#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 0.48 0.15 1.43 -0.04 -1.26 -4.67 135.00 131.09 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 -0.93 0.54 4.39 -1.93 0.22 114.58 116.87 1two h GLU 3 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1two h GLU 3 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1two h GLU 3 CO 0.00 0.00 0.61 0.82 -1.16 0.00 0.00 179.01 179.28 1two h ILE 4 N 0.00 1.11 0.00 3.13 1.08 -1.88 0.40 117.51 121.35 1two h ILE 4 Ca 0.14 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1two h ILE 4 Cb 0.83 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1two h ILE 4 CO -0.00 0.20 0.00 0.80 -0.69 0.00 0.00 178.15 178.46 1two n MET 5 N -4.47 0.51 -3.92 2.37 1.56 0.77 -4.39 117.12 109.54 1two n MET 5 Ca 0.13 0.04 -0.30 0.00 -0.27 0.00 0.00 57.70 57.30 1two n MET 5 Cb 0.16 -1.50 -0.15 0.00 2.15 0.00 0.00 33.22 33.87 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 -2.27 1.45 -0.03 2.12 2.47 0.14 -5.03 119.74 118.59 1two s LYS 6 Ca 0.27 -1.17 0.07 0.00 -1.56 0.00 0.00 55.97 53.58 1two s LYS 6 Cb 0.15 -2.61 -0.02 0.00 -1.46 0.00 0.00 37.83 33.89 1two s LYS 6 CO 0.29 -0.73 -0.24 0.54 0.16 0.00 0.00 175.35 175.37 1two s ASN 7 N 1.34 3.22 0.66 1.43 4.22 -1.26 -4.86 114.94 119.69 1two s ASN 7 Ca -0.00 -0.43 0.00 0.00 -2.14 0.00 0.00 52.86 50.29 1two s ASN 7 Cb -0.19 -0.52 0.00 0.00 1.28 0.00 0.00 41.25 41.82 1two s ASN 7 CO -0.10 0.31 0.00 0.00 -2.04 0.00 0.00 177.10 175.27 1two n LEU 8 N 2.52 0.00 0.00 3.54 -0.00 -1.26 -4.95 117.00 116.85 1two n LEU 8 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1two n LEU 8 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1two n LEU 8 CO 0.24 -0.75 0.00 -1.20 -0.00 0.00 0.00 177.39 175.67 1two n SER 9 N -1.97 0.00 0.00 1.45 7.64 -1.26 -4.43 113.62 115.05 1two n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1two n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 3.64 -0.23 6.43 3.02 -1.26 -4.29 115.26 122.58 1two n ASN 10 Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.75 1two n ASN 10 Cb 0.00 0.24 0.33 0.00 -0.61 0.00 0.00 39.78 39.75 1two n ASN 10 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1two n ASN 11 N -1.91 0.11 -0.01 6.41 5.15 -1.26 0.14 115.26 123.88 1two n ASN 11 Ca 0.00 0.69 -0.02 0.00 -0.60 0.00 0.00 54.58 54.65 1two n ASN 11 Cb 0.39 -0.34 -0.01 0.00 -0.53 0.00 0.00 39.78 39.30 1two n ASN 11 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1two n PHE 12 N -3.66 0.00 -0.36 1.20 -0.00 -1.26 -3.98 117.46 109.40 1two n PHE 12 Ca 0.20 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.93 1two n PHE 12 Cb 0.77 -0.10 0.53 0.00 -0.00 0.00 0.00 39.48 40.68 1two n PHE 12 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1two h GLY 13 N -0.20 1.87 0.31 7.13 0.00 -1.61 2.20 103.07 112.77 1two h GLY 13 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1two h GLY 13 CO 0.00 -0.49 -0.07 1.70 0.00 0.00 0.00 176.54 177.68 1two h LYS 14 N 0.23 -0.20 -0.75 4.80 3.11 0.97 0.06 116.57 124.79 1two h LYS 14 Ca 0.76 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.72 1two h LYS 14 Cb 1.94 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 33.16 1two h LYS 14 CO -0.56 0.22 0.49 0.00 -2.81 0.00 0.00 179.45 176.79 1two h ALA 15 N -0.39 1.85 -0.04 5.00 0.00 -0.45 1.52 119.26 126.75 1two h ALA 15 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1two h ALA 15 Cb 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1two h ALA 15 CO 0.03 -0.01 -0.04 1.98 0.00 0.00 0.00 179.25 181.21 1two h MET 16 N 0.63 0.10 -0.47 0.00 4.05 0.35 0.80 114.93 120.38 1two h MET 16 Ca 0.35 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.60 1two h MET 16 Cb 0.51 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1two h MET 16 CO -0.13 0.56 -0.16 0.22 0.23 0.00 0.00 176.91 177.64 1two h ASP 17 N -0.36 0.92 -0.24 1.39 1.82 -0.05 -0.04 116.42 119.86 1two h ASP 17 Ca 0.01 -0.31 -0.15 0.00 -0.39 0.00 0.00 57.03 56.19 1two h ASP 17 Cb 0.54 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1two h ASP 17 CO 0.01 1.06 -0.42 1.56 -1.61 0.00 0.00 179.24 179.84 1two h GLN 18 N 0.80 0.71 -0.69 0.28 4.20 0.21 -2.98 115.11 117.65 1two h GLN 18 Ca 0.12 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1two h GLN 18 Cb 0.70 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1two h GLN 18 CO 0.05 1.06 0.34 0.00 -0.67 0.00 0.00 178.83 179.62 1two n LYS 20 N -4.34 0.16 -0.00 0.00 4.81 -0.04 -0.88 118.16 117.87 1two n LYS 20 Ca 0.07 0.18 -0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1two n LYS 20 Cb 0.12 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 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 -1.28 0.08 -0.29 3.14 2.03 0.93 -3.23 116.55 117.93 1two n ASP 21 Ca 0.05 0.01 0.12 0.00 0.52 0.00 0.00 54.79 55.49 1two n ASP 21 Cb 0.09 -0.21 0.28 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.02 0.32 0.00 -0.67 4.11 0.50 0.33 114.58 119.15 1two h GLU 22 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1two h GLU 22 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1two h GLU 22 CO 0.00 0.21 -1.09 1.28 0.07 0.00 0.00 179.01 179.49 1two n LEU 23 N -5.11 0.81 -1.03 3.06 4.77 -0.05 -4.93 117.00 114.52 1two n LEU 23 Ca 0.21 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.73 1two n LEU 23 Cb 0.63 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1two n LEU 23 CO 0.11 0.20 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.08 1two n SER 24 N -1.62 -2.97 -4.91 -1.43 7.64 0.12 -4.89 113.62 105.54 1two n SER 24 Ca 0.03 0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.85 1two n SER 24 Cb 0.37 -2.65 0.07 0.00 -1.01 0.00 0.00 64.21 60.98 1two n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1two s LEU 25 N -2.70 2.79 -0.18 -3.43 -0.00 -1.22 -4.86 118.68 109.08 1two s LEU 25 Ca 0.00 0.69 -0.29 0.00 -0.00 0.00 0.00 54.13 54.52 1two s LEU 25 Cb 0.00 -3.33 -0.01 0.00 -0.00 0.00 0.00 46.19 42.85 1two s LEU 25 CO 0.00 -1.59 1.28 -2.16 -0.00 0.00 0.00 176.35 173.88 1two s PRO 26 N -5.33 4.19 0.00 1.48 0.04 -1.26 -4.17 135.00 129.95 1two s PRO 26 Ca 0.60 1.63 0.11 0.00 0.04 0.00 0.00 61.00 63.38 1two s PRO 26 Cb -0.11 -3.79 0.64 0.00 0.04 0.00 0.00 34.50 31.28 1two s PRO 26 CO 0.47 -0.76 1.14 -0.40 0.04 0.00 0.00 177.00 177.49 1two n ASP 27 N 6.75 0.00 0.09 6.66 5.75 -1.26 -1.85 116.55 132.69 1two n ASP 27 Ca 0.14 -0.22 -0.22 0.00 -0.01 0.00 0.00 54.79 54.48 1two n ASP 27 Cb 0.45 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.31 1two n ASP 27 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1two h SER 28 N 0.00 0.62 -0.38 -1.12 4.64 -1.96 -0.40 113.55 114.96 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 0.03 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1two h SER 28 CO 0.00 1.59 -0.02 -0.37 -0.87 0.00 0.00 176.83 177.16 1two h VAL 29 N -0.12 1.24 0.03 0.95 -1.51 -1.77 -0.43 116.25 114.65 1two h VAL 29 Ca -0.23 -1.02 -0.22 0.00 -1.23 0.00 0.00 66.70 64.01 1two h VAL 29 Cb 1.91 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 1two h VAL 29 CO 0.19 0.36 -0.99 1.62 -1.23 0.00 0.00 177.57 177.51 1two h VAL 30 N 0.72 1.53 0.00 7.19 3.04 -1.63 -2.97 116.25 124.12 1two h VAL 30 Ca 0.14 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 62.98 1two h VAL 30 Cb 0.47 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 0.00 177.57 177.41 1two h ALA 31 N 0.86 1.00 -0.01 3.17 0.00 -0.56 -2.02 119.26 121.71 1two h ALA 31 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1two h ALA 31 Cb 1.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1two h ALA 31 CO 0.15 0.00 -0.76 0.22 0.00 0.00 0.00 179.25 178.86 1two h ASP 32 N 0.00 0.10 -0.98 0.00 3.58 -0.92 -3.06 116.42 115.15 1two h ASP 32 Ca 0.00 -0.08 0.19 0.00 0.42 0.00 0.00 57.03 57.56 1two h ASP 32 Cb 0.45 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.37 1two h ASP 32 CO 0.00 0.82 0.61 0.25 -2.88 0.00 0.00 179.24 178.04 1two h LEU 33 N 0.05 0.71 -0.98 2.28 5.85 -1.40 0.91 115.31 122.73 1two h LEU 33 Ca -0.02 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1two h LEU 33 Cb 1.33 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1two h LEU 33 CO 0.11 0.27 -0.10 0.22 -0.34 0.00 0.00 178.44 178.60 1two h TYR 34 N 0.70 0.00 0.00 1.25 3.20 -1.66 -3.33 116.97 117.13 1two h TYR 34 Ca 0.54 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.41 1two h TYR 34 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1two h TYR 34 CO -0.00 0.10 0.00 -1.71 -1.64 0.00 0.00 178.16 174.90 1two n ASN 35 N -3.19 0.00 0.00 -2.11 5.15 0.31 -4.96 115.26 110.46 1two n ASN 35 Ca 0.01 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 1two n ASN 35 Cb 0.41 -0.33 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1two n ASN 35 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1two n PHE 36 N -1.50 0.00 -0.54 1.20 3.72 -0.87 -5.01 117.46 114.46 1two n PHE 36 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1two n PHE 36 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 1two n PHE 36 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 1two n TRP 37 N 0.00 1.95 -0.25 1.38 4.27 -1.23 -4.49 117.44 119.07 1two n TRP 37 Ca 0.00 -1.06 0.04 0.00 -3.89 0.00 0.00 57.50 52.60 1two n TRP 37 Cb 0.00 -0.60 0.15 0.00 -1.36 0.00 0.00 31.31 29.49 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 1.76 0.11 -0.52 -2.67 6.56 -1.86 1.73 116.57 121.69 1two h LYS 38 Ca 0.26 -0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.99 1two h LYS 38 Cb 2.03 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 33.65 1two h LYS 38 CO 0.61 0.07 0.68 0.22 -2.06 0.00 0.00 179.45 178.98 1two h ASP 39 N 0.11 0.00 -1.56 0.86 3.58 -1.87 -3.27 116.42 114.27 1two h ASP 39 Ca 0.40 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 57.22 1two h ASP 39 Cb 0.69 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.61 1two h ASP 39 CO -0.64 0.00 1.27 -0.62 -2.88 0.00 0.00 179.24 176.37 1two s ASP 40 N -4.53 6.53 0.73 2.28 -1.08 0.59 -4.98 116.67 116.20 1two s ASP 40 Ca -0.03 -1.62 -0.04 0.00 -0.52 0.00 0.00 52.55 50.33 1two s ASP 40 Cb 0.13 -2.51 0.10 0.00 -1.46 0.00 0.00 42.92 39.19 1two s ASP 40 CO 0.46 -1.37 1.01 -0.47 0.52 0.00 0.00 175.17 175.32 1two s TYR 41 N 4.25 2.15 0.50 -5.34 5.04 -1.23 -4.81 117.35 117.91 1two s TYR 41 Ca 0.41 0.05 0.45 0.00 -2.44 0.00 0.00 57.07 55.54 1two s TYR 41 Cb -0.02 -3.18 1.59 0.00 0.35 0.00 0.00 41.96 40.70 1two s TYR 41 CO -0.09 -1.64 1.44 0.28 -1.34 0.00 0.00 175.55 174.21 1two n VAL 42 N -2.92 -0.02 -0.04 3.14 0.31 -1.24 0.11 118.33 117.66 1two n VAL 42 Ca 0.12 1.41 0.21 0.00 -0.01 0.00 0.00 64.34 66.07 1two n VAL 42 Cb 0.60 -2.34 0.41 0.00 -0.91 0.00 0.00 33.84 31.60 1two n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1two h MET 43 N 0.00 0.00 0.00 5.55 -0.00 -1.96 -2.41 114.93 116.11 1two h MET 43 Ca 0.87 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 60.53 1two h MET 43 Cb 3.42 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 35.02 1two h MET 43 CO -0.05 0.00 -0.62 2.41 -0.00 0.00 0.00 176.91 178.65 1two n THR 44 N -3.15 1.18 -3.89 -0.10 -1.04 0.30 -5.01 114.28 102.57 1two n THR 44 Ca 0.16 0.22 -0.27 0.00 -2.04 0.00 0.00 64.05 62.11 1two n THR 44 Cb 1.26 -1.83 -0.17 0.00 -1.82 0.00 0.00 70.33 67.77 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 2.51 0.05 8.00 2.15 -0.91 -5.00 116.67 117.50 1two s ASP 45 Ca -0.12 -0.49 -0.15 0.00 0.43 0.00 0.00 52.55 52.22 1two s ASP 45 Cb 0.02 -0.86 -0.31 0.00 -0.30 0.00 0.00 42.92 41.47 1two s ASP 45 CO 0.16 -0.16 1.07 -0.09 -0.17 0.00 0.00 175.17 175.98 1two h ARG 46 N 8.15 0.60 -0.90 4.34 2.43 -1.87 -3.27 114.38 123.87 1two h ARG 46 Ca -0.26 -0.87 0.24 0.00 -0.81 0.00 0.00 59.98 58.27 1two h ARG 46 Cb 1.12 0.30 -0.13 0.00 -0.42 0.00 0.00 29.97 30.84 1two h ARG 46 CO 0.40 1.41 0.35 -0.07 -1.51 0.00 0.00 179.97 180.54 1two h LEU 47 N 0.24 0.22 -1.74 3.80 -0.00 -1.94 1.79 115.31 117.66 1two h LEU 47 Ca -0.21 0.17 0.16 0.00 -0.00 0.00 0.00 57.88 58.00 1two h LEU 47 Cb 2.01 0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 42.82 1two h LEU 47 CO 0.25 -0.08 0.47 0.00 -0.00 0.00 0.00 178.44 179.09 1two h ALA 48 N 1.75 2.29 0.02 1.53 0.00 -1.88 2.07 119.26 125.04 1two h ALA 48 Ca 0.58 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.26 1two h ALA 48 Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1two h ALA 48 CO -0.59 -0.47 -1.02 0.78 0.00 0.00 0.00 179.25 177.95 1two h GLY 49 N 0.25 0.06 0.50 0.00 0.00 0.25 -2.51 103.07 101.63 1two h GLY 49 Ca 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1two h GLY 49 CO -0.07 0.14 -0.59 0.00 0.00 0.00 0.00 176.54 176.02 1two h ALA 51 N 0.06 0.54 -0.89 0.00 0.00 0.30 0.79 119.26 120.06 1two h ALA 51 Ca -0.10 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1two h ALA 51 Cb 1.46 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1two h ALA 51 CO 0.11 -0.27 0.59 0.97 0.00 0.00 0.00 179.25 180.65 1two h ILE 52 N 0.28 1.21 -0.32 0.00 6.09 -1.54 0.02 117.51 123.25 1two h ILE 52 Ca 0.23 -0.41 0.01 0.00 -1.37 0.00 0.00 64.86 63.32 1two h ILE 52 Cb 0.27 -0.08 -0.02 0.00 0.47 0.00 0.00 36.82 37.46 1two h ILE 52 CO -0.27 0.22 0.20 -1.13 -3.07 0.00 0.00 178.15 174.10 1two h ASN 53 N 1.19 0.33 0.30 2.19 -1.24 -0.63 0.18 115.58 117.90 1two h ASN 53 Ca 0.33 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 1two h ASN 53 Cb -0.10 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 1two h ASN 53 CO -0.08 0.24 -0.12 0.00 -1.29 0.00 0.00 177.43 176.18 1two h LEU 55 N 0.00 0.39 -0.29 0.00 7.12 0.96 1.78 115.31 125.27 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 0.31 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1two h LEU 55 CO 0.02 0.18 0.00 0.00 -0.13 0.00 0.00 178.44 178.51 1two n ALA 56 N -2.52 1.82 0.00 1.25 0.00 -0.53 -4.13 120.51 116.39 1two n ALA 56 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1two n ALA 56 Cb 0.62 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.90 0.00 -3.70 0.00 5.66 0.61 -1.35 114.28 113.59 1two n THR 57 Ca 0.04 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.66 1two n THR 57 Cb 0.25 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.93 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 -4.39 2.35 0.35 1.09 -0.14 -1.26 -4.90 119.74 112.83 1two s LYS 58 Ca 0.00 -2.10 0.25 0.00 -1.36 0.00 0.00 55.97 52.76 1two s LYS 58 Cb 0.00 -3.73 1.25 0.00 -1.68 0.00 0.00 37.83 33.67 1two s LYS 58 CO 0.00 -1.14 1.77 -0.07 -0.76 0.00 0.00 175.35 175.15 1two h LEU 59 N 7.73 0.00 -1.37 3.17 4.07 -1.55 0.47 115.31 127.82 1two h LEU 59 Ca -0.09 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 1two h LEU 59 Cb 1.02 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.75 1two h LEU 59 CO 0.73 0.00 -0.14 0.44 -1.08 0.00 0.00 178.44 178.39 1two h ASP 60 N 0.00 0.00 0.20 -0.43 5.19 -1.87 2.10 116.42 121.62 1two h ASP 60 Ca 0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 1two h ASP 60 Cb 0.16 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.69 1two h ASP 60 CO 0.00 0.14 -1.46 -0.37 -3.12 0.00 0.00 179.24 174.43 1two h VAL 61 N 0.00 1.18 0.11 -1.35 -1.51 -1.27 -3.25 116.25 110.16 1two h VAL 61 Ca -0.00 -2.58 -0.16 0.00 -1.23 0.00 0.00 66.70 62.72 1two h VAL 61 Cb 0.60 2.95 0.02 0.00 -2.13 0.00 0.00 31.29 32.73 1two h VAL 61 CO 0.02 0.80 -0.72 -0.37 -1.23 0.00 0.00 177.57 176.07 1two h VAL 62 N 0.01 1.52 -3.63 7.19 -1.51 -1.47 -3.42 116.25 114.94 1two h VAL 62 Ca -0.27 -2.49 -0.64 0.00 -1.23 0.00 0.00 66.70 62.06 1two h VAL 62 Cb 2.03 3.19 -0.39 0.00 -2.13 0.00 0.00 31.29 33.99 1two h VAL 62 CO 0.21 0.69 -0.75 1.51 -1.23 0.00 0.00 177.57 178.00 1two s ASP 63 N -6.84 4.45 0.05 4.19 1.47 0.71 -4.74 116.67 115.96 1two s ASP 63 Ca -0.15 -1.79 -0.16 0.00 1.18 0.00 0.00 52.55 51.63 1two s ASP 63 Cb 0.00 -1.43 -0.21 0.00 -0.34 0.00 0.00 42.92 40.94 1two s ASP 63 CO 0.80 -0.33 1.18 1.55 0.68 0.00 0.00 175.17 179.05 1two h PRO 64 N 7.77 0.59 -0.06 2.11 0.13 -1.73 -3.30 132.00 137.50 1two h PRO 64 Ca -0.10 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1two h PRO 64 Cb 1.03 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1two h PRO 64 CO 0.48 1.20 0.00 -0.25 -0.23 0.00 0.00 178.00 179.20 1two n ASP 65 N -4.06 1.99 0.00 1.44 9.92 -1.26 -4.95 116.55 119.64 1two n ASP 65 Ca -0.10 -1.51 0.00 0.00 -0.53 0.00 0.00 54.79 52.65 1two n ASP 65 Cb 0.74 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.19 1two n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1two n GLY 66 N 0.53 1.05 0.37 0.44 0.00 -1.25 -5.00 105.19 101.33 1two n GLY 66 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.68 -1.87 1.61 -1.24 -1.85 -3.46 115.58 109.45 1two h ASN 67 Ca 0.00 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.14 1two h ASN 67 Cb 0.00 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1two h ASN 67 CO 0.00 0.30 0.31 0.00 -1.29 0.00 0.00 177.43 176.75 1two n LEU 68 N -4.62 0.00 -3.64 0.34 -0.00 -1.26 -3.72 117.00 104.10 1two n LEU 68 Ca 0.20 -1.06 -0.14 0.00 -0.00 0.00 0.00 56.01 55.01 1two n LEU 68 Cb 0.54 1.86 -0.13 0.00 -0.00 0.00 0.00 43.42 45.68 1two n LEU 68 CO 0.27 -0.35 -0.14 -1.00 -0.00 0.00 0.00 177.39 176.17 1two s HIS 69 N -3.97 -0.42 0.25 1.47 3.76 -1.22 -4.61 115.29 110.54 1two s HIS 69 Ca 0.13 0.91 -0.27 0.00 -0.15 0.00 0.00 55.06 55.67 1two s HIS 69 Cb -0.02 -0.06 -0.16 0.00 1.11 0.00 0.00 32.58 33.45 1two s HIS 69 CO 0.04 -0.38 0.58 1.58 -0.85 0.00 0.00 174.74 175.71 1two n HIS 70 N 5.35 -0.29 0.00 1.40 -0.00 -1.26 -0.14 115.22 120.28 1two n HIS 70 Ca -0.06 0.87 0.00 0.00 0.46 0.00 0.00 57.72 58.99 1two n HIS 70 Cb 0.50 -2.00 0.00 0.00 -0.12 0.00 0.00 29.99 28.36 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 1.86 1.37 2.49 1.57 0.00 -1.26 -4.66 105.19 106.56 1two n GLY 71 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 2.47 2.48 -4.73 1.61 2.85 0.80 -4.85 115.26 115.89 1two n ASN 72 Ca 0.00 -3.14 -0.42 0.00 -0.11 0.00 0.00 54.58 50.91 1two n ASN 72 Cb 0.00 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 40.32 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 -1.73 3.88 1.22 5.20 0.00 -0.52 -3.46 121.76 126.35 1two s ALA 73 Ca 0.35 1.56 -0.14 0.00 0.00 0.00 0.00 51.96 53.73 1two s ALA 73 Cb 0.10 -3.68 0.31 0.00 0.00 0.00 0.00 23.12 19.85 1two s ALA 73 CO -0.09 -0.92 1.01 0.15 0.00 0.00 0.00 175.76 175.91 1two s LYS 74 N 0.77 -1.36 0.00 0.00 1.02 -1.26 -4.81 119.74 114.10 1two s LYS 74 Ca 0.71 0.75 0.09 0.00 0.02 0.00 0.00 55.97 57.55 1two s LYS 74 Cb -0.49 -1.51 0.54 0.00 -0.52 0.00 0.00 37.83 35.86 1two s LYS 74 CO 0.36 -3.99 1.07 -0.25 -0.92 0.00 0.00 175.35 171.61 1two n ASP 75 N -5.09 0.00 -0.07 2.83 8.00 -1.26 -2.05 116.55 118.91 1two n ASP 75 Ca 0.03 -0.98 -0.06 0.00 0.71 0.00 0.00 54.79 54.49 1two n ASP 75 Cb 0.55 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.53 1two n ASP 75 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1two n PHE 76 N -0.73 0.00 0.00 1.24 -0.00 -1.26 -4.37 117.46 112.35 1two n PHE 76 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 1two n PHE 76 Cb 0.03 -0.70 0.00 0.00 -0.00 0.00 0.00 39.48 38.81 1two n PHE 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1two n ALA 77 N -2.51 -0.07 -0.45 3.13 0.00 -0.87 -0.25 120.51 119.50 1two n ALA 77 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 1two n ALA 77 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.36 1two n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1two n MET 78 N -0.75 0.91 0.02 0.00 0.00 -1.24 -2.90 117.12 113.15 1two n MET 78 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 57.70 57.51 1two n MET 78 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 31.89 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 1.91 0.00 0.00 3.17 0.00 -1.21 -4.49 118.16 117.54 1two n LYS 79 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.44 1two n LYS 79 Cb 0.44 0.00 0.24 0.00 0.00 0.00 0.00 35.03 35.70 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 -2.59 0.00 -2.13 5.64 1.44 0.66 -2.02 115.22 116.22 1two n HIS 80 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1two n HIS 80 Cb 0.00 -0.32 0.00 0.00 0.12 0.00 0.00 29.99 29.79 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 -0.48 0.70 3.23 -1.39 0.00 -1.22 -5.09 105.19 100.95 1two n GLY 81 Ca 0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.34 0.26 4.61 0.00 -0.86 -5.01 121.76 122.11 1two s ALA 82 Ca 0.09 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 1two s ALA 82 Cb 0.10 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 1two s ALA 82 CO -0.04 -0.13 0.66 -0.51 0.00 0.00 0.00 175.76 175.73 1two s ASP 83 N -3.14 6.80 0.58 0.00 1.11 -1.26 -4.71 116.67 116.04 1two s ASP 83 Ca 0.16 1.19 0.36 0.00 0.18 0.00 0.00 52.55 54.44 1two s ASP 83 Cb 0.03 -2.33 1.37 0.00 1.07 0.00 0.00 42.92 43.06 1two s ASP 83 CO -0.01 -0.09 1.55 -0.33 1.18 0.00 0.00 175.17 177.48 1two h GLU 84 N 2.72 0.00 -0.39 8.23 5.08 -1.97 2.13 114.58 130.37 1two h GLU 84 Ca -0.48 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.73 1two h GLU 84 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1two h GLU 84 CO 0.66 0.00 -0.35 0.00 -1.00 0.00 0.00 179.01 178.32 1two h THR 85 N 0.00 1.27 -1.06 1.13 1.03 -2.00 -2.99 112.91 110.29 1two h THR 85 Ca 0.61 -1.52 0.29 0.00 -0.01 0.00 0.00 66.41 65.78 1two h THR 85 Cb 2.86 1.34 -0.11 0.00 -1.07 0.00 0.00 68.15 71.17 1two h THR 85 CO -0.01 0.51 0.67 0.00 -0.01 0.00 0.00 175.52 176.68 1two h MET 86 N 0.75 0.38 -0.48 0.00 -0.00 0.31 1.86 114.93 117.75 1two h MET 86 Ca 0.07 -0.02 0.09 0.00 -0.00 0.00 0.00 59.70 59.84 1two h MET 86 Cb 0.93 -0.08 -0.08 0.00 -0.00 0.00 0.00 31.60 32.37 1two h MET 86 CO 0.09 0.25 0.01 0.00 -0.00 0.00 0.00 176.91 177.26 1two h ALA 87 N 1.66 0.47 0.00 -3.00 0.00 -1.54 0.80 119.26 117.65 1two h ALA 87 Ca 0.65 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.55 1two h ALA 87 Cb 1.60 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1two h ALA 87 CO -0.38 -0.38 -0.88 0.37 0.00 0.00 0.00 179.25 177.98 1two h GLN 88 N 0.13 0.00 -0.65 0.00 4.15 -0.50 -3.28 115.11 114.96 1two h GLN 88 Ca 0.24 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.72 1two h GLN 88 Cb 0.36 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.97 1two h GLN 88 CO -0.39 0.79 -0.42 1.96 -1.93 0.00 0.00 178.83 178.84 1two h GLN 89 N -1.00 -0.05 -0.74 1.69 1.08 0.27 0.59 115.11 116.95 1two h GLN 89 Ca -0.22 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.14 1two h GLN 89 Cb 1.07 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 28.40 1two h GLN 89 CO -0.13 -0.03 0.19 -0.07 -0.95 0.00 0.00 178.83 177.83 1two h LEU 90 N -0.05 0.03 -1.68 1.46 4.07 -1.02 1.78 115.31 119.90 1two h LEU 90 Ca 0.11 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1two h LEU 90 Cb 0.32 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1two h LEU 90 CO -0.64 -0.03 0.20 0.58 -1.08 0.00 0.00 178.44 177.47 1two h VAL 91 N 0.28 0.00 0.04 1.22 2.07 0.06 1.59 116.25 121.51 1two h VAL 91 Ca 0.42 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.94 1two h VAL 91 Cb 0.72 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1two h VAL 91 CO -0.51 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.28 1two h ASP 92 N 0.00 -0.04 -0.16 0.57 3.58 0.42 -2.69 116.42 118.10 1two h ASP 92 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1two h ASP 92 Cb 0.39 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1two h ASP 92 CO 0.00 0.03 -0.03 0.16 -2.88 0.00 0.00 179.24 176.52 1two h ILE 93 N -0.18 1.28 -0.40 2.25 -2.65 -1.26 -2.25 117.51 114.31 1two h ILE 93 Ca -0.01 -0.96 0.12 0.00 1.03 0.00 0.00 64.86 65.04 1two h ILE 93 Cb 0.04 1.60 -0.02 0.00 -2.05 0.00 0.00 36.82 36.39 1two h ILE 93 CO 0.01 0.28 0.45 0.40 0.03 0.00 0.00 178.15 179.33 1two h ILE 94 N 0.01 0.35 0.00 0.16 2.04 0.21 1.37 117.51 121.65 1two h ILE 94 Ca 0.04 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.71 1two h ILE 94 Cb 0.45 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1two h ILE 94 CO 0.01 0.00 -0.85 0.45 0.00 0.00 0.00 178.15 177.77 1two h HIS 95 N 0.00 0.21 0.00 1.37 3.86 -1.05 0.53 115.15 120.07 1two h HIS 95 Ca 0.19 -0.11 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 1two h HIS 95 Cb 1.09 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 1two h HIS 95 CO 0.00 0.92 -1.27 0.41 0.86 0.00 0.00 177.93 178.85 1two n GLY 96 N 0.83 -1.29 0.05 2.45 0.00 0.38 -3.40 105.19 104.22 1two n GLY 96 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1two n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1two h GLU 98 N -0.75 0.16 -0.02 0.00 4.81 -0.11 3.51 114.58 122.18 1two h GLU 98 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1two h GLU 98 Cb 0.37 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1two h GLU 98 CO 0.00 0.11 -0.61 1.57 -0.73 0.00 0.00 179.01 179.35 1two h LYS 99 N 0.17 0.08 -0.00 1.92 5.09 -1.66 -2.81 116.57 119.34 1two h LYS 99 Ca 0.73 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.41 1two h LYS 99 Cb 2.28 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.62 1two h LYS 99 CO -0.30 0.66 -0.70 0.45 -2.09 0.00 0.00 179.45 177.47 1two n SER 100 N -3.83 1.08 -3.96 7.07 2.88 0.94 -4.57 113.62 113.23 1two n SER 100 Ca -0.02 -0.91 -0.30 0.00 -1.33 0.00 0.00 58.87 56.31 1two n SER 100 Cb 0.61 0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 64.59 1two n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1two s ALA 101 N -2.85 3.92 0.94 -1.46 0.00 0.95 -5.04 121.76 118.23 1two s ALA 101 Ca 0.13 -3.82 -0.13 0.00 0.00 0.00 0.00 51.96 48.14 1two s ALA 101 Cb 0.17 -2.36 0.15 0.00 0.00 0.00 0.00 23.12 21.08 1two s ALA 101 CO 0.73 -2.11 1.15 -1.25 0.00 0.00 0.00 175.76 174.29 1two s PRO 102 N -1.37 0.93 0.00 0.00 0.04 -1.25 -4.65 135.00 128.70 1two s PRO 102 Ca 0.25 0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 1two s PRO 102 Cb -0.06 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1two s PRO 102 CO -0.15 -2.32 1.93 -0.35 0.04 0.00 0.00 177.00 176.15 1two n PRO 103 N -3.83 0.99 -1.83 0.56 -0.04 -1.26 -4.48 135.00 125.11 1two n PRO 103 Ca 0.08 -0.24 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 1two n PRO 103 Cb 0.59 -1.36 0.06 0.00 -0.04 0.00 0.00 33.50 32.75 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 4.80 0.64 3.54 3.84 -1.26 -4.83 114.94 123.75 1two s ASN 104 Ca 0.16 2.53 0.33 0.00 0.21 0.00 0.00 52.86 56.09 1two s ASN 104 Cb 0.08 -2.61 1.78 0.00 -0.55 0.00 0.00 41.25 39.95 1two s ASN 104 CO 0.00 -1.87 2.04 0.44 -2.79 0.00 0.00 177.10 174.92 1two h ASP 105 N 0.64 0.00 -0.18 -4.21 5.19 -2.05 0.23 116.42 116.03 1two h ASP 105 Ca -0.51 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.81 1two h ASP 105 Cb 1.32 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.78 1two h ASP 105 CO 0.54 0.00 0.12 -0.67 -3.12 0.00 0.00 179.24 176.11 1two n ASP 106 N -3.18 3.25 -0.67 6.45 2.03 -1.26 -4.43 116.55 118.74 1two n ASP 106 Ca -0.00 -2.31 0.51 0.00 0.52 0.00 0.00 54.79 53.51 1two n ASP 106 Cb 0.34 -0.59 0.79 0.00 -0.72 0.00 0.00 41.12 40.94 1two n ASP 106 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1two n LYS 107 N 0.24 0.00 -0.15 -0.67 2.85 0.80 0.22 118.16 121.44 1two n LYS 107 Ca 0.11 1.07 -0.03 0.00 -1.05 0.00 0.00 58.31 58.41 1two n LYS 107 Cb 0.71 -2.49 0.04 0.00 -0.65 0.00 0.00 35.03 32.64 1two n LYS 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1two n MET 109 N -5.30 1.49 0.00 0.00 0.00 0.59 -3.95 117.12 109.95 1two n MET 109 Ca 0.04 -0.85 0.00 0.00 -0.00 0.00 0.00 57.70 56.89 1two n MET 109 Cb 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1two n MET 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1two n LYS 110 N -0.14 0.00 -0.25 2.12 4.01 0.23 -3.69 118.16 120.45 1two n LYS 110 Ca 0.07 0.12 0.05 0.00 -0.51 0.00 0.00 58.31 58.05 1two n LYS 110 Cb 0.38 -0.50 0.18 0.00 -0.51 0.00 0.00 35.03 34.59 1two n LYS 110 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1two h THR 111 N 0.00 0.61 -0.76 -0.18 2.02 -0.97 0.13 112.91 113.77 1two h THR 111 Ca 0.00 -0.13 0.17 0.00 0.77 0.00 0.00 66.41 67.22 1two h THR 111 Cb 0.00 0.20 -0.12 0.00 -1.74 0.00 0.00 68.15 66.50 1two h THR 111 CO 0.00 0.07 0.17 -0.29 0.37 0.00 0.00 175.52 175.84 1two h ILE 112 N 0.38 0.48 -0.91 3.11 -0.00 -1.63 0.42 117.51 119.35 1two h ILE 112 Ca 0.41 -0.09 0.21 0.00 -0.00 0.00 0.00 64.86 65.40 1two h ILE 112 Cb 0.65 0.20 -0.17 0.00 -0.00 0.00 0.00 36.82 37.50 1two h ILE 112 CO -0.44 0.05 -0.09 -0.78 -0.00 0.00 0.00 178.15 176.89 1two h ASP 113 N 0.25 -0.63 0.00 2.19 1.82 -0.81 1.54 116.42 120.78 1two h ASP 113 Ca 0.43 0.26 -0.00 0.00 -0.39 0.00 0.00 57.03 57.33 1two h ASP 113 Cb 0.76 0.50 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1two h ASP 113 CO -0.54 -0.30 -0.00 0.58 -1.61 0.00 0.00 179.24 177.37 1two h VAL 114 N 0.02 1.66 -0.11 2.25 2.07 -0.59 0.61 116.25 122.16 1two h VAL 114 Ca 0.49 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 66.06 1two h VAL 114 Cb 0.88 3.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1two h VAL 114 CO -0.89 0.51 0.50 0.00 0.02 0.00 0.00 177.57 177.72 1two h ALA 115 N 0.14 1.64 0.00 1.67 0.00 0.20 0.21 119.26 123.13 1two h ALA 115 Ca -0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1two h ALA 115 Cb 0.84 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1two h ALA 115 CO 0.00 -0.56 -2.16 -0.12 0.00 0.00 0.00 179.25 176.41 1two n MET 116 N -2.97 0.90 -0.17 0.00 0.00 0.50 -4.00 117.12 111.39 1two n MET 116 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 57.70 57.74 1two n MET 116 Cb 0.57 -1.42 0.03 0.00 0.00 0.00 0.00 33.22 32.40 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 -0.07 0.84 -0.03 0.00 3.57 -1.56 -2.13 116.94 117.56 1two h PHE 118 Ca 0.25 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1two h PHE 118 Cb 0.45 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1two h PHE 118 CO -0.49 0.79 -0.39 0.87 -2.23 0.00 0.00 178.31 176.86 1two h LYS 119 N 0.74 0.06 -0.11 1.11 1.57 -0.66 -2.11 116.57 117.17 1two h LYS 119 Ca 0.14 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1two h LYS 119 Cb 0.46 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1two h LYS 119 CO 0.02 0.44 -0.07 0.87 -0.57 0.00 0.00 179.45 180.15 1two h LYS 120 N 0.05 0.16 -0.10 3.15 1.57 0.27 -0.83 116.57 120.85 1two h LYS 120 Ca 0.00 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1two h LYS 120 Cb 0.72 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1two h LYS 120 CO 0.05 0.25 0.07 0.93 -0.57 0.00 0.00 179.45 180.18 1two h GLU 121 N 0.16 0.00 0.13 3.15 4.39 -1.22 -0.52 114.58 120.68 1two h GLU 121 Ca 0.04 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 1two h GLU 121 Cb 0.23 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1two h GLU 121 CO 0.01 0.00 -1.24 0.82 -1.16 0.00 0.00 179.01 177.44 1two h ILE 122 N 0.00 1.36 -0.07 3.13 1.08 -1.25 -3.14 117.51 118.63 1two h ILE 122 Ca 0.05 -2.68 0.02 0.00 -0.39 0.00 0.00 64.86 61.86 1two h ILE 122 Cb 0.19 2.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.73 1two h ILE 122 CO -0.00 0.80 0.67 1.12 -0.69 0.00 0.00 178.15 180.05 1two h HIS 123 N 0.19 0.00 -0.76 1.37 2.07 -0.86 2.89 115.15 120.04 1two h HIS 123 Ca -0.17 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.01 1two h HIS 123 Cb 1.93 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 31.71 1two h HIS 123 CO 0.09 0.00 0.43 1.63 -3.07 0.00 0.00 177.93 177.01 1two n LYS 124 N -2.78 2.59 0.00 5.12 5.02 -1.18 -4.57 118.16 122.35 1two n LYS 124 Ca 0.01 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 1two n LYS 124 Cb 0.72 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1two n LYS 124 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1two n LEU 125 N -0.56 0.00 -0.45 -0.35 -0.00 0.96 -4.26 117.00 112.34 1two n LEU 125 Ca 0.44 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.53 1two n LEU 125 Cb 1.39 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.83 1two n LEU 125 CO 0.46 0.00 0.34 -3.20 -0.00 0.00 0.00 177.39 174.99 1two n ASN 126 N 0.00 1.84 -4.89 1.45 5.15 -1.26 -4.96 115.26 112.59 1two n ASN 126 Ca 0.00 -1.42 -0.30 0.00 -0.60 0.00 0.00 54.58 52.26 1two n ASN 126 Cb 0.00 0.32 -0.03 0.00 -0.53 0.00 0.00 39.78 39.53 1two n ASN 126 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1two s TRP 127 N -1.70 3.46 -0.30 1.20 0.51 -1.26 -5.05 118.94 115.79 1two s TRP 127 Ca 0.15 0.89 -0.14 0.00 -2.12 0.00 0.00 56.10 54.88 1two s TRP 127 Cb 0.13 -2.30 -0.03 0.00 -0.81 0.00 0.00 33.47 30.45 1two s TRP 127 CO 0.33 0.04 0.30 0.54 -0.51 0.00 0.00 176.95 177.65 1two s VAL 128 N -2.21 5.22 -0.13 4.03 0.11 -1.26 -4.63 120.40 121.54 1two s VAL 128 Ca 0.48 0.21 -0.05 0.00 -2.93 0.00 0.00 61.98 59.70 1two s VAL 128 Cb -0.10 -3.69 -0.19 0.00 -1.53 0.00 0.00 36.38 30.87 1two s VAL 128 CO 0.29 0.09 2.81 -0.81 -3.33 0.00 0.00 175.10 174.16 1two n PRO 129 N 5.24 1.64 -0.29 1.54 -0.04 -1.26 -4.56 135.00 137.28 1two n PRO 129 Ca -0.11 -0.86 0.33 0.00 -0.04 0.00 0.00 63.50 62.82 1two n PRO 129 Cb 0.51 -1.95 0.60 0.00 -0.04 0.00 0.00 33.50 32.61 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 3.96 0.00 -2.95 3.54 -1.24 -2.02 -3.24 115.58 113.62 1two h ASN 130 Ca 0.20 0.00 -0.68 0.00 0.71 0.00 0.00 56.30 56.53 1two h ASN 130 Cb 1.04 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.91 1two h ASN 130 CO 0.44 0.00 0.19 -0.32 -1.29 0.00 0.00 177.43 176.45 1two s MET 131 N -4.61 3.09 -0.09 6.67 1.75 -1.26 -5.01 119.30 119.84 1two s MET 131 Ca -0.04 -1.09 0.01 0.00 -1.25 0.00 0.00 55.69 53.33 1two s MET 131 Cb 0.18 -4.21 0.02 0.00 2.84 0.00 0.00 34.83 33.65 1two s MET 131 CO 0.61 -1.51 -0.12 0.16 -0.65 0.00 0.00 175.02 173.51 1two s ASP 132 N 3.39 2.03 -0.27 1.11 -4.77 -1.23 -4.89 116.67 112.03 1two s ASP 132 Ca 0.15 -0.33 -0.28 0.00 -3.30 0.00 0.00 52.55 48.79 1two s ASP 132 Cb -0.21 -0.89 -0.12 0.00 -1.09 0.00 0.00 42.92 40.61 1two s ASP 132 CO 0.09 -0.01 0.93 0.00 0.70 0.00 0.00 175.17 176.88 1two n LEU 133 N 4.20 0.66 -0.29 2.11 -0.00 -1.26 -4.78 117.00 117.64 1two n LEU 133 Ca -0.19 0.71 0.03 0.00 -0.00 0.00 0.00 56.01 56.55 1two n LEU 133 Cb 0.51 -0.53 0.06 0.00 -0.00 0.00 0.00 43.42 43.47 1two n LEU 133 CO 0.23 -0.56 0.53 1.33 -0.00 0.00 0.00 177.39 178.91 1two n VAL 134 N 2.26 0.85 0.86 1.47 0.24 -1.26 -4.41 118.33 118.34 1two n VAL 134 Ca 0.18 -0.93 0.11 0.00 -2.04 0.00 0.00 64.34 61.66 1two n VAL 134 Cb -0.03 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.02 0.03 -1.62 1.34 -0.00 -1.26 -4.96 119.36 112.91 1two n ILE 135 Ca 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 1two n ILE 135 Cb 0.30 0.65 0.00 0.00 -0.00 0.00 0.00 39.64 40.60 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 1.46 0.81 3.70 3.28 0.00 -1.26 -5.06 105.19 108.12 1two n GLY 136 Ca 0.03 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1two n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1two s GLU 137 N -3.42 3.63 -0.29 1.61 -6.30 -1.26 -5.04 118.70 107.63 1two s GLU 137 Ca 0.00 -0.31 -0.28 0.00 -2.50 0.00 0.00 54.97 51.87 1two s GLU 137 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 34.13 31.00 1two s GLU 137 CO 0.00 0.48 1.86 0.14 0.02 0.00 0.00 175.26 177.77 1two s VAL 138 N -0.23 3.40 0.00 3.70 -7.23 -1.26 -4.24 120.40 114.54 1two s VAL 138 Ca 0.08 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1two s VAL 138 Cb -0.12 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1two s VAL 138 CO 0.01 -0.31 0.00 -0.11 -0.31 0.00 0.00 175.10 174.38 1two n LEU 139 N 10.27 0.00 -4.86 1.32 7.94 -1.26 -4.90 117.00 125.51 1two n LEU 139 Ca 0.24 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.84 1two n LEU 139 Cb 0.46 0.04 0.07 0.00 0.53 0.00 0.00 43.42 44.51 1two n LEU 139 CO 0.68 -0.04 0.74 0.00 -1.11 0.00 0.00 177.39 177.66 1two s ALA 140 N -1.00 2.65 -0.96 1.96 0.00 -1.26 -4.92 121.76 118.23 1two s ALA 140 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 1two s ALA 140 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1two s ALA 140 CO 0.00 -1.41 1.82 -2.00 0.00 0.00 0.00 175.76 174.18 1two s GLU 141 N -5.33 2.83 0.00 0.00 2.12 -1.26 -4.72 118.70 112.34 1two s GLU 141 Ca 0.60 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1two s GLU 141 Cb -0.12 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 29.11 1two s GLU 141 CO 0.52 -3.12 0.34 1.55 -0.54 0.00 0.00 175.26 174.01