#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1two n PRO 2 N 0.00 0.54 0.15 4.33 -0.04 -1.26 -4.65 135.00 134.07 1two n PRO 2 Ca 0.00 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.65 1two n PRO 2 Cb 0.00 0.00 0.78 0.00 -0.04 0.00 0.00 33.50 34.24 1two n PRO 2 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1two h GLU 3 N 0.00 0.00 -0.81 0.54 3.07 -1.89 0.31 114.58 115.81 1two h GLU 3 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1two h GLU 3 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 1two h GLU 3 CO 0.00 0.00 0.53 0.82 -1.40 0.00 0.00 179.01 178.96 1two h ILE 4 N 0.00 1.14 -0.00 3.13 1.08 -1.88 0.24 117.51 121.21 1two h ILE 4 Ca 0.14 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1two h ILE 4 Cb 0.87 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1two h ILE 4 CO -0.00 0.18 -0.02 0.80 -0.69 0.00 0.00 178.15 178.42 1two n MET 5 N -4.45 1.01 -3.89 2.37 1.56 0.11 -4.58 117.12 109.25 1two n MET 5 Ca 0.10 -0.25 -0.34 0.00 -0.27 0.00 0.00 57.70 56.94 1two n MET 5 Cb 0.10 -1.49 -0.13 0.00 2.15 0.00 0.00 33.22 33.85 1two n MET 5 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1two s LYS 6 N -2.16 2.12 -0.01 2.12 2.20 0.86 -5.01 119.74 119.86 1two s LYS 6 Ca 0.40 -1.55 0.03 0.00 -0.36 0.00 0.00 55.97 54.49 1two s LYS 6 Cb 0.21 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1two s LYS 6 CO 0.39 -0.82 -0.11 0.54 -0.36 0.00 0.00 175.35 174.99 1two s ASN 7 N 1.38 1.36 1.22 1.43 4.22 -1.26 -4.86 114.94 118.43 1two s ASN 7 Ca 0.02 -0.21 -0.14 0.00 -2.14 0.00 0.00 52.86 50.39 1two s ASN 7 Cb -0.21 -0.17 0.31 0.00 1.28 0.00 0.00 41.25 42.47 1two s ASN 7 CO -0.03 0.14 1.00 -0.22 -2.04 0.00 0.00 177.10 175.95 1two s LEU 8 N -0.23 0.45 0.00 3.54 1.98 -1.26 -4.74 118.68 118.42 1two s LEU 8 Ca 0.04 1.47 0.00 0.00 -2.89 0.00 0.00 54.13 52.75 1two s LEU 8 Cb -0.05 -3.28 0.00 0.00 0.66 0.00 0.00 46.19 43.52 1two s LEU 8 CO -0.00 -4.52 0.58 -1.20 -1.89 0.00 0.00 176.35 169.32 1two n SER 9 N -5.13 0.00 0.00 3.68 7.64 -1.26 -2.85 113.62 115.70 1two n SER 9 Ca 0.03 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1two n SER 9 Cb 0.54 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1two n SER 9 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1two n ASN 10 N -1.14 3.86 -0.50 6.43 4.13 -1.26 -3.99 115.26 122.80 1two n ASN 10 Ca 0.00 0.00 0.40 0.00 1.68 0.00 0.00 54.58 56.66 1two n ASN 10 Cb 0.00 0.05 0.63 0.00 -1.54 0.00 0.00 39.78 38.93 1two n ASN 10 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1two n ASN 11 N -2.38 0.09 0.00 6.41 2.85 -1.26 0.46 115.26 121.44 1two n ASN 11 Ca 0.00 1.01 -0.00 0.00 -0.11 0.00 0.00 54.58 55.48 1two n ASN 11 Cb 0.47 -0.50 -0.00 0.00 1.24 0.00 0.00 39.78 40.99 1two n ASN 11 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1two n PHE 12 N -4.01 0.00 -0.50 1.20 3.72 -1.26 -4.04 117.46 112.56 1two n PHE 12 Ca 0.36 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 58.17 1two n PHE 12 Cb 1.52 -0.01 0.70 0.00 -0.94 0.00 0.00 39.48 40.75 1two n PHE 12 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1two h GLY 13 N -0.02 0.88 0.00 1.37 0.00 -1.45 2.89 103.07 106.74 1two h GLY 13 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1two h GLY 13 CO 0.00 -0.27 -0.12 1.70 0.00 0.00 0.00 176.54 177.85 1two h LYS 14 N 0.06 0.00 -0.74 4.80 3.11 -0.16 -2.03 116.57 121.61 1two h LYS 14 Ca 0.83 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.71 1two h LYS 14 Cb 2.84 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 34.02 1two h LYS 14 CO -0.29 0.63 0.45 0.00 -2.81 0.00 0.00 179.45 177.43 1two h ALA 15 N -0.41 0.99 -0.53 5.00 0.00 0.40 1.70 119.26 126.41 1two h ALA 15 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1two h ALA 15 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1two h ALA 15 CO -0.02 0.20 0.14 0.52 0.00 0.00 0.00 179.25 180.09 1two h MET 16 N 0.85 0.85 -0.07 0.00 2.86 0.48 1.22 114.93 121.12 1two h MET 16 Ca 0.31 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1two h MET 16 Cb 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1two h MET 16 CO -0.15 0.80 -0.14 0.22 1.06 0.00 0.00 176.91 178.71 1two h ASP 17 N 0.74 0.25 -0.73 1.22 1.82 -0.57 -1.97 116.42 117.18 1two h ASP 17 Ca 0.17 -0.56 -0.06 0.00 -0.39 0.00 0.00 57.03 56.19 1two h ASP 17 Cb 0.33 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 1two h ASP 17 CO 0.00 0.76 0.21 1.56 -1.61 0.00 0.00 179.24 180.15 1two h GLN 18 N -0.26 1.15 -0.91 0.28 4.20 0.26 -2.16 115.11 117.67 1two h GLN 18 Ca 0.00 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.47 1two h GLN 18 Cb 0.72 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1two h GLN 18 CO 0.03 0.99 0.60 0.00 -0.67 0.00 0.00 178.83 179.79 1two n LYS 20 N -4.41 0.19 -0.00 0.00 4.81 -0.74 -1.21 118.16 116.80 1two n LYS 20 Ca 0.11 0.16 -0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1two n LYS 20 Cb 0.04 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.59 1two n LYS 20 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1two n ASP 21 N -1.27 0.11 -0.30 3.14 2.03 0.17 -3.17 116.55 117.26 1two n ASP 21 Ca 0.06 0.02 0.14 0.00 0.52 0.00 0.00 54.79 55.52 1two n ASP 21 Cb 0.09 -0.22 0.30 0.00 -0.72 0.00 0.00 41.12 40.57 1two n ASP 21 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1two h GLU 22 N -0.03 0.20 0.00 -0.67 4.11 0.10 0.55 114.58 118.84 1two h GLU 22 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1two h GLU 22 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1two h GLU 22 CO 0.00 0.13 -1.12 1.28 0.07 0.00 0.00 179.01 179.37 1two n LEU 23 N -5.23 0.77 -1.00 3.06 4.77 -0.35 -4.93 117.00 114.10 1two n LEU 23 Ca 0.22 -0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 1two n LEU 23 Cb 0.70 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1two n LEU 23 CO 0.06 0.18 -0.09 -0.24 -1.33 0.00 0.00 177.39 175.97 1two n SER 24 N -1.66 -3.47 -4.91 -1.43 2.88 0.19 -4.90 113.62 100.31 1two n SER 24 Ca 0.03 0.23 -0.27 0.00 -1.33 0.00 0.00 58.87 57.52 1two n SER 24 Cb 0.38 -2.95 0.06 0.00 -0.75 0.00 0.00 64.21 60.94 1two n SER 24 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1two s LEU 25 N -2.68 2.92 -0.13 2.46 -0.00 -1.24 -4.86 118.68 115.15 1two s LEU 25 Ca 0.00 0.71 -0.29 0.00 -0.00 0.00 0.00 54.13 54.54 1two s LEU 25 Cb 0.00 -3.42 -0.02 0.00 -0.00 0.00 0.00 46.19 42.75 1two s LEU 25 CO 0.00 -1.42 1.27 -2.16 -0.00 0.00 0.00 176.35 174.04 1two s PRO 26 N -5.23 4.26 0.00 1.48 0.04 -1.26 -4.17 135.00 130.12 1two s PRO 26 Ca 0.58 1.69 0.13 0.00 0.04 0.00 0.00 61.00 63.44 1two s PRO 26 Cb -0.11 -3.72 0.76 0.00 0.04 0.00 0.00 34.50 31.47 1two s PRO 26 CO 0.47 -0.65 1.22 -3.47 0.04 0.00 0.00 177.00 174.61 1two n ASP 27 N 6.30 0.00 0.09 6.66 2.03 -1.26 -1.97 116.55 128.39 1two n ASP 27 Ca 0.13 -0.33 -0.23 0.00 0.52 0.00 0.00 54.79 54.89 1two n ASP 27 Cb 0.45 -0.04 -0.15 0.00 -0.72 0.00 0.00 41.12 40.65 1two n ASP 27 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1two h SER 28 N 0.00 0.64 -0.34 1.67 4.64 -1.96 -0.68 113.55 117.51 1two h SER 28 Ca 0.00 -0.93 -0.07 0.00 -0.47 0.00 0.00 61.79 60.32 1two h SER 28 Cb 0.02 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1two h SER 28 CO 0.00 1.61 -0.03 -0.37 -0.87 0.00 0.00 176.83 177.17 1two h VAL 29 N -0.09 1.24 0.03 0.95 -1.51 -1.80 -1.27 116.25 113.80 1two h VAL 29 Ca -0.24 -1.01 -0.22 0.00 -1.23 0.00 0.00 66.70 64.01 1two h VAL 29 Cb 1.94 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1two h VAL 29 CO 0.20 0.35 -0.99 1.62 -1.23 0.00 0.00 177.57 177.51 1two h VAL 30 N 0.68 1.53 0.00 7.19 3.04 -1.64 -2.95 116.25 124.10 1two h VAL 30 Ca 0.13 -2.87 0.00 0.00 -1.01 0.00 0.00 66.70 62.95 1two h VAL 30 Cb 0.46 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 1two h VAL 30 CO 0.02 0.83 0.00 0.00 -1.01 0.00 0.00 177.57 177.42 1two h ALA 31 N 0.87 1.00 -0.00 3.17 0.00 -0.59 -1.73 119.26 121.99 1two h ALA 31 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1two h ALA 31 Cb 1.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1two h ALA 31 CO 0.15 0.00 -0.85 0.22 0.00 0.00 0.00 179.25 178.77 1two h ASP 32 N 0.00 0.22 -0.49 0.00 1.82 -1.06 -2.99 116.42 113.92 1two h ASP 32 Ca 0.00 -0.18 0.14 0.00 -0.39 0.00 0.00 57.03 56.61 1two h ASP 32 Cb 0.36 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 1two h ASP 32 CO 0.00 0.97 0.41 0.25 -1.61 0.00 0.00 179.24 179.26 1two h LEU 33 N 0.10 0.00 -0.79 2.28 5.85 -1.36 0.77 115.31 122.16 1two h LEU 33 Ca -0.04 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1two h LEU 33 Cb 1.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1two h LEU 33 CO 0.13 0.00 -0.40 0.22 -0.34 0.00 0.00 178.44 178.04 1two h TYR 34 N 0.00 0.00 0.00 1.25 5.03 -1.64 -3.35 116.97 118.27 1two h TYR 34 Ca 0.23 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1two h TYR 34 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.33 1two h TYR 34 CO 0.00 0.40 0.00 0.09 -1.32 0.00 0.00 178.16 177.33 1two n ASN 35 N -3.48 0.00 0.00 -2.11 3.02 0.27 -4.86 115.26 108.09 1two n ASN 35 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1two n ASN 35 Cb 0.55 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1two n ASN 35 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1two n PHE 36 N -1.30 0.00 -0.41 3.10 1.16 -1.10 -5.01 117.46 113.92 1two n PHE 36 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.53 1two n PHE 36 Cb 0.00 0.00 0.21 0.00 -1.61 0.00 0.00 39.48 38.08 1two n PHE 36 CO 0.00 0.00 0.00 -2.67 -1.87 0.00 0.00 176.76 172.22 1two n TRP 37 N 0.00 1.75 -0.33 2.97 4.27 -1.25 -4.43 117.44 120.41 1two n TRP 37 Ca 0.00 -0.93 0.17 0.00 -3.89 0.00 0.00 57.50 52.85 1two n TRP 37 Cb 0.00 -0.55 0.37 0.00 -1.36 0.00 0.00 31.31 29.77 1two n TRP 37 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1two h LYS 38 N 1.79 0.49 -0.37 -2.67 1.57 -1.87 1.46 116.57 116.98 1two h LYS 38 Ca 0.20 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.06 1two h LYS 38 Cb 1.88 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1two h LYS 38 CO 0.54 0.33 0.61 0.38 -0.57 0.00 0.00 179.45 180.73 1two h ASP 39 N 0.51 0.00 -2.45 0.86 2.03 -1.88 -3.26 116.42 112.22 1two h ASP 39 Ca 0.63 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 56.26 1two h ASP 39 Cb 1.21 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.54 1two h ASP 39 CO -0.50 0.00 0.74 -0.62 -1.03 0.00 0.00 179.24 177.83 1two s ASP 40 N -4.49 6.48 0.76 4.15 -1.08 0.50 -5.01 116.67 117.98 1two s ASP 40 Ca -0.03 -1.70 -0.05 0.00 -0.52 0.00 0.00 52.55 50.24 1two s ASP 40 Cb 0.12 -2.41 0.12 0.00 -1.46 0.00 0.00 42.92 39.30 1two s ASP 40 CO 0.40 -1.19 1.06 -0.31 0.52 0.00 0.00 175.17 175.65 1two s TYR 41 N 3.15 1.95 0.56 -5.34 2.02 -1.23 -4.83 117.35 113.64 1two s TYR 41 Ca 0.29 0.03 0.49 0.00 -0.37 0.00 0.00 57.07 57.51 1two s TYR 41 Cb -0.09 -3.29 1.68 0.00 -0.40 0.00 0.00 41.96 39.87 1two s TYR 41 CO -0.03 -1.81 1.55 0.28 -1.57 0.00 0.00 175.55 173.97 1two h VAL 42 N -0.76 0.01 -1.15 0.71 2.07 -1.91 0.50 116.25 115.71 1two h VAL 42 Ca -0.40 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.45 1two h VAL 42 Cb 1.27 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1two h VAL 42 CO 0.45 0.00 1.23 0.24 0.02 0.00 0.00 177.57 179.51 1two h MET 43 N 0.00 0.00 0.00 1.57 2.07 -1.97 -2.41 114.93 114.19 1two h MET 43 Ca 0.91 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 58.52 1two h MET 43 Cb 3.73 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 33.46 1two h MET 43 CO -0.01 0.00 -0.48 2.41 1.07 0.00 0.00 176.91 179.90 1two n THR 44 N -3.36 1.27 -3.75 2.22 -1.04 0.17 -4.99 114.28 104.81 1two n THR 44 Ca 0.26 0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 62.25 1two n THR 44 Cb 1.58 -1.86 -0.16 0.00 -1.82 0.00 0.00 70.33 68.07 1two n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1two s ASP 45 N -5.96 3.44 0.23 8.00 2.15 -0.91 -4.98 116.67 118.63 1two s ASP 45 Ca -0.11 -1.17 0.02 0.00 0.43 0.00 0.00 52.55 51.73 1two s ASP 45 Cb 0.02 -0.75 0.24 0.00 -0.30 0.00 0.00 42.92 42.13 1two s ASP 45 CO 0.16 -0.34 1.56 0.08 -0.17 0.00 0.00 175.17 176.47 1two h ARG 46 N 8.16 0.34 -0.84 4.34 -0.00 -1.83 -3.06 114.38 121.48 1two h ARG 46 Ca -0.16 -0.21 0.20 0.00 -0.00 0.00 0.00 59.98 59.81 1two h ARG 46 Cb 1.07 0.03 -0.12 0.00 -0.00 0.00 0.00 29.97 30.94 1two h ARG 46 CO 0.40 0.80 0.28 -0.07 -0.00 0.00 0.00 179.97 181.38 1two h LEU 47 N 0.26 0.14 -1.78 0.08 -0.00 -1.94 1.62 115.31 113.69 1two h LEU 47 Ca 0.00 0.16 0.08 0.00 -0.00 0.00 0.00 57.88 58.12 1two h LEU 47 Cb 1.06 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1two h LEU 47 CO 0.09 -0.05 0.30 0.00 -0.00 0.00 0.00 178.44 178.78 1two h ALA 48 N 1.70 2.07 0.01 1.53 0.00 -1.84 1.99 119.26 124.71 1two h ALA 48 Ca 0.51 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.17 1two h ALA 48 Cb 0.95 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1two h ALA 48 CO -0.56 -0.16 -1.18 0.78 0.00 0.00 0.00 179.25 178.14 1two h GLY 49 N 0.26 0.02 0.79 0.00 0.00 0.20 -2.48 103.07 101.85 1two h GLY 49 Ca 0.20 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.27 1two h GLY 49 CO -0.04 0.05 -0.87 0.00 0.00 0.00 0.00 176.54 175.68 1two h ALA 51 N 0.14 0.25 -1.00 0.00 0.00 0.30 0.22 119.26 119.16 1two h ALA 51 Ca -0.15 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1two h ALA 51 Cb 1.66 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1two h ALA 51 CO 0.16 -0.30 0.66 0.97 0.00 0.00 0.00 179.25 180.75 1two h ILE 52 N 0.24 1.25 -0.62 0.00 6.09 -1.53 -0.67 117.51 122.27 1two h ILE 52 Ca 0.08 -0.46 -0.03 0.00 -1.37 0.00 0.00 64.86 63.08 1two h ILE 52 Cb 0.00 -0.21 -0.03 0.00 0.47 0.00 0.00 36.82 37.05 1two h ILE 52 CO -0.04 0.25 0.29 0.78 -3.07 0.00 0.00 178.15 176.35 1two h ASN 53 N 1.35 0.82 0.52 2.19 -0.26 -0.73 0.30 115.58 119.77 1two h ASN 53 Ca 0.37 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1two h ASN 53 Cb -0.14 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 36.91 1two h ASN 53 CO -0.08 0.73 0.00 0.00 -1.06 0.00 0.00 177.43 177.02 1two h LEU 55 N 0.00 0.43 -0.18 0.00 7.12 0.54 1.79 115.31 125.01 1two h LEU 55 Ca 0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1two h LEU 55 Cb 0.26 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1two h LEU 55 CO 0.00 0.20 0.00 0.00 -0.13 0.00 0.00 178.44 178.51 1two n ALA 56 N -2.51 1.98 0.00 1.25 0.00 -0.76 -4.22 120.51 116.24 1two n ALA 56 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1two n ALA 56 Cb 0.61 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1two n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1two n THR 57 N -1.88 0.00 -3.69 0.00 5.66 0.61 -2.00 114.28 112.98 1two n THR 57 Ca 0.04 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.66 1two n THR 57 Cb 0.29 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.96 1two n THR 57 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1two s LYS 58 N -3.92 2.49 0.29 1.09 -0.14 -1.26 -4.92 119.74 113.37 1two s LYS 58 Ca 0.00 -1.44 0.25 0.00 -1.36 0.00 0.00 55.97 53.42 1two s LYS 58 Cb 0.00 -3.62 0.98 0.00 -1.68 0.00 0.00 37.83 33.50 1two s LYS 58 CO 0.00 -0.88 1.76 -0.07 -0.76 0.00 0.00 175.35 175.39 1two h LEU 59 N 8.27 0.00 -0.54 3.17 3.38 -1.73 -2.31 115.31 125.55 1two h LEU 59 Ca -0.21 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 1two h LEU 59 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1two h LEU 59 CO 0.69 0.00 -0.72 0.44 0.09 0.00 0.00 178.44 178.94 1two h ASP 60 N 0.00 0.00 0.27 -0.43 5.19 -1.87 1.61 116.42 121.19 1two h ASP 60 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 1two h ASP 60 Cb 0.48 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.99 1two h ASP 60 CO 0.00 0.72 -0.98 -0.37 -3.12 0.00 0.00 179.24 175.49 1two h VAL 61 N 0.00 1.37 0.08 -1.35 -1.51 -1.79 -3.20 116.25 109.85 1two h VAL 61 Ca -0.01 -2.42 -0.19 0.00 -1.23 0.00 0.00 66.70 62.85 1two h VAL 61 Cb 1.29 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 32.88 1two h VAL 61 CO 0.09 0.73 -0.93 -0.37 -1.23 0.00 0.00 177.57 175.86 1two h VAL 62 N 0.26 1.30 -3.63 7.19 -1.51 -1.44 -3.44 116.25 114.98 1two h VAL 62 Ca -0.09 -2.38 -0.61 0.00 -1.23 0.00 0.00 66.70 62.38 1two h VAL 62 Cb 1.62 2.90 -0.38 0.00 -2.13 0.00 0.00 31.29 33.30 1two h VAL 62 CO 0.18 0.62 -0.79 1.51 -1.23 0.00 0.00 177.57 177.86 1two s ASP 63 N -6.80 3.83 0.07 4.19 -4.77 0.55 -4.78 116.67 108.96 1two s ASP 63 Ca -0.20 -1.17 -0.15 0.00 -3.30 0.00 0.00 52.55 47.74 1two s ASP 63 Cb 0.02 -1.17 -0.21 0.00 -1.09 0.00 0.00 42.92 40.48 1two s ASP 63 CO 0.73 -0.24 1.21 1.55 0.70 0.00 0.00 175.17 179.13 1two h PRO 64 N 7.96 0.66 -0.14 2.11 0.13 -1.72 -3.26 132.00 137.74 1two h PRO 64 Ca -0.18 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1two h PRO 64 Cb 1.07 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1two h PRO 64 CO 0.41 1.24 0.00 -0.25 -0.23 0.00 0.00 178.00 179.17 1two n ASP 65 N -3.98 2.36 -0.01 1.44 8.00 -1.26 -4.95 116.55 118.15 1two n ASP 65 Ca -0.10 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1two n ASP 65 Cb 0.78 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1two n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1two n GLY 66 N 0.68 0.78 0.39 0.44 0.00 -1.24 -4.98 105.19 101.26 1two n GLY 66 Ca 0.09 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.29 1two n GLY 66 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1two h ASN 67 N 0.00 0.51 -1.36 1.61 -0.00 -1.86 -3.45 115.58 111.03 1two h ASN 67 Ca 0.00 0.07 0.08 0.00 -0.00 0.00 0.00 56.30 56.45 1two h ASN 67 Cb 0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.30 1two h ASN 67 CO 0.00 0.17 0.28 0.00 -0.00 0.00 0.00 177.43 177.88 1two n LEU 68 N -4.60 0.00 -3.55 0.34 -0.00 -1.26 -3.95 117.00 103.98 1two n LEU 68 Ca 0.22 -0.56 -0.16 0.00 -0.00 0.00 0.00 56.01 55.52 1two n LEU 68 Cb 0.72 1.15 -0.13 0.00 -0.00 0.00 0.00 43.42 45.17 1two n LEU 68 CO 0.27 -0.19 -0.17 -1.00 -0.00 0.00 0.00 177.39 176.30 1two s HIS 69 N -3.99 -0.36 0.25 1.47 3.76 -1.22 -4.72 115.29 110.48 1two s HIS 69 Ca 0.11 0.55 -0.23 0.00 -0.15 0.00 0.00 55.06 55.33 1two s HIS 69 Cb -0.01 -0.22 -0.15 0.00 1.11 0.00 0.00 32.58 33.31 1two s HIS 69 CO 0.02 -0.50 0.32 1.58 -0.85 0.00 0.00 174.74 175.31 1two n HIS 70 N 5.33 -0.99 0.00 1.40 -0.00 -1.26 0.19 115.22 119.89 1two n HIS 70 Ca -0.05 0.75 0.00 0.00 0.46 0.00 0.00 57.72 58.88 1two n HIS 70 Cb 0.50 -1.70 0.00 0.00 -0.12 0.00 0.00 29.99 28.67 1two n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1two n GLY 71 N 1.91 1.32 2.56 1.57 0.00 -1.26 -4.66 105.19 106.63 1two n GLY 71 Ca 0.14 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1two n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1two n ASN 72 N 2.56 2.47 -4.72 1.61 2.85 0.13 -4.90 115.26 115.26 1two n ASN 72 Ca 0.00 -3.12 -0.42 0.00 -0.11 0.00 0.00 54.58 50.93 1two n ASN 72 Cb 0.00 -0.68 -0.03 0.00 1.24 0.00 0.00 39.78 40.31 1two n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1two s ALA 73 N -1.61 3.74 1.23 5.20 0.00 -0.82 -3.44 121.76 126.06 1two s ALA 73 Ca 0.33 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.47 1two s ALA 73 Cb 0.07 -3.61 0.31 0.00 0.00 0.00 0.00 23.12 19.89 1two s ALA 73 CO -0.11 -0.75 1.00 0.21 0.00 0.00 0.00 175.76 176.11 1two s LYS 74 N 1.01 -1.47 0.00 0.00 2.47 -1.26 -4.73 119.74 115.76 1two s LYS 74 Ca 0.68 0.67 0.15 0.00 -1.56 0.00 0.00 55.97 55.91 1two s LYS 74 Cb -0.43 -1.50 0.86 0.00 -1.46 0.00 0.00 37.83 35.30 1two s LYS 74 CO 0.32 -4.04 1.37 -0.25 0.16 0.00 0.00 175.35 172.91 1two n ASP 75 N -5.12 0.00 -0.05 1.43 9.92 -1.26 -2.45 116.55 119.02 1two n ASP 75 Ca 0.04 -0.27 -0.21 0.00 -0.53 0.00 0.00 54.79 53.82 1two n ASP 75 Cb 0.55 -0.11 -0.13 0.00 -0.64 0.00 0.00 41.12 40.80 1two n ASP 75 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1two h PHE 76 N 0.00 0.22 0.73 1.24 -1.00 -1.88 -3.33 116.94 112.93 1two h PHE 76 Ca 0.00 -0.16 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 1two h PHE 76 Cb 0.05 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.61 1two h PHE 76 CO 0.00 1.57 -0.35 0.00 -1.61 0.00 0.00 178.31 177.91 1two h ALA 77 N -0.23 -0.98 0.00 2.45 0.00 -1.60 0.65 119.26 119.54 1two h ALA 77 Ca -0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1two h ALA 77 Cb 1.58 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1two h ALA 77 CO -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 179.25 178.17 1two n MET 78 N -5.46 1.01 0.07 0.00 0.00 -1.13 -2.92 117.12 108.70 1two n MET 78 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.46 1two n MET 78 Cb 0.40 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.47 1two n MET 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1two n LYS 79 N 1.66 0.00 0.00 3.17 3.00 -1.08 -4.55 118.16 120.36 1two n LYS 79 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.41 1two n LYS 79 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 35.03 35.83 1two n LYS 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1two n HIS 80 N -2.84 0.00 -2.43 5.64 1.44 0.23 -2.99 115.22 114.26 1two n HIS 80 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1two n HIS 80 Cb 0.00 -0.29 0.06 0.00 0.12 0.00 0.00 29.99 29.88 1two n HIS 80 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1two n GLY 81 N -0.25 1.49 2.98 -1.39 0.00 -1.15 -5.06 105.19 101.81 1two n GLY 81 Ca 0.06 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1two n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1two s ALA 82 N 0.03 1.04 0.32 4.61 0.00 -1.16 -4.90 121.76 121.70 1two s ALA 82 Ca 0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 1two s ALA 82 Cb 0.29 -0.50 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 1two s ALA 82 CO -0.08 0.08 1.22 -0.51 0.00 0.00 0.00 175.76 176.47 1two s ASP 83 N 0.69 6.93 0.48 0.00 1.01 -1.26 -4.63 116.67 119.89 1two s ASP 83 Ca -0.13 2.50 0.34 0.00 0.71 0.00 0.00 52.55 55.97 1two s ASP 83 Cb -0.15 -2.64 1.46 0.00 1.01 0.00 0.00 42.92 42.61 1two s ASP 83 CO 0.02 -0.41 1.69 -0.08 0.21 0.00 0.00 175.17 176.61 1two h GLU 84 N 3.46 0.10 0.07 8.23 4.81 -1.97 0.74 114.58 130.02 1two h GLU 84 Ca -0.48 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.57 1two h GLU 84 Cb 1.22 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.60 1two h GLU 84 CO 0.66 0.07 -0.73 0.00 -0.73 0.00 0.00 179.01 178.27 1two h THR 85 N 0.10 1.46 -0.21 0.32 1.03 -2.00 -3.21 112.91 110.40 1two h THR 85 Ca 0.73 -2.31 0.06 0.00 -0.01 0.00 0.00 66.41 64.88 1two h THR 85 Cb 2.51 2.88 -0.01 0.00 -1.07 0.00 0.00 68.15 72.47 1two h THR 85 CO -0.20 0.66 0.21 0.00 -0.01 0.00 0.00 175.52 176.19 1two h MET 86 N -0.21 0.00 -0.07 0.00 -0.00 0.07 1.87 114.93 116.59 1two h MET 86 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 1two h MET 86 Cb 1.49 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.09 1two h MET 86 CO 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 176.91 177.08 1two h ALA 87 N 1.77 0.09 0.05 -3.00 0.00 -1.08 -2.03 119.26 115.05 1two h ALA 87 Ca 0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1two h ALA 87 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1two h ALA 87 CO -0.00 -0.31 -1.06 0.37 0.00 0.00 0.00 179.25 178.25 1two h GLN 88 N -0.06 0.10 -0.78 0.00 -0.00 -1.24 -3.35 115.11 109.78 1two h GLN 88 Ca 0.02 -0.17 0.12 0.00 -0.00 0.00 0.00 58.65 58.61 1two h GLN 88 Cb 0.19 0.06 -0.13 0.00 0.00 0.00 0.00 27.48 27.61 1two h GLN 88 CO -0.00 1.08 -0.42 1.96 0.00 0.00 0.00 178.83 181.46 1two h GLN 89 N -0.70 -0.10 -0.77 1.69 1.08 0.27 0.60 115.11 117.19 1two h GLN 89 Ca -0.26 0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.13 1two h GLN 89 Cb 1.43 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.76 1two h GLN 89 CO -0.05 -0.07 0.04 -0.07 -0.95 0.00 0.00 178.83 177.72 1two h LEU 90 N -0.11 -0.29 -1.14 1.46 4.07 -1.53 2.62 115.31 120.39 1two h LEU 90 Ca 0.25 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1two h LEU 90 Cb 0.56 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1two h LEU 90 CO -0.82 -0.17 0.23 0.58 -1.08 0.00 0.00 178.44 177.18 1two h VAL 91 N 0.12 0.00 0.00 1.22 2.07 0.08 1.61 116.25 121.35 1two h VAL 91 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1two h VAL 91 Cb 0.76 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1two h VAL 91 CO -0.66 0.00 0.00 0.47 0.02 0.00 0.00 177.57 177.40 1two n ASP 92 N -2.20 0.00 -0.05 0.57 9.92 0.88 -2.87 116.55 122.80 1two n ASP 92 Ca -0.01 0.49 -0.12 0.00 -0.53 0.00 0.00 54.79 54.63 1two n ASP 92 Cb 0.26 -0.45 -0.06 0.00 -0.64 0.00 0.00 41.12 40.23 1two n ASP 92 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1two h ILE 93 N 0.00 1.25 -0.32 0.53 -2.65 -1.28 -2.05 117.51 113.00 1two h ILE 93 Ca 0.00 -0.84 0.09 0.00 1.03 0.00 0.00 64.86 65.14 1two h ILE 93 Cb 0.00 1.48 -0.01 0.00 -2.05 0.00 0.00 36.82 36.23 1two h ILE 93 CO 0.00 0.25 0.47 0.40 0.03 0.00 0.00 178.15 179.30 1two h ILE 94 N 0.05 0.24 -0.00 0.16 2.04 0.21 1.50 117.51 121.70 1two h ILE 94 Ca 0.05 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.73 1two h ILE 94 Cb 0.37 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1two h ILE 94 CO 0.01 0.00 -0.81 0.45 0.00 0.00 0.00 178.15 177.79 1two h HIS 95 N 0.00 0.14 0.00 1.37 3.86 -1.23 0.44 115.15 119.73 1two h HIS 95 Ca 0.15 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 1two h HIS 95 Cb 1.09 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1two h HIS 95 CO 0.00 0.87 -1.15 0.78 0.86 0.00 0.00 177.93 179.29 1two h GLY 96 N 2.09 0.00 0.00 2.45 0.00 0.19 -3.19 103.07 104.61 1two h GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1two h GLY 96 CO 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.38 1two h GLU 98 N -0.61 0.11 -0.02 0.00 4.81 -0.32 3.38 114.58 121.92 1two h GLU 98 Ca 0.00 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1two h GLU 98 Cb 0.28 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1two h GLU 98 CO 0.00 0.07 -0.72 1.57 -0.73 0.00 0.00 179.01 179.20 1two h LYS 99 N 0.11 0.11 -0.00 1.92 2.10 -1.67 -2.95 116.57 116.19 1two h LYS 99 Ca 0.71 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 1two h LYS 99 Cb 2.44 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.79 1two h LYS 99 CO -0.19 0.78 -0.69 0.45 -2.00 0.00 0.00 179.45 177.81 1two n SER 100 N -3.74 0.96 -3.95 7.07 2.88 0.91 -4.55 113.62 113.20 1two n SER 100 Ca -0.02 -0.80 -0.30 0.00 -1.33 0.00 0.00 58.87 56.42 1two n SER 100 Cb 0.70 0.59 -0.10 0.00 -0.75 0.00 0.00 64.21 64.64 1two n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1two n ALA 101 N -1.22 3.53 -1.53 -1.46 0.00 0.92 -5.04 120.51 115.71 1two n ALA 101 Ca 0.06 -4.56 -0.29 0.00 0.00 0.00 0.00 53.44 48.65 1two n ALA 101 Cb 0.35 -1.21 0.17 0.00 0.00 0.00 0.00 19.45 18.76 1two n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1two s PRO 102 N -1.47 0.57 0.00 0.00 0.04 -1.25 -4.65 135.00 128.23 1two s PRO 102 Ca 0.26 0.08 -0.01 0.00 0.04 0.00 0.00 61.00 61.36 1two s PRO 102 Cb -0.05 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1two s PRO 102 CO -0.16 -2.54 1.94 -0.35 0.04 0.00 0.00 177.00 175.93 1two n PRO 103 N -3.96 0.99 -1.85 0.56 -0.04 -1.26 -4.40 135.00 125.04 1two n PRO 103 Ca 0.10 -0.24 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 1two n PRO 103 Cb 0.59 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.73 1two n PRO 103 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1two s ASN 104 N 2.08 5.14 0.58 3.54 3.84 -1.26 -4.84 114.94 124.02 1two s ASN 104 Ca 0.16 2.63 0.29 0.00 0.21 0.00 0.00 52.86 56.15 1two s ASN 104 Cb 0.08 -2.62 1.50 0.00 -0.55 0.00 0.00 41.25 39.66 1two s ASN 104 CO 0.00 -1.65 1.93 -2.24 -2.79 0.00 0.00 177.10 172.36 1two h ASP 105 N 1.16 0.00 -0.18 -4.21 2.03 -2.05 0.54 116.42 113.71 1two h ASP 105 Ca -0.51 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.70 1two h ASP 105 Cb 1.31 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.75 1two h ASP 105 CO 0.56 0.00 0.11 0.47 -1.03 0.00 0.00 179.24 179.35 1two n ASP 106 N -3.77 3.09 -0.69 4.15 9.92 -1.26 -4.42 116.55 123.57 1two n ASP 106 Ca 0.08 -2.28 0.53 0.00 -0.53 0.00 0.00 54.79 52.58 1two n ASP 106 Cb 0.62 -0.56 0.81 0.00 -0.64 0.00 0.00 41.12 41.35 1two n ASP 106 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1two h LYS 107 N 0.19 0.00 -0.57 -1.24 2.10 -0.22 2.11 116.57 118.94 1two h LYS 107 Ca 0.11 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.87 1two h LYS 107 Cb 1.32 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.56 1two h LYS 107 CO 0.19 0.00 0.10 0.00 -2.00 0.00 0.00 179.45 177.74 1two n MET 109 N -5.15 0.96 0.00 0.00 0.00 0.66 -4.02 117.12 109.58 1two n MET 109 Ca 0.08 -0.44 0.00 0.00 -0.00 0.00 0.00 57.70 57.34 1two n MET 109 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 33.22 32.11 1two n MET 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1two n LYS 110 N -0.80 0.00 -0.32 2.12 3.00 0.18 -4.00 118.16 118.33 1two n LYS 110 Ca 0.06 0.01 0.20 0.00 -0.00 0.00 0.00 58.31 58.57 1two n LYS 110 Cb 0.36 -0.26 0.39 0.00 0.00 0.00 0.00 35.03 35.53 1two n LYS 110 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1two h THR 111 N 0.00 0.19 -0.83 3.15 2.02 -0.82 0.86 112.91 117.49 1two h THR 111 Ca 0.00 -0.05 0.21 0.00 0.77 0.00 0.00 66.41 67.33 1two h THR 111 Cb 0.00 0.02 -0.14 0.00 -1.74 0.00 0.00 68.15 66.29 1two h THR 111 CO 0.00 0.03 0.14 -0.29 0.37 0.00 0.00 175.52 175.77 1two h ILE 112 N 0.16 0.33 -0.87 3.11 -0.00 -1.64 0.45 117.51 119.05 1two h ILE 112 Ca 0.66 -0.06 0.17 0.00 -0.00 0.00 0.00 64.86 65.63 1two h ILE 112 Cb 1.50 0.14 -0.16 0.00 -0.00 0.00 0.00 36.82 38.30 1two h ILE 112 CO -0.72 0.03 -0.25 -0.78 -0.00 0.00 0.00 178.15 176.43 1two h ASP 113 N 0.17 -0.94 0.31 2.19 3.58 0.64 1.84 116.42 124.21 1two h ASP 113 Ca 0.49 0.27 -0.02 0.00 0.42 0.00 0.00 57.03 58.19 1two h ASP 113 Cb 0.94 0.58 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1two h ASP 113 CO -0.66 -0.29 -0.15 0.58 -2.88 0.00 0.00 179.24 175.84 1two h VAL 114 N -0.02 0.25 -0.37 2.25 2.07 -0.35 1.43 116.25 121.51 1two h VAL 114 Ca 0.39 -0.78 0.11 0.00 0.82 0.00 0.00 66.70 67.24 1two h VAL 114 Cb 0.63 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1two h VAL 114 CO -0.89 0.06 0.78 0.00 0.02 0.00 0.00 177.57 177.54 1two h ALA 115 N -0.89 2.12 0.00 1.67 0.00 0.44 0.73 119.26 123.33 1two h ALA 115 Ca -0.04 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.50 1two h ALA 115 Cb 0.42 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1two h ALA 115 CO 0.07 -0.97 -2.35 -0.12 0.00 0.00 0.00 179.25 175.89 1two n MET 116 N -3.05 0.74 -0.26 0.00 0.00 0.62 -4.05 117.12 111.11 1two n MET 116 Ca 0.07 0.08 0.07 0.00 -0.00 0.00 0.00 57.70 57.92 1two n MET 116 Cb 0.91 -1.49 0.20 0.00 0.00 0.00 0.00 33.22 32.85 1two n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1two h PHE 118 N 0.22 -0.13 -0.03 0.00 3.57 -1.52 -2.56 116.94 116.50 1two h PHE 118 Ca 0.45 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 1two h PHE 118 Cb 0.82 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1two h PHE 118 CO -0.29 0.09 -0.13 0.87 -2.23 0.00 0.00 178.31 176.62 1two h LYS 119 N -0.33 0.04 0.00 1.11 1.57 -1.10 -0.04 116.57 117.81 1two h LYS 119 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1two h LYS 119 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1two h LYS 119 CO 0.02 0.17 -0.04 1.57 -0.57 0.00 0.00 179.45 180.60 1two h LYS 120 N 0.04 0.00 -0.78 3.15 2.10 0.41 -1.14 116.57 120.35 1two h LYS 120 Ca 0.01 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.74 1two h LYS 120 Cb 0.25 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.53 1two h LYS 120 CO 0.02 0.04 0.51 0.93 -2.00 0.00 0.00 179.45 178.95 1two h GLU 121 N 0.00 0.73 -0.44 0.07 5.08 -0.71 0.82 114.58 120.14 1two h GLU 121 Ca -0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1two h GLU 121 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1two h GLU 121 CO 0.01 0.49 0.01 0.82 -1.00 0.00 0.00 179.01 179.33 1two h ILE 122 N 0.76 1.23 -0.18 3.13 1.08 -1.33 -1.85 117.51 120.34 1two h ILE 122 Ca 0.35 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.95 1two h ILE 122 Cb 0.38 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1two h ILE 122 CO -0.13 0.33 0.73 1.12 -0.69 0.00 0.00 178.15 179.50 1two h HIS 123 N 0.67 0.00 -0.85 1.37 2.07 -0.88 3.12 115.15 120.66 1two h HIS 123 Ca 0.14 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 57.25 1two h HIS 123 Cb 0.40 0.00 -0.25 0.00 2.57 0.00 0.00 27.41 30.14 1two h HIS 123 CO 0.02 0.00 0.52 0.36 -3.07 0.00 0.00 177.93 175.76 1two n LYS 124 N -2.87 2.40 0.00 5.12 2.85 -0.70 -4.61 118.16 120.35 1two n LYS 124 Ca 0.03 -2.71 0.00 0.00 -1.05 0.00 0.00 58.31 54.58 1two n LYS 124 Cb 0.80 -2.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 1two n LYS 124 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1two n LEU 125 N -0.80 0.00 -0.08 -5.58 -0.00 1.04 -4.62 117.00 106.96 1two n LEU 125 Ca 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.43 1two n LEU 125 Cb 1.50 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.79 1two n LEU 125 CO 0.52 0.00 -1.06 -3.20 -0.00 0.00 0.00 177.39 173.65 1two n ASN 126 N 0.00 0.81 -4.62 1.45 5.15 -1.26 -4.93 115.26 111.85 1two n ASN 126 Ca 0.00 -0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.63 1two n ASN 126 Cb 0.00 0.91 -0.10 0.00 -0.53 0.00 0.00 39.78 40.06 1two n ASN 126 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1two s TRP 127 N -2.41 3.12 -0.52 1.20 1.48 -1.26 -5.07 118.94 115.48 1two s TRP 127 Ca -0.08 0.05 0.04 0.00 -1.06 0.00 0.00 56.10 55.04 1two s TRP 127 Cb 0.05 -1.85 0.13 0.00 -1.16 0.00 0.00 33.47 30.64 1two s TRP 127 CO 0.70 0.30 0.27 0.14 -4.06 0.00 0.00 176.95 174.30 1two s VAL 128 N -0.44 2.43 0.00 -0.66 -7.23 -1.26 -4.35 120.40 108.89 1two s VAL 128 Ca 0.08 -3.27 -0.04 0.00 -1.81 0.00 0.00 61.98 56.93 1two s VAL 128 Cb -0.12 -2.69 -0.19 0.00 0.56 0.00 0.00 36.38 33.94 1two s VAL 128 CO 0.02 -0.83 2.76 -0.81 -0.31 0.00 0.00 175.10 175.94 1two n PRO 129 N 3.10 1.45 -0.29 4.82 -0.04 -1.26 -4.51 135.00 138.27 1two n PRO 129 Ca 0.06 -0.71 0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1two n PRO 129 Cb 0.33 -1.83 0.74 0.00 -0.04 0.00 0.00 33.50 32.69 1two n PRO 129 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1two h ASN 130 N 3.66 0.00 -3.57 3.54 -1.24 -1.97 -3.24 115.58 112.77 1two h ASN 130 Ca 0.13 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 56.51 1two h ASN 130 Cb 1.11 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 39.77 1two h ASN 130 CO 0.28 0.00 -0.75 -0.04 -1.29 0.00 0.00 177.43 175.64 1two s MET 131 N -4.88 1.38 -0.34 6.67 -1.94 -1.26 -5.05 119.30 113.88 1two s MET 131 Ca -0.05 -1.49 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1two s MET 131 Cb 0.22 -2.78 0.11 0.00 2.01 0.00 0.00 34.83 34.39 1two s MET 131 CO 0.77 -0.86 0.12 0.34 -0.01 0.00 0.00 175.02 175.37 1two s ASP 132 N 1.18 4.03 -0.21 3.03 2.15 -1.23 -3.86 116.67 121.76 1two s ASP 132 Ca 0.06 -1.88 -0.28 0.00 0.43 0.00 0.00 52.55 50.88 1two s ASP 132 Cb -0.19 -0.97 -0.05 0.00 -0.30 0.00 0.00 42.92 41.42 1two s ASP 132 CO -0.12 -0.38 2.05 -1.48 -0.17 0.00 0.00 175.17 175.07 1two s LEU 133 N 1.31 3.61 -0.00 -1.34 -0.00 -1.26 -4.75 118.68 116.24 1two s LEU 133 Ca 0.11 1.83 0.04 0.00 -0.00 0.00 0.00 54.13 56.12 1two s LEU 133 Cb -0.19 -3.52 -0.05 0.00 -0.00 0.00 0.00 46.19 42.44 1two s LEU 133 CO -0.18 -1.74 0.16 1.33 -0.00 0.00 0.00 176.35 175.91 1two n VAL 134 N 7.32 0.00 -0.01 1.48 0.24 -1.26 -4.55 118.33 121.55 1two n VAL 134 Ca 0.26 -0.36 0.07 0.00 -2.04 0.00 0.00 64.34 62.28 1two n VAL 134 Cb 0.45 0.90 -0.12 0.00 -1.47 0.00 0.00 33.84 33.61 1two n VAL 134 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1two n ILE 135 N -1.18 0.02 -1.84 1.34 -0.00 -1.26 -5.00 119.36 111.43 1two n ILE 135 Ca 0.01 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.41 1two n ILE 135 Cb 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 1two n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1two n GLY 136 N 1.66 0.68 3.74 3.28 0.00 -1.26 -5.07 105.19 108.22 1two n GLY 136 Ca -0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1two n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1two s GLU 137 N -3.78 2.25 -0.60 1.61 2.02 -1.26 -5.06 118.70 113.88 1two s GLU 137 Ca 0.00 -1.80 -0.27 0.00 0.02 0.00 0.00 54.97 52.92 1two s GLU 137 Cb 0.00 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.22 1two s GLU 137 CO 0.00 -0.10 1.48 0.14 0.02 0.00 0.00 175.26 176.80 1two s VAL 138 N -2.58 3.69 0.00 2.63 -7.23 -1.26 -3.94 120.40 111.71 1two s VAL 138 Ca 0.41 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 1two s VAL 138 Cb 0.03 -4.42 0.00 0.00 0.56 0.00 0.00 36.38 32.55 1two s VAL 138 CO 0.23 -1.23 0.00 -0.11 -0.31 0.00 0.00 175.10 173.67 1two n LEU 139 N 10.11 0.00 -4.75 1.32 0.00 -1.26 -5.14 117.00 117.27 1two n LEU 139 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.90 1two n LEU 139 Cb 0.50 0.03 -0.06 0.00 0.00 0.00 0.00 43.42 43.89 1two n LEU 139 CO 0.71 -0.03 -0.18 0.00 0.00 0.00 0.00 177.39 177.89 1two s ALA 140 N -1.25 3.54 -0.83 1.96 0.00 -1.25 -4.93 121.76 118.99 1two s ALA 140 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 1two s ALA 140 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1two s ALA 140 CO 0.00 0.03 1.87 -2.00 0.00 0.00 0.00 175.76 175.66 1two s GLU 141 N -3.87 2.67 0.00 0.00 -6.30 -1.25 -4.68 118.70 105.28 1two s GLU 141 Ca 0.38 -0.13 0.28 0.00 -2.50 0.00 0.00 54.97 53.01 1two s GLU 141 Cb -0.03 -4.89 1.15 0.00 0.00 0.00 0.00 34.13 30.36 1two s GLU 141 CO 0.23 -3.09 1.80 1.55 0.02 0.00 0.00 175.26 175.78