.63 0.14 -0.94 -0.31 0.00 0.00 175.10 173.37 3kb8 s SER 68 N -2.96 0.11 0.51 4.85 1.04 -0.56 -4.86 113.70 111.83 3kb8 s SER 68 Ca 0.14 -0.47 -0.20 0.00 0.48 0.00 0.00 55.95 55.91 3kb8 s SER 68 Cb 0.06 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.37 3kb8 s SER 68 CO -0.05 -0.54 1.05 -0.55 0.98 0.00 0.00 173.24 174.13 3kb8 s SER 69 N -2.15 6.20 0.01 7.02 0.15 -1.26 -0.22 113.70 123.45 3kb8 s SER 69 Ca -0.04 1.94 0.22 0.00 0.70 0.00 0.00 55.95 58.76 3kb8 s SER 69 Cb -0.01 -2.56 -0.26 0.00 -1.71 0.00 0.00 66.02 61.48 3kb8 s SER 69 CO -0.05 -0.88 0.59 -1.22 1.20 0.00 0.00 173.24 172.88 3kb8 n TYR 70 N -1.15 0.22 0.00 3.44 4.02 -1.26 -4.78 117.16 117.66 3kb8 n TYR 70 Ca 0.09 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3kb8 n TYR 70 Cb 0.52 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 3kb8 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kb8 n GLY 71 N 1.27 2.90 0.90 2.72 0.00 -1.26 -4.77 105.19 106.95 3kb8 n GLY 71 Ca -0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 3kb8 n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kb8 n HIS 72 N 0.00 0.00 0.26 1.61 8.25 -1.26 -4.46 115.22 119.62 3kb8 n HIS 72 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 3kb8 n HIS 72 Cb 0.00 -0.09 0.63 0.00 1.12 0.00 0.00 29.99 31.65 3kb8 n HIS 72 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3kb8 h SER 73 N -0.14 0.00 0.03 0.41 0.87 -1.89 -2.18 113.55 110.64 3kb8 h SER 73 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3kb8 h SER 73 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3kb8 h SER 73 CO -0.02 0.07 -0.01 0.74 -0.53 0.00 0.00 176.83 177.08 3kb8 h THR 74 N 0.00 1.13 -0.85 2.23 2.02 -1.85 0.62 112.91 116.21 3kb8 h THR 74 Ca -0.00 -1.74 0.19 0.00 0.77 0.00 0.00 66.41 65.63 3kb8 h THR 74 Cb 0.56 2.10 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 3kb8 h THR 74 CO 0.01 0.37 0.57 0.58 0.37 0.00 0.00 175.52 177.41 3kb8 h VAL 75 N -0.96 0.71 0.00 3.16 2.07 -1.76 -1.32 116.25 118.16 3kb8 h VAL 75 Ca -0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kb8 h VAL 75 Cb 0.63 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3kb8 h VAL 75 CO 0.01 0.07 -0.73 -1.54 0.02 0.00 0.00 177.57 175.40 3kb8 n SER 76 N -4.49 1.46 0.00 0.57 3.41 -0.83 -4.76 113.62 108.98 3kb8 n SER 76 Ca 0.18 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3kb8 n SER 76 Cb 0.65 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 3kb8 n SER 76 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3kb8 n THR 77 N -1.40 0.00 -0.36 6.66 5.66 0.20 -5.02 114.28 120.02 3kb8 n THR 77 Ca 0.00 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3kb8 n THR 77 Cb 0.15 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 3kb8 n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kb8 n GLY 78 N 0.71 1.31 3.70 1.09 0.00 -0.39 -4.68 105.19 106.93 3kb8 n GLY 78 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3kb8 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kb8 n GLU 79 N -2.00 2.57 -4.23 1.61 2.13 -1.14 -4.30 120.64 115.28 3kb8 n GLU 79 Ca 0.00 0.93 -0.13 0.00 0.66 0.00 0.00 57.16 58.62 3kb8 n GLU 79 Cb 0.00 -2.75 -0.10 0.00 0.27 0.00 0.00 31.44 28.86 3kb8 n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3kb8 s VAL 80 N 1.16 1.01 -0.05 6.31 -7.23 -1.26 -3.57 120.40 116.75 3kb8 s VAL 80 Ca 0.77 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.64 3kb8 s VAL 80 Cb -0.56 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 3kb8 s VAL 80 CO 0.34 -0.76 0.89 -0.75 -0.31 0.00 0.00 175.10 174.51 3kb8 s LYS 81 N -3.78 4.48 -0.29 4.82 2.20 0.69 -4.88 119.74 122.97 3kb8 s LYS 81 Ca 0.16 1.21 -0.27 0.00 -0.36 0.00 0.00 55.97 56.71 3kb8 s LYS 81 Cb 0.04 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3kb8 s LYS 81 CO -0.01 -0.09 0.98 0.42 -0.36 0.00 0.00 175.35 176.30 3kb8 s ILE 82 N 1.22 4.64 -0.14 5.43 -1.09 -1.26 -1.49 121.20 128.50 3kb8 s ILE 82 Ca 0.46 1.66 0.13 0.00 -2.23 0.00 0.00 60.65 60.66 3kb8 s ILE 82 Cb -0.19 -4.31 -0.24 0.00 -1.58 0.00 0.00 42.46 36.14 3kb8 s ILE 82 CO 0.22 -0.33 0.28 0.18 -1.23 0.00 0.00 174.94 174.05 3kb8 n LEU 83 N 6.53 0.77 -3.62 2.97 4.77 0.95 -4.80 117.00 124.56 3kb8 n LEU 83 Ca 0.10 0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 3kb8 n LEU 83 Cb 0.47 0.14 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 3kb8 n LEU 83 CO 0.55 0.52 -0.32 -0.75 -1.33 0.00 0.00 177.39 176.06 3kb8 s LYS 84 N -2.54 0.03 0.81 3.23 2.20 -0.85 -4.92 119.74 117.70 3kb8 s LYS 84 Ca -0.11 0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.51 3kb8 s LYS 84 Cb 0.07 -1.34 0.12 0.00 -1.51 0.00 0.00 37.83 35.18 3kb8 s LYS 84 CO 0.80 -0.55 1.13 0.34 -0.36 0.00 0.00 175.35 176.71 3kb8 s ASP 85 N 2.17 4.10 0.67 1.43 -1.08 -1.26 -1.75 116.67 120.94 3kb8 s ASP 85 Ca 0.03 0.24 -0.16 0.00 -0.52 0.00 0.00 52.55 52.14 3kb8 s ASP 85 Cb -0.15 -0.61 0.00 0.00 -1.46 0.00 0.00 42.92 40.71 3kb8 s ASP 85 CO -0.07 -2.07 1.18 -0.76 0.52 0.00 0.00 175.17 173.96 3kb8 s LEU 86 N -5.47 3.45 0.00 -1.34 1.43 -1.26 -4.82 118.68 110.67 3kb8 s LEU 86 Ca 0.66 2.27 0.28 0.00 -1.03 0.00 0.00 54.13 56.32 3kb8 s LEU 86 Cb -0.07 -4.58 1.21 0.00 0.03 0.00 0.00 46.19 42.77 3kb8 s LEU 86 CO 0.48 -1.88 1.83 0.47 0.23 0.00 0.00 176.35 177.48 3kb8 n ASP 87 N -2.26 1.14 -4.12 2.29 8.00 -1.26 -4.88 116.55 115.46 3kb8 n ASP 87 Ca 0.13 -1.41 -0.11 0.00 0.71 0.00 0.00 54.79 54.11 3kb8 n ASP 87 Cb 0.50 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.51 3kb8 n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kb8 s THR 88 N -1.98 0.02 0.48 -3.53 -1.32 -1.26 -5.16 115.64 102.89 3kb8 s THR 88 Ca 0.39 -1.77 -0.19 0.00 -1.21 0.00 0.00 61.69 58.91 3kb8 s THR 88 Cb 0.21 -2.30 -0.09 0.00 -1.51 0.00 0.00 72.50 68.80 3kb8 s THR 88 CO 0.33 -0.08 0.98 -0.94 -2.21 0.00 0.00 174.62 172.70 3kb8 s SER 89 N -3.09 6.68 0.07 8.08 1.04 -1.26 -4.98 113.70 120.23 3kb8 s SER 89 Ca 0.31 1.70 0.15 0.00 0.48 0.00 0.00 55.95 58.58 3kb8 s SER 89 Cb 0.05 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.49 3kb8 s SER 89 CO 0.09 -0.55 0.90 0.58 0.98 0.00 0.00 173.24 175.24 3kb8 h VAL 90 N 1.45 0.73 -1.53 5.02 2.07 -1.96 -3.45 116.25 118.58 3kb8 h VAL 90 Ca -0.48 -2.32 -0.73 0.00 0.82 0.00 0.00 66.70 63.99 3kb8 h VAL 90 Cb 1.19 2.24 0.03 0.00 -1.52 0.00 0.00 31.29 33.23 3kb8 h VAL 90 CO 0.61 0.42 0.68 1.21 0.02 0.00 0.00 177.57 180.50 3kb8 n GLU 91 N -3.01 1.01 -0.84 1.57 2.13 -1.08 -0.70 120.64 119.71 3kb8 n GLU 91 Ca -0.09 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3kb8 n GLU 91 Cb 0.89 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.58 3kb8 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kb8 n GLY 92 N 3.42 0.53 3.90 8.31 0.00 -0.08 -4.92 105.19 116.35 3kb8 n GLY 92 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3kb8 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kb8 s ARG 93 N -0.49 3.64 -0.38 1.61 1.81 0.12 -4.34 118.95 120.92 3kb8 s ARG 93 Ca 0.00 -0.03 -0.20 0.00 -1.72 0.00 0.00 55.73 53.77 3kb8 s ARG 93 Cb 0.00 -2.75 0.01 0.00 -0.45 0.00 0.00 34.95 31.76 3kb8 s ARG 93 CO 0.00 0.36 0.62 -0.51 -0.68 0.00 0.00 175.30 175.09 3kb8 s ASP 94 N -2.74 6.38 -0.18 0.23 1.01 -1.26 0.10 116.67 120.21 3kb8 s ASP 94 Ca 0.43 -0.04 -0.14 0.00 0.71 0.00 0.00 52.55 53.51 3kb8 s ASP 94 Cb -0.11 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 3kb8 s ASP 94 CO 0.26 -0.64 0.31 -0.63 0.21 0.00 0.00 175.17 174.68 3kb8 s ILE 95 N 2.70 5.28 -0.28 0.77 -1.09 0.65 -1.15 121.20 128.09 3kb8 s ILE 95 Ca 0.23 0.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.23 3kb8 s ILE 95 Cb -0.14 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 3kb8 s ILE 95 CO 0.16 0.35 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.93 3kb8 s LEU 96 N 0.76 3.64 -0.27 2.97 2.96 0.02 -0.79 118.68 127.98 3kb8 s LEU 96 Ca 0.16 -1.37 -0.20 0.00 -0.22 0.00 0.00 54.13 52.50 3kb8 s LEU 96 Cb -0.13 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3kb8 s LEU 96 CO 0.05 -0.22 0.64 -0.63 -1.32 0.00 0.00 176.35 174.87 3kb8 s ILE 97 N 1.15 4.97 -0.26 6.68 1.01 0.49 -0.05 121.20 135.19 3kb8 s ILE 97 Ca -0.07 1.07 -0.12 0.00 0.00 0.00 0.00 60.65 61.52 3kb8 s ILE 97 Cb -0.20 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 3kb8 s ILE 97 CO -0.04 -0.02 0.24 -0.69 0.00 0.00 0.00 174.94 174.43 3kb8 s VAL 98 N 2.55 5.28 0.16 2.92 1.01 0.67 -1.32 120.40 131.67 3kb8 s VAL 98 Ca 0.26 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.63 3kb8 s VAL 98 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3kb8 s VAL 98 CO 0.09 0.26 -0.15 -0.70 0.00 0.00 0.00 175.10 174.60 3kb8 s GLU 99 N 1.57 1.20 -0.12 2.72 2.56 -0.07 -3.55 118.70 123.00 3kb8 s GLU 99 Ca 0.10 -1.42 -0.13 0.00 0.00 0.00 0.00 54.97 53.52 3kb8 s GLU 99 Cb -0.15 -1.08 -0.11 0.00 2.00 0.00 0.00 34.13 34.79 3kb8 s GLU 99 CO 0.08 0.20 0.29 0.38 -0.56 0.00 0.00 175.26 175.66 3kb8 h ASP 100 N 3.08 0.00 -4.64 -1.70 3.04 -1.87 -2.34 116.42 111.98 3kb8 h ASP 100 Ca -0.40 -0.41 -0.12 0.00 -3.24 0.00 0.00 57.03 52.86 3kb8 h ASP 100 Cb 1.21 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.28 3kb8 h ASP 100 CO 0.55 0.76 -0.26 -0.51 -2.04 0.00 0.00 179.24 177.75 3kb8 s ILE 101 N -1.90 0.04 -0.16 4.15 2.07 -1.26 -0.79 121.20 123.34 3kb8 s ILE 101 Ca -0.10 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.85 3kb8 s ILE 101 Cb -0.01 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 41.99 3kb8 s ILE 101 CO 0.31 -0.17 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.35 3kb8 s ILE 102 N -0.85 2.25 0.00 2.00 1.01 -1.06 -4.98 121.20 119.56 3kb8 s ILE 102 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3kb8 s ILE 102 Cb -0.04 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3kb8 s ILE 102 CO 0.03 0.53 0.00 -0.67 0.00 0.00 0.00 174.94 174.84 3kb8 n ASP 103 N 4.32 0.00 0.05 3.58 2.03 -1.26 -1.27 116.55 124.00 3kb8 n ASP 103 Ca -0.20 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.02 3kb8 n ASP 103 Cb 0.51 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.97 3kb8 n ASP 103 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kb8 h SER 104 N 0.00 0.46 0.00 1.67 4.64 -1.86 -2.66 113.55 115.80 3kb8 h SER 104 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3kb8 h SER 104 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3kb8 h SER 104 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3kb8 n GLY 105 N 0.40 0.56 0.09 -0.77 0.00 -1.26 -1.69 105.19 102.51 3kb8 n GLY 105 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3kb8 n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kb8 h LEU 106 N 0.00 0.16 -0.37 0.99 3.38 -1.93 -1.11 115.31 116.43 3kb8 h LEU 106 Ca 0.00 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3kb8 h LEU 106 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kb8 h LEU 106 CO 0.00 0.35 -0.18 0.74 0.09 0.00 0.00 178.44 179.44 3kb8 h THR 107 N -0.03 1.28 -0.82 0.22 2.02 -1.87 -1.80 112.91 111.91 3kb8 h THR 107 Ca 0.03 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 3kb8 h THR 107 Cb 0.25 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3kb8 h THR 107 CO 0.00 0.43 0.48 0.25 0.37 0.00 0.00 175.52 177.05 3kb8 h LEU 108 N 0.57 1.00 -0.47 2.58 5.85 -1.88 -0.46 115.31 122.49 3kb8 h LEU 108 Ca 0.08 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kb8 h LEU 108 Cb 0.72 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3kb8 h LEU 108 CO 0.05 0.78 0.14 -1.28 -0.34 0.00 0.00 178.44 177.80 3kb8 h SER 109 N 1.14 0.69 -0.52 1.25 0.87 -1.01 0.48 113.55 116.45 3kb8 h SER 109 Ca 0.29 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3kb8 h SER 109 Cb -0.02 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 3kb8 h SER 109 CO -0.05 0.71 0.26 0.22 -0.53 0.00 0.00 176.83 177.44 3kb8 h TYR 110 N 0.63 0.47 -0.39 2.24 3.20 -0.38 -2.16 116.97 120.57 3kb8 h TYR 110 Ca 0.15 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3kb8 h TYR 110 Cb 0.27 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3kb8 h TYR 110 CO 0.01 0.22 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.66 3kb8 h LEU 111 N 0.50 0.69 -0.44 2.82 3.38 -0.68 -0.03 115.31 121.55 3kb8 h LEU 111 Ca 0.23 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kb8 h LEU 111 Cb 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3kb8 h LEU 111 CO -0.17 0.85 0.19 0.58 0.09 0.00 0.00 178.44 179.97 3kb8 h VAL 112 N 0.52 0.91 0.00 1.22 2.07 -0.74 0.11 116.25 120.34 3kb8 h VAL 112 Ca 0.11 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 3kb8 h VAL 112 Cb 0.50 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3kb8 h VAL 112 CO 0.02 0.07 -0.57 0.44 0.02 0.00 0.00 177.57 177.55 3kb8 h ASP 113 N 0.38 0.00 -0.10 0.57 3.32 -1.28 -1.16 116.42 118.15 3kb8 h ASP 113 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kb8 h ASP 113 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3kb8 h ASP 113 CO -0.17 0.57 0.07 0.25 -1.72 0.00 0.00 179.24 178.23 3kb8 h LEU 114 N 0.00 0.12 -1.01 1.55 5.85 -0.26 -0.40 115.31 121.17 3kb8 h LEU 114 Ca -0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3kb8 h LEU 114 Cb 1.19 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3kb8 h LEU 114 CO 0.07 0.10 0.27 -0.26 -0.34 0.00 0.00 178.44 178.29 3kb8 h PHE 115 N 0.13 0.99 -0.64 1.25 0.04 -0.63 0.76 116.94 118.84 3kb8 h PHE 115 Ca 0.04 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3kb8 h PHE 115 Cb 0.00 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 3kb8 h PHE 115 CO -0.07 0.76 0.29 0.87 -0.60 0.00 0.00 178.31 179.56 3kb8 h LYS 116 N 0.97 0.94 -0.41 1.51 1.57 -1.09 -2.06 116.57 117.99 3kb8 h LYS 116 Ca 0.23 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kb8 h LYS 116 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3kb8 h LYS 116 CO -0.02 0.76 0.12 -0.92 -0.57 0.00 0.00 179.45 178.82 3kb8 h TYR 117 N 0.89 0.60 0.00 -1.35 3.20 -0.33 0.54 116.97 120.52 3kb8 h TYR 117 Ca 0.22 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kb8 h TYR 117 Cb 0.15 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3kb8 h TYR 117 CO 0.01 0.51 0.00 0.54 -1.64 0.00 0.00 178.16 177.57 3kb8 n ARG 118 N -4.34 0.90 -3.16 1.82 1.74 0.19 -4.87 116.66 108.95 3kb8 n ARG 118 Ca 0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 3kb8 n ARG 118 Cb 0.18 -1.01 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 3kb8 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kb8 n LYS 119 N -0.49 -4.93 -1.73 5.56 5.02 0.18 -2.65 118.16 119.12 3kb8 n LYS 119 Ca 0.00 0.54 -0.38 0.00 -2.02 0.00 0.00 58.31 56.45 3kb8 n LYS 119 Cb 0.00 -4.68 0.06 0.00 -0.02 0.00 0.00 35.03 30.40 3kb8 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kb8 n ALA 120 N -4.00 1.34 -0.04 7.82 0.00 -0.89 -0.90 120.51 123.84 3kb8 n ALA 120 Ca -0.00 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 3kb8 n ALA 120 Cb 0.54 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3kb8 n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kb8 h LYS 121 N 0.97 0.83 -3.13 0.00 3.64 0.46 -3.44 116.57 115.90 3kb8 h LYS 121 Ca -0.51 -0.63 -0.08 0.00 -1.27 0.00 0.00 60.65 58.17 3kb8 h LYS 121 Cb 1.32 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 33.10 3kb8 h LYS 121 CO 0.55 1.24 -0.14 -1.54 -2.27 0.00 0.00 179.45 177.29 3kb8 s SER 122 N -7.06 -0.24 -0.07 4.20 1.04 -1.14 -4.97 113.70 105.46 3kb8 s SER 122 Ca -0.10 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3kb8 s SER 122 Cb 0.09 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.65 3kb8 s SER 122 CO 0.90 -0.67 -0.05 -0.69 0.98 0.00 0.00 173.24 173.72 3kb8 s VAL 123 N -2.61 0.67 0.14 5.02 1.01 -1.26 -0.25 120.40 123.12 3kb8 s VAL 123 Ca -0.04 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3kb8 s VAL 123 Cb -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3kb8 s VAL 123 CO -0.03 0.28 -0.10 -0.54 0.00 0.00 0.00 175.10 174.70 3kb8 s LYS 124 N 1.31 1.05 -0.08 2.72 1.02 0.03 -4.98 119.74 120.81 3kb8 s LYS 124 Ca -0.04 -1.43 0.04 0.00 0.02 0.00 0.00 55.97 54.56 3kb8 s LYS 124 Cb -0.14 -0.62 -0.00 0.00 -0.52 0.00 0.00 37.83 36.55 3kb8 s LYS 124 CO -0.02 0.08 -0.21 0.42 -0.92 0.00 0.00 175.35 174.69 3kb8 s ILE 125 N -3.25 1.82 -0.15 2.17 1.01 -1.26 -0.38 121.20 121.17 3kb8 s ILE 125 Ca 0.16 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3kb8 s ILE 125 Cb 0.02 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 3kb8 s ILE 125 CO 0.01 0.51 -0.15 0.54 0.00 0.00 0.00 174.94 175.84 3kb8 s VAL 126 N 0.26 2.69 -0.02 2.92 0.11 -0.44 -1.21 120.40 124.72 3kb8 s VAL 126 Ca -0.13 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.19 3kb8 s VAL 126 Cb -0.16 -2.13 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 3kb8 s VAL 126 CO 0.06 0.52 -0.14 0.28 -3.33 0.00 0.00 175.10 172.49 3kb8 s THR 127 N 0.70 1.10 0.09 5.04 -1.32 -0.51 -0.89 115.64 119.85 3kb8 s THR 127 Ca -0.07 -0.58 -0.17 0.00 -1.21 0.00 0.00 61.69 59.67 3kb8 s THR 127 Cb -0.16 -0.93 -0.09 0.00 -1.51 0.00 0.00 72.50 69.82 3kb8 s THR 127 CO 0.02 0.32 1.44 0.25 -2.21 0.00 0.00 174.62 174.43 3kb8 h LEU 128 N 5.95 0.61 -8.80 9.08 5.85 -1.34 -1.18 115.31 125.49 3kb8 h LEU 128 Ca -0.34 -0.43 -0.60 0.00 0.84 0.00 0.00 57.88 57.35 3kb8 h LEU 128 Cb 1.16 -0.17 -0.21 0.00 0.37 0.00 0.00 40.66 41.81 3kb8 h LEU 128 CO 0.49 0.91 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.90 3kb8 s LEU 129 N -9.14 2.33 -0.02 2.25 1.43 0.03 -0.99 118.68 114.57 3kb8 s LEU 129 Ca -0.13 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 3kb8 s LEU 129 Cb 0.08 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3kb8 s LEU 129 CO 0.79 0.09 -0.03 -0.62 0.23 0.00 0.00 176.35 176.82 3kb8 s ASP 130 N -2.10 0.58 -0.57 2.29 2.15 -0.58 -2.55 116.67 115.88 3kb8 s ASP 130 Ca 0.11 -0.07 0.06 0.00 0.43 0.00 0.00 52.55 53.08 3kb8 s ASP 130 Cb -0.09 -0.23 0.23 0.00 -0.30 0.00 0.00 42.92 42.53 3kb8 s ASP 130 CO 0.06 -0.04 0.61 1.17 -0.17 0.00 0.00 175.17 176.80 3kb8 n LYS 131 N 3.73 1.75 0.20 4.34 4.81 -0.39 -0.47 118.16 132.13 3kb8 n LYS 131 Ca -0.22 -4.16 0.14 0.00 -0.87 0.00 0.00 58.31 53.21 3kb8 n LYS 131 Cb 0.53 -1.96 0.57 0.00 0.02 0.00 0.00 35.03 34.19 3kb8 n LYS 131 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kb8 h PRO 132 N 4.50 0.00 0.00 1.64 0.13 -1.83 -2.41 132.00 134.03 3kb8 h PRO 132 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 3kb8 h PRO 132 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3kb8 h PRO 132 CO 0.68 0.00 -0.16 1.79 -0.23 0.00 0.00 178.00 180.09 3kb8 h THR 133 N 0.00 0.54 -0.02 1.56 1.35 -1.91 -2.99 112.91 111.44 3kb8 h THR 133 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3kb8 h THR 133 Cb 0.46 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3kb8 h THR 133 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 3kb8 n GLY 134 N -0.37 -0.62 3.66 5.82 0.00 -0.91 -4.98 105.19 107.80 3kb8 n GLY 134 Ca -0.01 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3kb8 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb8 n ARG 135 N -0.53 1.41 0.00 1.61 5.12 -1.00 -3.74 116.66 119.52 3kb8 n ARG 135 Ca 0.20 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 3kb8 n ARG 135 Cb 0.19 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.21 3kb8 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3kb8 n LYS 136 N -0.50 -0.77 -3.77 5.56 4.76 -0.68 -4.94 118.16 117.82 3kb8 n LYS 136 Ca 0.10 -0.41 -0.10 0.00 -2.87 0.00 0.00 58.31 55.03 3kb8 n LYS 136 Cb 0.43 -0.91 -0.07 0.00 -1.84 0.00 0.00 35.03 32.65 3kb8 n LYS 136 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kb8 s VAL 137 N -0.01 0.11 -0.36 -0.18 0.11 -1.24 -5.00 120.40 113.83 3kb8 s VAL 137 Ca 0.00 -0.88 -0.28 0.00 -2.93 0.00 0.00 61.98 57.89 3kb8 s VAL 137 Cb 0.00 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 3kb8 s VAL 137 CO 0.00 -0.49 1.04 -1.81 -3.33 0.00 0.00 175.10 170.51 3kb8 s ASP 138 N -2.59 6.81 -0.27 3.54 -0.00 -1.26 -4.94 116.67 117.97 3kb8 s ASP 138 Ca 0.01 0.83 -0.03 0.00 -0.00 0.00 0.00 52.55 53.36 3kb8 s ASP 138 Cb 0.02 -2.52 0.15 0.00 -0.00 0.00 0.00 42.92 40.58 3kb8 s ASP 138 CO -0.09 -0.92 0.49 -0.22 -0.00 0.00 0.00 175.17 174.43 3kb8 s LEU 139 N 3.71 -0.98 -0.20 1.23 2.96 -1.26 -5.08 118.68 119.06 3kb8 s LEU 139 Ca 0.43 0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 54.93 3kb8 s LEU 139 Cb -0.11 1.64 -0.03 0.00 0.50 0.00 0.00 46.19 48.19 3kb8 s LEU 139 CO 0.19 -0.27 0.04 -0.75 -1.32 0.00 0.00 176.35 174.24 3kb8 s LYS 140 N 2.70 3.77 0.46 1.98 2.20 -1.26 -5.05 119.74 124.54 3kb8 s LYS 140 Ca 0.14 -0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 55.09 3kb8 s LYS 140 Cb -0.15 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 3kb8 s LYS 140 CO -0.18 0.07 1.06 0.00 -0.36 0.00 0.00 175.35 175.94 3kb8 s ALA 141 N 0.90 2.94 -0.10 3.13 0.00 -1.26 -4.92 121.76 122.45 3kb8 s ALA 141 Ca 0.03 0.68 0.13 0.00 0.00 0.00 0.00 51.96 52.80 3kb8 s ALA 141 Cb -0.14 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3kb8 s ALA 141 CO 0.02 -0.33 1.37 -0.44 0.00 0.00 0.00 175.76 176.39 3kb8 h ASP 142 N 1.90 0.00 -3.59 0.00 3.32 -1.55 -3.44 116.42 113.06 3kb8 h ASP 142 Ca -0.49 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.27 3kb8 h ASP 142 Cb 1.22 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.45 3kb8 h ASP 142 CO 0.60 0.62 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.70 3kb8 s TYR 143 N -2.90 0.06 -0.02 4.55 2.02 -0.49 -5.01 117.35 115.56 3kb8 s TYR 143 Ca 0.03 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 3kb8 s TYR 143 Cb 0.08 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 3kb8 s TYR 143 CO 0.77 -0.07 0.00 0.08 -1.57 0.00 0.00 175.55 174.76 3kb8 s VAL 144 N 0.74 0.11 -0.07 0.71 1.01 -1.26 -1.42 120.40 120.22 3kb8 s VAL 144 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3kb8 s VAL 144 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 3kb8 s VAL 144 CO -0.02 0.09 0.05 1.23 0.00 0.00 0.00 175.10 176.45 3kb8 h GLY 145 N 6.83 -0.04 -5.64 4.51 0.00 -1.01 -3.49 103.07 104.23 3kb8 h GLY 145 Ca -0.37 0.01 -0.23 0.00 0.00 0.00 0.00 47.33 46.74 3kb8 h GLY 145 CO 0.49 -0.01 -0.70 -1.36 0.00 0.00 0.00 176.54 174.96 3kb8 s PHE 146 N -1.53 -0.02 -0.08 5.60 0.08 -0.17 -5.02 117.98 116.84 3kb8 s PHE 146 Ca -0.01 0.07 -0.18 0.00 0.12 0.00 0.00 56.93 56.93 3kb8 s PHE 146 Cb 0.00 -0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 3kb8 s PHE 146 CO 0.02 -0.02 0.48 0.99 -0.10 0.00 0.00 175.22 176.59 3kb8 s THR 147 N 0.13 5.12 0.24 0.64 2.01 -1.26 -1.53 115.64 121.00 3kb8 s THR 147 Ca -0.01 0.97 0.11 0.00 0.31 0.00 0.00 61.69 63.07 3kb8 s THR 147 Cb -0.02 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3kb8 s THR 147 CO -0.00 0.38 -0.20 0.54 -0.69 0.00 0.00 174.62 174.65 3kb8 s VAL 148 N 0.21 2.32 1.16 3.82 0.11 0.38 -4.91 120.40 123.49 3kb8 s VAL 148 Ca 0.26 -2.27 -0.19 0.00 -2.93 0.00 0.00 61.98 56.85 3kb8 s VAL 148 Cb -0.16 -2.20 0.28 0.00 -1.53 0.00 0.00 36.38 32.77 3kb8 s VAL 148 CO 0.12 -0.36 1.19 -2.84 -3.33 0.00 0.00 175.10 169.88 3kb8 s PRO 149 N -3.30 -0.90 -1.31 1.54 0.02 -1.26 -4.47 135.00 125.32 3kb8 s PRO 149 Ca 0.26 -0.28 -0.11 0.00 0.02 0.00 0.00 61.00 60.89 3kb8 s PRO 149 Cb -0.05 -1.65 0.13 0.00 0.02 0.00 0.00 34.50 32.95 3kb8 s PRO 149 CO 0.12 -3.46 1.88 1.58 -0.33 0.00 0.00 177.00 176.79 3kb8 n HIS 150 N -4.54 3.46 -4.09 6.54 -0.00 -1.26 -4.88 115.22 110.45 3kb8 n HIS 150 Ca 0.15 -2.91 -0.14 0.00 0.46 0.00 0.00 57.72 55.28 3kb8 n HIS 150 Cb 0.60 -2.15 -0.12 0.00 -0.12 0.00 0.00 29.99 28.19 3kb8 n HIS 150 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 3kb8 s GLU 151 N 1.38 0.52 -0.12 1.57 -1.05 -1.26 -5.13 118.70 114.60 3kb8 s GLU 151 Ca 0.42 -0.64 -0.29 0.00 -0.15 0.00 0.00 54.97 54.31 3kb8 s GLU 151 Cb 0.08 -0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.41 3kb8 s GLU 151 CO -0.01 0.07 1.29 0.12 0.95 0.00 0.00 175.26 177.67 3kb8 s PHE 152 N -1.10 2.87 0.25 4.83 5.36 -1.26 -5.03 117.98 123.89 3kb8 s PHE 152 Ca -0.07 0.98 0.09 0.00 -0.96 0.00 0.00 56.93 56.97 3kb8 s PHE 152 Cb -0.08 -3.53 -0.05 0.00 -0.34 0.00 0.00 43.02 39.02 3kb8 s PHE 152 CO 0.00 -1.82 -0.14 0.14 -1.46 0.00 0.00 175.22 171.95 3kb8 s VAL 153 N 3.15 1.92 0.28 3.12 -7.23 -1.26 -4.56 120.40 115.82 3kb8 s VAL 153 Ca 0.57 -2.24 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3kb8 s VAL 153 Cb -0.24 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 3kb8 s VAL 153 CO 0.18 -0.46 0.09 0.68 -0.31 0.00 0.00 175.10 175.28 3kb8 s VAL 154 N -2.85 0.70 0.00 1.32 -7.23 -0.52 -4.72 120.40 107.11 3kb8 s VAL 154 Ca 0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3kb8 s VAL 154 Cb -0.01 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.27 3kb8 s VAL 154 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 3kb8 n GLY 155 N -0.54 2.22 3.88 2.32 0.00 -0.24 -1.04 105.19 111.79 3kb8 n GLY 155 Ca -0.01 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 3kb8 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kb8 n TYR 156 N 1.99 -1.78 0.00 1.61 9.36 -0.26 -1.72 117.16 126.36 3kb8 n TYR 156 Ca 0.00 0.79 0.00 0.00 3.32 0.00 0.00 57.90 62.01 3kb8 n TYR 156 Cb 0.00 -3.93 0.00 0.00 -0.63 0.00 0.00 39.34 34.78 3kb8 n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kb8 n GLY 157 N -1.80 2.09 3.73 2.98 0.00 0.05 -4.50 105.19 107.75 3kb8 n GLY 157 Ca -0.26 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3kb8 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kb8 s LEU 158 N 0.00 4.52 0.32 0.99 1.43 -0.70 -4.20 118.68 121.04 3kb8 s LEU 158 Ca 0.00 1.89 0.10 0.00 -1.03 0.00 0.00 54.13 55.09 3kb8 s LEU 158 Cb 0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 3kb8 s LEU 158 CO 0.00 -0.06 -0.05 1.51 0.23 0.00 0.00 176.35 177.97 3kb8 s ASP 159 N -0.23 4.01 -0.19 2.29 -4.77 -1.26 -1.08 116.67 115.44 3kb8 s ASP 159 Ca 0.46 -1.01 -0.01 0.00 -3.30 0.00 0.00 52.55 48.69 3kb8 s ASP 159 Cb -0.25 -0.48 0.05 0.00 -1.09 0.00 0.00 42.92 41.15 3kb8 s ASP 159 CO 0.31 -0.15 -0.01 -0.47 0.70 0.00 0.00 175.17 175.55 3kb8 s TYR 160 N -2.52 1.51 -1.37 2.11 5.04 -0.74 -4.83 117.35 116.55 3kb8 s TYR 160 Ca 0.33 -1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 53.85 3kb8 s TYR 160 Cb -0.01 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 41.08 3kb8 s TYR 160 CO 0.18 -0.64 0.56 1.63 -1.34 0.00 0.00 175.55 175.94 3kb8 n LYS 161 N 4.92 -4.09 -0.47 4.97 4.76 -1.26 -2.02 118.16 124.97 3kb8 n LYS 161 Ca -0.10 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 3kb8 n LYS 161 Cb 0.47 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.80 3kb8 n LYS 161 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kb8 n GLU 162 N -4.35 0.00 -3.56 1.97 -0.58 -1.26 -4.99 120.64 107.87 3kb8 n GLU 162 Ca -0.29 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.25 3kb8 n GLU 162 Cb 0.68 -3.15 -0.01 0.00 -0.57 0.00 0.00 31.44 28.38 3kb8 n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kb8 s GLN 163 N -0.29 3.20 0.00 3.49 -0.21 -0.85 -4.64 119.66 120.36 3kb8 s GLN 163 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3kb8 s GLN 163 Cb 0.00 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.19 3kb8 s GLN 163 CO 0.00 0.13 0.00 0.66 -2.12 0.00 0.00 175.29 173.96 3kb8 n TYR 164 N -1.61 0.00 0.13 0.91 4.01 -1.26 -1.79 117.16 117.54 3kb8 n TYR 164 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 3kb8 n TYR 164 Cb 0.58 -0.10 0.62 0.00 -0.31 0.00 0.00 39.34 40.13 3kb8 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kb8 h ARG 165 N 2.35 0.10 0.00 -0.72 3.08 -1.81 -2.47 114.38 114.91 3kb8 h ARG 165 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kb8 h ARG 165 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3kb8 h ARG 165 CO 0.00 0.07 0.00 0.27 -1.07 0.00 0.00 179.97 179.24 3kb8 n ASN 166 N -4.48 0.00 -4.77 7.04 6.94 -1.26 -0.77 115.26 117.96 3kb8 n ASN 166 Ca 0.02 -0.55 -0.40 0.00 -0.02 0.00 0.00 54.58 53.63 3kb8 n ASN 166 Cb 0.25 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.52 3kb8 n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kb8 s LEU 167 N -2.29 4.31 0.00 -4.53 1.43 -0.94 -4.84 118.68 111.82 3kb8 s LEU 167 Ca 0.37 2.82 0.09 0.00 -1.03 0.00 0.00 54.13 56.38 3kb8 s LEU 167 Cb 0.21 -3.74 0.37 0.00 0.03 0.00 0.00 46.19 43.06 3kb8 s LEU 167 CO 0.41 -0.78 1.26 -0.81 0.23 0.00 0.00 176.35 176.66 3kb8 n PRO 168 N 0.44 1.31 -4.15 1.29 -0.04 -1.26 -1.10 135.00 131.48 3kb8 n PRO 168 Ca 0.02 -0.48 -0.11 0.00 -0.04 0.00 0.00 63.50 62.88 3kb8 n PRO 168 Cb 0.41 -1.17 -0.09 0.00 -0.04 0.00 0.00 33.50 32.61 3kb8 n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3kb8 s TYR 169 N -1.84 0.98 -0.23 0.54 -0.85 -1.26 -3.78 117.35 110.91 3kb8 s TYR 169 Ca 0.15 -1.23 -0.07 0.00 -0.52 0.00 0.00 57.07 55.40 3kb8 s TYR 169 Cb 0.08 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.01 3kb8 s TYR 169 CO 0.11 -0.74 0.07 0.08 -1.52 0.00 0.00 175.55 173.56 3kb8 s VAL 170 N -4.10 4.52 0.40 -3.49 1.01 -0.52 -3.26 120.40 114.97 3kb8 s VAL 170 Ca 0.35 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3kb8 s VAL 170 Cb 0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3kb8 s VAL 170 CO 0.12 0.38 0.14 -0.83 0.00 0.00 0.00 175.10 174.90 3kb8 s GLY 171 N 1.17 2.55 -0.11 4.51 0.00 -0.20 -0.37 107.32 114.87 3kb8 s GLY 171 Ca 0.05 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.45 3kb8 s GLY 171 CO 0.03 -1.79 -0.21 0.14 0.00 0.00 0.00 173.10 171.27 3kb8 s VAL 172 N -3.25 2.33 0.46 1.40 1.01 -0.39 -1.43 120.40 120.54 3kb8 s VAL 172 Ca 0.26 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 3kb8 s VAL 172 Cb 0.03 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 3kb8 s VAL 172 CO 0.16 0.55 1.15 -0.76 0.00 0.00 0.00 175.10 176.20 3kb8 s LEU 173 N 0.31 4.00 0.46 3.92 1.43 -1.26 -0.42 118.68 127.11 3kb8 s LEU 173 Ca -0.16 2.27 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 3kb8 s LEU 173 Cb -0.17 -4.27 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 3kb8 s LEU 173 CO 0.08 -0.91 1.25 -0.54 0.23 0.00 0.00 176.35 176.46 3kb8 s LYS 174 N -2.74 3.72 0.32 1.70 1.02 0.29 -4.49 119.74 119.56 3kb8 s LYS 174 Ca 0.64 2.00 0.04 0.00 0.02 0.00 0.00 55.97 58.67 3kb8 s LYS 174 Cb -0.27 -2.51 0.64 0.00 -0.52 0.00 0.00 37.83 35.16 3kb8 s LYS 174 CO 0.33 -0.65 1.88 -1.35 -0.92 0.00 0.00 175.35 174.64 3kb8 h PRO 175 N 2.17 0.88 0.00 -1.68 0.11 -1.95 -1.80 132.00 129.73 3kb8 h PRO 175 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3kb8 h PRO 175 Cb 1.26 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kb8 h PRO 175 CO 0.60 0.58 0.00 0.66 -0.21 0.00 0.00 178.00 179.63 3kb8 h SER 176 N 0.90 0.00 0.40 -2.05 4.64 -1.97 -3.08 113.55 112.39 3kb8 h SER 176 Ca 0.43 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.44 3kb8 h SER 176 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3kb8 h SER 176 CO -0.20 0.00 -1.42 0.58 -0.87 0.00 0.00 176.83 174.92 3kb8 h VAL 177 N 0.00 1.33 -2.11 0.95 2.07 -1.68 -3.43 116.25 113.39 3kb8 h VAL 177 Ca 0.00 -2.82 -0.65 0.00 0.82 0.00 0.00 66.70 64.04 3kb8 h VAL 177 Cb 0.13 2.98 -0.15 0.00 -1.52 0.00 0.00 31.29 32.73 3kb8 h VAL 177 CO 0.00 0.84 0.97 -0.72 0.02 0.00 0.00 177.57 178.68 3kb8 s TYR 178 N -2.62 2.86 -0.32 1.57 1.13 -1.17 -4.97 117.35 113.84 3kb8 s TYR 178 Ca -0.08 -1.06 -0.12 0.00 -1.41 0.00 0.00 57.07 54.40 3kb8 s TYR 178 Cb 0.05 -4.41 -0.02 0.00 -1.10 0.00 0.00 41.96 36.49 3kb8 s TYR 178 CO 0.91 -1.65 0.21 0.45 -2.51 0.00 0.00 175.55 172.96 3kb8 s SER 179 N 3.99 5.93 0.00 -0.18 0.15 -1.26 -5.09 113.70 117.24 3kb8 s SER 179 Ca 0.35 -0.38 0.24 0.00 0.70 0.00 0.00 55.95 56.86 3kb8 s SER 179 Cb -0.06 -2.10 0.19 0.00 -1.71 0.00 0.00 66.02 62.34 3kb8 s SER 179 CO -0.06 -0.19 1.25 0.59 1.20 0.00 0.00 173.24 176.03