#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 1.43 -0.04 -1.26 -4.67 135.00 131.15 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 0.79 0.00 -0.04 0.00 0.00 33.50 34.25 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 -0.79 0.54 5.08 -1.88 0.22 114.58 117.76 1two h GLU 3 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1two h GLU 3 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1two h GLU 3 CO 0.00 0.00 0.51 0.82 -1.00 0.00 0.00 179.01 179.34 1two h ILE 4 N 0.00 0.98 -0.02 3.13 1.08 -1.89 0.41 117.51 121.20 1two h ILE 4 Ca 0.14 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1two h ILE 4 Cb 0.79 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1two h ILE 4 CO -0.00 0.14 0.00 0.80 -0.69 0.00 0.00 178.15 178.40 1two n MET 5 N -4.50 1.62 -4.00 2.37 1.56 0.77 -4.66 117.12 110.28 1two n MET 5 Ca 0.13 -0.90 -0.31 0.00 -0.27 0.00 0.00 57.70 56.35 1two n MET 5 Cb 0.29 -1.47 -0.15 0.00 2.15 0.00 0.00 33.22 34.03 1two n MET 5 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1two s LYS 6 N -1.98 1.71 0.07 2.12 1.02 0.15 -5.01 119.74 117.81 1two s LYS 6 Ca 0.38 -1.49 0.08 0.00 0.02 0.00 0.00 55.97 54.96 1two s LYS 6 Cb 0.21 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1two s LYS 6 CO 0.33 -0.76 -0.22 0.54 -0.92 0.00 0.00 175.35 174.32 1two s ASN 7 N 1.10 2.69 1.44 2.83 4.22 -1.26 -4.78 114.94 121.18 1two s ASN 7 Ca 0.01 -0.61 -0.24 0.00 -2.14 0.00 0.00 52.86 49.89 1two s ASN 7 Cb -0.19 -0.20 0.37 0.00 1.28 0.00 0.00 41.25 42.51 1two s ASN 7 CO -0.08 0.15 0.91 -0.11 -2.04 0.00 0.00 177.10 175.93 1two n LEU 8 N 1.50 0.00 0.00 3.54 0.00 -1.26 -4.85 117.00 115.93 1two n LEU 8 Ca -0.18 -0.93 0.00 0.00 0.00 0.00 0.00 56.01 54.90 1two n LEU 8 Cb 0.53 -0.99 0.00 0.00 0.00 0.00 0.00 43.42 42.96 1two n LEU 8 CO 0.23 -2.71 0.00 -1.20 0.00 0.00 0.00 177.39 173.71 1two n SER 9 N -5.64 0.00 0.00 1.96 7.64 -1.26 -3.84 113.62 112.48 1two n SER 9 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1two n SER 9 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 4.23 -0.66 6.43 3.02 -1.26 -4.07 115.26 122.95 1two n ASN 10 Ca 0.00 0.00 0.49 0.00 -0.03 0.00 0.00 54.58 55.04 1two n ASN 10 Cb 0.00 0.20 0.76 0.00 -0.61 0.00 0.00 39.78 40.13 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 -2.23 0.00 0.00 6.41 5.15 -1.26 0.92 115.26 124.25 1two n ASN 11 Ca 0.00 0.92 0.00 0.00 -0.60 0.00 0.00 54.58 54.90 1two n ASN 11 Cb 0.48 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 1two n ASN 11 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1two n PHE 12 N -3.77 0.00 -0.42 1.20 3.01 -1.26 -4.01 117.46 112.21 1two n PHE 12 Ca 0.41 0.00 0.35 0.00 1.01 0.00 0.00 57.45 59.22 1two n PHE 12 Cb 1.87 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 41.98 1two n PHE 12 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1two h GLY 13 N 0.00 1.01 0.07 1.37 0.00 -1.64 1.99 103.07 105.88 1two h GLY 13 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1two h GLY 13 CO 0.00 -0.25 -0.01 1.70 0.00 0.00 0.00 176.54 177.98 1two h LYS 14 N 0.14 -0.03 -0.66 4.80 3.64 0.35 -0.78 116.57 124.03 1two h LYS 14 Ca 0.74 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 60.20 1two h LYS 14 Cb 2.38 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 34.14 1two h LYS 14 CO -0.30 0.56 0.34 0.00 -2.27 0.00 0.00 179.45 177.78 1two h ALA 15 N -0.35 0.89 -0.48 5.00 0.00 0.23 1.16 119.26 125.71 1two h ALA 15 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1two h ALA 15 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1two h ALA 15 CO 0.01 -0.02 -0.15 0.52 0.00 0.00 0.00 179.25 179.60 1two h MET 16 N 0.61 0.93 -0.20 0.00 2.86 0.29 -2.08 114.93 117.34 1two h MET 16 Ca 0.31 -0.35 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1two h MET 16 Cb 0.26 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1two h MET 16 CO -0.22 1.01 -0.46 0.22 1.06 0.00 0.00 176.91 178.52 1two h ASP 17 N 0.82 0.54 -0.45 1.22 3.58 0.09 -2.66 116.42 119.56 1two h ASP 17 Ca 0.12 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1two h ASP 17 Cb 0.70 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1two h ASP 17 CO 0.05 0.92 0.25 1.56 -2.88 0.00 0.00 179.24 179.15 1two h GLN 18 N 0.41 0.62 -0.69 0.28 4.20 0.16 -2.23 115.11 117.86 1two h GLN 18 Ca 0.03 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1two h GLN 18 Cb 0.96 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1two h GLN 18 CO 0.08 0.49 0.43 0.00 -0.67 0.00 0.00 178.83 179.16 1two n LYS 20 N -4.68 0.09 0.00 0.00 4.81 -0.86 0.22 118.16 117.75 1two n LYS 20 Ca 0.07 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1two n LYS 20 Cb 0.09 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 -2.02 0.00 -0.09 3.14 2.03 0.12 -3.34 116.55 116.40 1two n ASP 21 Ca -0.01 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.38 1two n ASP 21 Cb 0.16 -0.20 0.44 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.00 0.53 0.00 -0.67 4.11 0.14 -0.09 114.58 118.60 1two h GLU 22 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1two h GLU 22 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1two h GLU 22 CO 0.00 0.35 -1.16 1.28 0.07 0.00 0.00 179.01 179.55 1two n LEU 23 N -4.48 0.71 -1.18 3.06 7.99 0.60 -4.93 117.00 118.78 1two n LEU 23 Ca 0.08 -0.30 -0.06 0.00 -0.01 0.00 0.00 56.01 55.72 1two n LEU 23 Cb 0.25 -0.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.50 1two n LEU 23 CO 0.34 0.16 -0.06 -0.24 -1.51 0.00 0.00 177.39 176.08 1two n SER 24 N -1.72 -1.66 -4.94 -1.43 2.88 0.48 -4.86 113.62 102.37 1two n SER 24 Ca 0.02 0.16 -0.25 0.00 -1.33 0.00 0.00 58.87 57.47 1two n SER 24 Cb 0.39 -1.81 0.04 0.00 -0.75 0.00 0.00 64.21 62.07 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 -2.83 3.23 -0.10 2.46 -0.00 -1.12 -4.89 118.68 115.42 1two s LEU 25 Ca 0.00 0.45 -0.30 0.00 -0.00 0.00 0.00 54.13 54.28 1two s LEU 25 Cb 0.00 -3.26 -0.03 0.00 -0.00 0.00 0.00 46.19 42.91 1two s LEU 25 CO 0.00 -1.12 1.24 -2.16 -0.00 0.00 0.00 176.35 174.31 1two s PRO 26 N -4.92 4.29 0.00 1.48 0.04 -1.26 -3.96 135.00 130.66 1two s PRO 26 Ca 0.55 1.69 0.12 0.00 0.04 0.00 0.00 61.00 63.39 1two s PRO 26 Cb -0.10 -3.66 0.72 0.00 0.04 0.00 0.00 34.50 31.50 1two s PRO 26 CO 0.42 -0.58 1.14 -0.40 0.04 0.00 0.00 177.00 177.63 1two n ASP 27 N 5.87 0.00 0.08 6.66 5.75 -1.26 -1.96 116.55 131.69 1two n ASP 27 Ca 0.12 -0.47 -0.23 0.00 -0.01 0.00 0.00 54.79 54.20 1two n ASP 27 Cb 0.45 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.64 -0.47 -1.12 4.64 -1.97 -2.73 113.55 112.55 1two h SER 28 Ca 0.00 -0.92 -0.08 0.00 -0.47 0.00 0.00 61.79 60.32 1two h SER 28 Cb 0.00 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1two h SER 28 CO 0.00 1.71 0.01 -0.37 -0.87 0.00 0.00 176.83 177.32 1two h VAL 29 N 0.02 1.25 -0.02 0.95 -1.51 -1.80 -1.92 116.25 113.22 1two h VAL 29 Ca -0.30 -1.04 -0.11 0.00 -1.23 0.00 0.00 66.70 64.02 1two h VAL 29 Cb 2.03 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.01 1two h VAL 29 CO 0.19 0.37 -0.50 -0.37 -1.23 0.00 0.00 177.57 176.03 1two h VAL 30 N 0.82 1.36 0.00 7.19 -1.51 -1.66 -2.12 116.25 120.33 1two h VAL 30 Ca 0.16 -1.73 -0.03 0.00 -1.23 0.00 0.00 66.70 63.87 1two h VAL 30 Cb 0.47 1.91 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1two h VAL 30 CO 0.02 0.50 -0.13 0.00 -1.23 0.00 0.00 177.57 176.72 1two h ALA 31 N 1.46 1.11 -0.20 5.19 0.00 -1.03 -1.97 119.26 123.82 1two h ALA 31 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1two h ALA 31 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1two h ALA 31 CO 0.07 0.17 -0.06 0.22 0.00 0.00 0.00 179.25 179.64 1two h ASP 32 N 0.00 0.28 -0.62 0.00 1.82 -0.86 -2.35 116.42 114.69 1two h ASP 32 Ca -0.00 -0.05 0.12 0.00 -0.39 0.00 0.00 57.03 56.72 1two h ASP 32 Cb 0.51 -0.07 -0.09 0.00 0.68 0.00 0.00 39.33 40.35 1two h ASP 32 CO 0.02 0.38 0.10 0.25 -1.61 0.00 0.00 179.24 178.38 1two h LEU 33 N 0.29 -0.08 -2.49 2.28 6.46 -1.43 0.79 115.31 121.13 1two h LEU 33 Ca 0.06 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1two h LEU 33 Cb 0.30 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1two h LEU 33 CO 0.01 -0.04 0.06 1.88 -0.62 0.00 0.00 178.44 179.74 1two h TYR 34 N 0.21 0.00 0.00 1.25 -1.99 -1.57 -3.13 116.97 111.75 1two h TYR 34 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 1two h TYR 34 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1two h TYR 34 CO -0.28 0.00 0.00 -1.71 -0.00 0.00 0.00 178.16 176.17 1two n ASN 35 N -3.66 0.00 0.00 3.88 2.85 0.26 -4.83 115.26 113.76 1two n ASN 35 Ca -0.02 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 1two n ASN 35 Cb 0.15 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 40.83 1two n ASN 35 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1two n PHE 36 N -1.52 0.00 -0.11 1.20 3.72 -0.52 -5.01 117.46 115.22 1two n PHE 36 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1two n PHE 36 Cb 0.00 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.78 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 1.23 -0.09 1.38 -0.00 -1.21 -4.45 117.44 114.30 1two n TRP 37 Ca 0.00 -0.43 -0.14 0.00 -0.00 0.00 0.00 57.50 56.93 1two n TRP 37 Cb 0.00 -0.34 -0.09 0.00 -0.00 0.00 0.00 31.31 30.88 1two n TRP 37 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1two h LYS 38 N 2.41 -0.43 -0.77 -2.67 1.57 -1.87 1.19 116.57 116.00 1two h LYS 38 Ca 0.00 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.03 1two h LYS 38 Cb 1.37 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 1two h LYS 38 CO 0.29 -0.29 0.77 0.22 -0.57 0.00 0.00 179.45 179.87 1two h ASP 39 N -0.45 0.00 -0.67 0.86 1.82 -1.83 -3.31 116.42 112.84 1two h ASP 39 Ca 0.07 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.41 1two h ASP 39 Cb 0.62 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.59 1two h ASP 39 CO -0.54 0.00 0.79 -0.62 -1.61 0.00 0.00 179.24 177.25 1two s ASP 40 N -4.69 5.11 0.77 2.28 -1.08 0.41 -4.94 116.67 114.53 1two s ASP 40 Ca -0.04 -0.85 -0.11 0.00 -0.52 0.00 0.00 52.55 51.03 1two s ASP 40 Cb 0.17 -2.57 0.06 0.00 -1.46 0.00 0.00 42.92 39.12 1two s ASP 40 CO 0.58 -2.82 1.08 -0.31 0.52 0.00 0.00 175.17 174.22 1two s TYR 41 N 10.31 2.78 0.57 -5.34 2.02 -1.25 -4.71 117.35 121.73 1two s TYR 41 Ca 0.70 1.36 0.46 0.00 -0.37 0.00 0.00 57.07 59.22 1two s TYR 41 Cb -0.06 -3.03 1.61 0.00 -0.40 0.00 0.00 41.96 40.09 1two s TYR 41 CO 0.02 -1.70 1.55 -0.39 -1.57 0.00 0.00 175.55 173.46 1two h VAL 42 N -1.05 0.03 -1.17 0.71 -1.51 -1.91 0.52 116.25 111.88 1two h VAL 42 Ca -0.45 0.00 0.34 0.00 -1.23 0.00 0.00 66.70 65.35 1two h VAL 42 Cb 1.24 0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 30.39 1two h VAL 42 CO 0.56 0.00 1.20 0.00 -1.23 0.00 0.00 177.57 178.10 1two h MET 43 N 0.00 0.00 0.00 5.19 -0.00 -1.95 -1.57 114.93 116.60 1two h MET 43 Ca 0.85 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 60.39 1two h MET 43 Cb 3.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 35.13 1two h MET 43 CO -0.01 0.00 -1.51 2.41 -0.00 0.00 0.00 176.91 177.80 1two n THR 44 N -3.42 0.54 -3.62 -0.10 -1.04 0.18 -4.93 114.28 101.89 1two n THR 44 Ca 0.26 -0.13 -0.29 0.00 -2.04 0.00 0.00 64.05 61.85 1two n THR 44 Cb 1.55 -1.63 -0.13 0.00 -1.82 0.00 0.00 70.33 68.30 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 -5.86 3.45 0.14 8.00 -1.08 -0.64 -4.96 116.67 115.71 1two s ASP 45 Ca -0.13 -2.31 -0.09 0.00 -0.52 0.00 0.00 52.55 49.49 1two s ASP 45 Cb 0.05 -0.77 -0.05 0.00 -1.46 0.00 0.00 42.92 40.70 1two s ASP 45 CO 0.17 -0.30 1.42 -0.09 0.52 0.00 0.00 175.17 176.88 1two h ARG 46 N 7.04 0.79 -0.83 4.34 2.43 -1.70 -3.08 114.38 123.37 1two h ARG 46 Ca -0.01 -0.52 0.19 0.00 -0.81 0.00 0.00 59.98 58.83 1two h ARG 46 Cb 0.95 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.46 1two h ARG 46 CO 0.40 1.14 0.31 -0.07 -1.51 0.00 0.00 179.97 180.25 1two h LEU 47 N 0.60 0.23 -2.31 3.80 -0.00 -1.93 1.70 115.31 117.40 1two h LEU 47 Ca 0.01 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1two h LEU 47 Cb 1.17 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1two h LEU 47 CO 0.12 0.01 0.07 0.00 -0.00 0.00 0.00 178.44 178.64 1two h ALA 48 N 1.65 1.71 0.00 1.53 0.00 -1.88 2.38 119.26 124.65 1two h ALA 48 Ca 0.49 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 1two h ALA 48 Cb 0.88 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1two h ALA 48 CO -0.50 -0.10 -1.10 0.78 0.00 0.00 0.00 179.25 178.32 1two h GLY 49 N 0.00 0.00 0.81 0.00 0.00 0.24 -2.01 103.07 102.11 1two h GLY 49 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.01 1two h GLY 49 CO -0.00 0.00 -1.85 0.00 0.00 0.00 0.00 176.54 174.69 1two h ALA 51 N 0.19 0.13 -1.05 0.00 0.00 0.38 -2.25 119.26 116.66 1two h ALA 51 Ca -0.37 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 54.71 1two h ALA 51 Cb 2.06 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.71 1two h ALA 51 CO 0.13 -0.27 0.67 0.97 0.00 0.00 0.00 179.25 180.74 1two h ILE 52 N -0.01 0.51 -0.95 0.00 6.09 -1.51 1.02 117.51 122.67 1two h ILE 52 Ca 0.03 -0.14 0.11 0.00 -1.37 0.00 0.00 64.86 63.49 1two h ILE 52 Cb 0.18 0.07 -0.07 0.00 0.47 0.00 0.00 36.82 37.48 1two h ILE 52 CO -0.00 0.07 0.61 -1.13 -3.07 0.00 0.00 178.15 174.63 1two h ASN 53 N 0.40 0.86 -0.50 2.19 -1.24 -1.48 0.51 115.58 116.32 1two h ASN 53 Ca 0.61 0.03 0.15 0.00 0.71 0.00 0.00 56.30 57.80 1two h ASN 53 Cb 1.52 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 40.41 1two h ASN 53 CO -0.32 0.49 0.37 0.00 -1.29 0.00 0.00 177.43 176.67 1two h LEU 55 N 0.00 0.19 -0.48 0.00 6.46 0.07 2.05 115.31 123.60 1two h LEU 55 Ca 0.24 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1two h LEU 55 Cb 0.97 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1two h LEU 55 CO -0.00 0.08 0.00 0.00 -0.62 0.00 0.00 178.44 177.90 1two h ALA 56 N 1.61 1.00 0.00 1.25 0.00 -0.22 -3.36 119.26 119.53 1two h ALA 56 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1two h ALA 56 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1two h ALA 56 CO -0.08 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.80 1two n THR 57 N -2.64 0.00 -3.87 0.00 5.66 0.69 -2.30 114.28 111.82 1two n THR 57 Ca 0.03 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.68 1two n THR 57 Cb 0.38 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.03 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 -4.62 2.15 0.54 1.09 -0.14 -1.26 -4.93 119.74 112.57 1two s LYS 58 Ca 0.00 -1.56 0.32 0.00 -1.36 0.00 0.00 55.97 53.38 1two s LYS 58 Cb 0.00 -3.34 1.30 0.00 -1.68 0.00 0.00 37.83 34.10 1two s LYS 58 CO 0.00 -0.84 1.96 -0.07 -0.76 0.00 0.00 175.35 175.64 1two h LEU 59 N 7.97 0.00 -1.11 3.17 4.07 -1.78 -1.89 115.31 125.74 1two h LEU 59 Ca -0.16 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.74 1two h LEU 59 Cb 1.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 1two h LEU 59 CO 0.60 0.02 -0.04 0.44 -1.08 0.00 0.00 178.44 178.37 1two h ASP 60 N 0.00 0.55 0.31 -0.43 5.19 -1.89 1.51 116.42 121.66 1two h ASP 60 Ca -0.00 -0.12 -0.33 0.00 -0.62 0.00 0.00 57.03 55.96 1two h ASP 60 Cb 0.55 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1two h ASP 60 CO 0.00 0.65 -1.65 -0.37 -3.12 0.00 0.00 179.24 174.75 1two h VAL 61 N 0.54 1.03 -0.23 -1.35 -1.51 -1.84 -3.25 116.25 109.65 1two h VAL 61 Ca 0.11 -2.64 -0.07 0.00 -1.23 0.00 0.00 66.70 62.87 1two h VAL 61 Cb 0.41 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 1two h VAL 61 CO 0.02 0.83 -0.11 0.58 -1.23 0.00 0.00 177.57 177.66 1two h VAL 62 N 0.09 1.30 -3.45 7.19 2.07 -1.10 -3.40 116.25 118.95 1two h VAL 62 Ca -0.30 -1.18 -0.61 0.00 0.82 0.00 0.00 66.70 65.43 1two h VAL 62 Cb 2.06 1.59 -0.39 0.00 -1.52 0.00 0.00 31.29 33.03 1two h VAL 62 CO 0.17 0.36 -0.76 1.51 0.02 0.00 0.00 177.57 178.88 1two s ASP 63 N -6.16 4.09 0.04 0.57 1.47 0.52 -4.74 116.67 112.45 1two s ASP 63 Ca -0.14 -1.56 -0.17 0.00 1.18 0.00 0.00 52.55 51.86 1two s ASP 63 Cb 0.07 -1.14 -0.21 0.00 -0.34 0.00 0.00 42.92 41.30 1two s ASP 63 CO 0.77 -0.34 1.17 1.55 0.68 0.00 0.00 175.17 179.00 1two h PRO 64 N 7.94 0.54 -0.17 2.11 0.13 -1.75 -3.31 132.00 137.49 1two h PRO 64 Ca -0.13 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1two h PRO 64 Cb 1.04 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1two h PRO 64 CO 0.46 1.16 0.00 -0.25 -0.23 0.00 0.00 178.00 179.14 1two n ASP 65 N -4.11 2.42 -0.04 1.44 9.92 -1.26 -4.94 116.55 119.97 1two n ASP 65 Ca -0.10 -1.71 0.00 0.00 -0.53 0.00 0.00 54.79 52.45 1two n ASP 65 Cb 0.71 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 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 0.63 0.84 0.36 0.44 0.00 -1.24 -4.99 105.19 101.23 1two n GLY 66 Ca 0.09 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.75 -1.08 1.61 -0.00 -1.85 -3.46 115.58 111.54 1two h ASN 67 Ca 0.00 0.09 0.14 0.00 -0.00 0.00 0.00 56.30 56.53 1two h ASN 67 Cb 0.06 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.32 1two h ASN 67 CO 0.00 0.26 0.37 0.00 -0.00 0.00 0.00 177.43 178.06 1two n LEU 68 N -4.75 0.00 -3.61 0.34 -0.00 -1.26 -2.85 117.00 104.86 1two n LEU 68 Ca 0.23 -0.26 -0.15 0.00 -0.00 0.00 0.00 56.01 55.84 1two n LEU 68 Cb 0.60 0.87 -0.13 0.00 -0.00 0.00 0.00 43.42 44.76 1two n LEU 68 CO 0.22 -0.09 -0.16 -1.00 -0.00 0.00 0.00 177.39 176.36 1two s HIS 69 N -2.93 -0.37 0.21 1.47 3.76 -1.20 -4.64 115.29 111.59 1two s HIS 69 Ca 0.12 0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 55.49 1two s HIS 69 Cb -0.00 -0.14 -0.17 0.00 1.11 0.00 0.00 32.58 33.38 1two s HIS 69 CO 0.00 -0.41 0.66 -2.39 -0.85 0.00 0.00 174.74 171.75 1two n HIS 70 N 5.34 -0.06 0.00 1.40 1.44 -1.26 -0.06 115.22 122.03 1two n HIS 70 Ca -0.06 0.92 0.00 0.00 -2.01 0.00 0.00 57.72 56.57 1two n HIS 70 Cb 0.50 -2.03 0.00 0.00 0.12 0.00 0.00 29.99 28.58 1two n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1two n GLY 71 N 1.83 1.30 2.76 -1.39 0.00 -1.26 -4.69 105.19 103.74 1two n GLY 71 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1two n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1two s ASN 72 N 0.00 3.80 0.17 1.61 3.84 0.92 -4.92 114.94 120.36 1two s ASN 72 Ca 0.00 -3.32 -0.31 0.00 0.21 0.00 0.00 52.86 49.43 1two s ASN 72 Cb 0.00 -1.25 -0.10 0.00 -0.55 0.00 0.00 41.25 39.35 1two s ASN 72 CO 0.00 -0.16 1.55 0.00 -2.79 0.00 0.00 177.10 175.70 1two s ALA 73 N -0.61 3.76 1.18 1.71 0.00 -0.63 -3.23 121.76 123.95 1two s ALA 73 Ca 0.24 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 1two s ALA 73 Cb -0.10 -3.61 0.30 0.00 0.00 0.00 0.00 23.12 19.71 1two s ALA 73 CO -0.12 -0.77 1.02 0.21 0.00 0.00 0.00 175.76 176.10 1two s LYS 74 N 0.96 -1.08 0.00 0.00 2.47 -1.26 -4.81 119.74 116.01 1two s LYS 74 Ca 0.69 0.86 0.08 0.00 -1.56 0.00 0.00 55.97 56.04 1two s LYS 74 Cb -0.43 -1.53 0.50 0.00 -1.46 0.00 0.00 37.83 34.90 1two s LYS 74 CO 0.33 -3.84 1.03 -3.47 0.16 0.00 0.00 175.35 169.55 1two n ASP 75 N -5.00 0.00 -0.07 1.43 2.03 -1.26 -2.03 116.55 111.64 1two n ASP 75 Ca 0.03 -1.00 -0.06 0.00 0.52 0.00 0.00 54.79 54.28 1two n ASP 75 Cb 0.54 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.82 1two n ASP 75 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1two n PHE 76 N -0.71 0.00 0.00 -0.67 3.72 -1.26 -4.36 117.46 114.18 1two n PHE 76 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1two n PHE 76 Cb 0.03 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1two n PHE 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1two n ALA 77 N -2.52 -0.10 -0.46 4.37 0.00 -0.86 -0.93 120.51 120.00 1two n ALA 77 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 1two n ALA 77 Cb 0.94 0.00 -0.04 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 -0.94 0.92 0.09 0.00 0.00 -1.24 -3.06 117.12 112.89 1two n MET 78 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.49 1two n MET 78 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 31.86 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 1.94 0.00 0.00 3.17 0.00 -1.22 -4.53 118.16 117.53 1two n LYS 79 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.46 1two n LYS 79 Cb 0.44 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.75 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 -3.03 0.00 -2.72 5.64 1.44 -0.11 -2.74 115.22 113.69 1two n HIS 80 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1two n HIS 80 Cb 0.00 -0.32 0.09 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 -0.35 1.76 3.22 -1.39 0.00 -1.20 -5.09 105.19 102.15 1two n GLY 81 Ca 0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.41 1.36 0.02 4.61 0.00 -1.11 -4.90 121.76 120.34 1two s ALA 82 Ca 0.19 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1two s ALA 82 Cb 0.41 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 1two s ALA 82 CO -0.07 0.06 0.31 0.16 0.00 0.00 0.00 175.76 176.22 1two s ASP 83 N -2.42 6.56 0.51 0.00 -4.77 -1.26 -4.86 116.67 110.43 1two s ASP 83 Ca 0.07 0.66 0.37 0.00 -3.30 0.00 0.00 52.55 50.35 1two s ASP 83 Cb -0.04 -2.13 1.52 0.00 -1.09 0.00 0.00 42.92 41.18 1two s ASP 83 CO 0.02 0.25 1.71 -0.33 0.70 0.00 0.00 175.17 177.52 1two h GLU 84 N 4.05 0.06 -0.08 2.11 5.08 -2.00 1.02 114.58 124.82 1two h GLU 84 Ca -0.50 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.67 1two h GLU 84 Cb 1.20 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1two h GLU 84 CO 0.65 0.04 -0.68 0.00 -1.00 0.00 0.00 179.01 178.03 1two h THR 85 N 0.07 1.34 -0.19 1.13 1.03 -2.01 -3.07 112.91 111.21 1two h THR 85 Ca 0.71 -1.98 0.05 0.00 -0.01 0.00 0.00 66.41 65.18 1two h THR 85 Cb 2.60 2.26 -0.01 0.00 -1.07 0.00 0.00 68.15 71.93 1two h THR 85 CO -0.12 0.60 0.30 0.00 -0.01 0.00 0.00 175.52 176.30 1two h MET 86 N 0.21 0.00 0.30 0.00 -0.00 0.69 1.59 114.93 117.72 1two h MET 86 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 1two h MET 86 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.93 1two h MET 86 CO 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 176.91 176.88 1two h ALA 87 N 1.57 -0.43 0.06 -3.00 0.00 -1.34 -2.16 119.26 113.97 1two h ALA 87 Ca 0.09 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1two h ALA 87 Cb 0.70 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1two h ALA 87 CO -0.00 -0.75 -1.81 0.94 0.00 0.00 0.00 179.25 177.63 1two n GLN 88 N -5.29 0.67 -0.28 0.00 0.00 -0.36 -4.13 117.38 107.98 1two n GLN 88 Ca -0.10 0.37 -0.11 0.00 -0.00 0.00 0.00 57.00 57.16 1two n GLN 88 Cb 0.20 -1.69 -0.08 0.00 0.00 0.00 0.00 30.24 28.67 1two n GLN 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1two h GLN 89 N -0.41 -0.18 -0.84 3.69 1.08 0.21 0.54 115.11 119.21 1two h GLN 89 Ca -0.43 0.01 0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1two h GLN 89 Cb 1.73 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 29.06 1two h GLN 89 CO -0.08 -0.12 0.14 -0.07 -0.95 0.00 0.00 178.83 177.75 1two h LEU 90 N -0.19 -0.16 -1.24 1.46 4.07 -1.55 2.87 115.31 120.57 1two h LEU 90 Ca 0.14 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1two h LEU 90 Cb 0.51 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1two h LEU 90 CO -0.78 -0.18 0.31 0.58 -1.08 0.00 0.00 178.44 177.29 1two h VAL 91 N 0.16 0.00 0.01 1.22 2.07 -0.07 1.75 116.25 121.39 1two h VAL 91 Ca 0.50 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.02 1two h VAL 91 Cb 0.98 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1two h VAL 91 CO -0.68 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 177.35 1two h ASP 92 N 0.00 -0.01 -0.16 0.57 5.19 0.54 -2.98 116.42 119.58 1two h ASP 92 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1two h ASP 92 Cb 0.61 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 1two h ASP 92 CO 0.00 0.03 -0.03 0.16 -3.12 0.00 0.00 179.24 176.28 1two h ILE 93 N -0.09 1.28 -0.37 0.35 -2.65 -1.28 -2.21 117.51 112.54 1two h ILE 93 Ca -0.00 -0.95 0.11 0.00 1.03 0.00 0.00 64.86 65.05 1two h ILE 93 Cb 0.01 1.60 -0.01 0.00 -2.05 0.00 0.00 36.82 36.36 1two h ILE 93 CO 0.00 0.28 0.50 0.40 0.03 0.00 0.00 178.15 179.36 1two h ILE 94 N 0.00 0.26 0.01 0.16 2.04 0.24 1.59 117.51 121.81 1two h ILE 94 Ca 0.04 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.70 1two h ILE 94 Cb 0.44 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1two h ILE 94 CO 0.01 0.00 -0.88 0.45 0.00 0.00 0.00 178.15 177.73 1two h HIS 95 N 0.00 0.24 0.00 1.37 3.86 -1.24 0.25 115.15 119.63 1two h HIS 95 Ca 0.18 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 1two h HIS 95 Cb 1.17 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1two h HIS 95 CO 0.00 0.96 -1.15 0.78 0.86 0.00 0.00 177.93 179.38 1two h GLY 96 N 1.98 0.00 0.00 2.45 0.00 0.20 -3.19 103.07 104.52 1two h GLY 96 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1two h GLY 96 CO 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.46 1two h GLU 98 N -0.58 0.21 -0.03 0.00 4.81 -0.71 3.20 114.58 121.48 1two h GLU 98 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1two h GLU 98 Cb 0.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1two h GLU 98 CO 0.00 0.14 -0.60 1.57 -0.73 0.00 0.00 179.01 179.38 1two h LYS 99 N 0.21 0.09 -0.01 1.92 2.10 -1.68 -2.73 116.57 116.47 1two h LYS 99 Ca 0.70 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 1two h LYS 99 Cb 2.10 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.44 1two h LYS 99 CO -0.32 0.67 -0.55 0.45 -2.00 0.00 0.00 179.45 177.69 1two n SER 100 N -3.84 1.22 -4.00 7.07 2.88 0.81 -4.57 113.62 113.19 1two n SER 100 Ca -0.02 -0.98 -0.32 0.00 -1.33 0.00 0.00 58.87 56.22 1two n SER 100 Cb 0.61 0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 64.44 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 -2.71 3.86 1.03 -1.46 0.00 0.88 -5.03 121.76 118.32 1two s ALA 101 Ca 0.16 -3.69 -0.16 0.00 0.00 0.00 0.00 51.96 48.27 1two s ALA 101 Cb 0.18 -2.44 0.21 0.00 0.00 0.00 0.00 23.12 21.06 1two s ALA 101 CO 0.66 -2.11 1.19 -1.25 0.00 0.00 0.00 175.76 174.25 1two s PRO 102 N -1.08 0.17 0.00 0.00 0.04 -1.26 -4.68 135.00 128.19 1two s PRO 102 Ca 0.24 -0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 1two s PRO 102 Cb -0.10 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 1two s PRO 102 CO -0.11 -2.78 2.18 -0.35 0.04 0.00 0.00 177.00 175.98 1two n PRO 103 N -4.10 1.13 -1.88 0.56 -0.04 -1.26 -4.79 135.00 124.62 1two n PRO 103 Ca 0.12 -0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 62.80 1two n PRO 103 Cb 0.59 -1.51 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.13 5.84 0.66 3.54 3.84 -1.26 -4.83 114.94 124.85 1two s ASN 104 Ca 0.26 2.79 0.35 0.00 0.21 0.00 0.00 52.86 56.46 1two s ASN 104 Cb 0.12 -2.64 1.90 0.00 -0.55 0.00 0.00 41.25 40.08 1two s ASN 104 CO 0.00 -1.19 2.09 0.44 -2.79 0.00 0.00 177.10 175.65 1two h ASP 105 N 2.18 0.00 -0.11 -4.21 3.32 -2.05 0.99 116.42 116.53 1two h ASP 105 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1two h ASP 105 Cb 1.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 1two h ASP 105 CO 0.60 0.00 0.08 0.47 -1.72 0.00 0.00 179.24 178.67 1two n ASP 106 N -3.06 3.29 -0.48 6.45 9.92 -1.26 -4.41 116.55 127.00 1two n ASP 106 Ca -0.02 -2.22 0.42 0.00 -0.53 0.00 0.00 54.79 52.45 1two n ASP 106 Cb 0.28 -0.59 0.67 0.00 -0.64 0.00 0.00 41.12 40.84 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 0.20 0.00 0.17 -1.24 2.10 -1.14 2.50 116.57 119.15 1two h LYS 107 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1two h LYS 107 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1two h LYS 107 CO 0.13 0.00 -0.08 0.00 -2.00 0.00 0.00 179.45 177.50 1two n MET 109 N -5.14 0.13 -0.02 0.00 0.00 0.68 -3.72 117.12 109.04 1two n MET 109 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 57.70 57.62 1two n MET 109 Cb 0.15 -1.56 -0.00 0.00 0.00 0.00 0.00 33.22 31.81 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 -1.74 0.12 -0.33 3.17 0.00 0.68 -4.02 118.16 116.04 1two n LYS 110 Ca 0.04 0.32 0.17 0.00 0.00 0.00 0.00 58.31 58.84 1two n LYS 110 Cb 0.38 -1.00 0.34 0.00 0.00 0.00 0.00 35.03 34.75 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 -0.27 0.05 -0.73 3.15 2.02 0.82 1.16 112.91 119.11 1two h THR 111 Ca 0.00 -0.01 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1two h THR 111 Cb 0.14 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 66.44 1two h THR 111 CO 0.00 0.01 0.05 -0.29 0.37 0.00 0.00 175.52 175.65 1two h ILE 112 N 0.03 0.40 -0.89 3.11 -0.00 -1.64 1.88 117.51 120.40 1two h ILE 112 Ca 0.63 -0.05 0.14 0.00 -0.00 0.00 0.00 64.86 65.59 1two h ILE 112 Cb 1.38 0.25 -0.15 0.00 -0.00 0.00 0.00 36.82 38.30 1two h ILE 112 CO -0.87 0.03 -0.36 -0.78 -0.00 0.00 0.00 178.15 176.16 1two h ASP 113 N 0.14 -1.33 0.00 2.19 1.82 0.13 1.96 116.42 121.33 1two h ASP 113 Ca 0.40 0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 57.33 1two h ASP 113 Cb 0.70 0.70 -0.00 0.00 0.68 0.00 0.00 39.33 41.41 1two h ASP 113 CO -0.61 -0.29 -0.04 0.58 -1.61 0.00 0.00 179.24 177.27 1two h VAL 114 N -0.04 0.58 -0.65 2.25 2.07 -0.76 0.43 116.25 120.13 1two h VAL 114 Ca 0.32 -1.44 0.19 0.00 0.82 0.00 0.00 66.70 66.59 1two h VAL 114 Cb 0.59 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1two h VAL 114 CO -0.91 0.20 0.98 0.00 0.02 0.00 0.00 177.57 177.86 1two h ALA 115 N -0.68 2.51 0.00 1.67 0.00 0.33 0.88 119.26 123.97 1two h ALA 115 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1two h ALA 115 Cb 0.35 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1two h ALA 115 CO -0.00 -1.31 -2.25 -0.12 0.00 0.00 0.00 179.25 175.56 1two n MET 116 N -3.15 0.75 -0.38 0.00 0.00 0.66 -4.05 117.12 110.95 1two n MET 116 Ca 0.14 0.08 -0.01 0.00 -0.00 0.00 0.00 57.70 57.91 1two n MET 116 Cb 1.19 -1.45 0.04 0.00 0.00 0.00 0.00 33.22 33.00 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 -0.00 0.61 -0.26 0.00 3.57 -1.67 -2.57 116.94 116.62 1two h PHE 118 Ca 0.34 -0.12 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 1two h PHE 118 Cb 0.60 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1two h PHE 118 CO -0.87 0.71 -0.38 -0.22 -2.23 0.00 0.00 178.31 175.32 1two h LYS 119 N 0.50 0.58 -0.25 1.11 3.64 0.19 -2.46 116.57 119.89 1two h LYS 119 Ca 0.08 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1two h LYS 119 Cb 0.61 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1two h LYS 119 CO 0.04 0.87 0.17 1.57 -2.27 0.00 0.00 179.45 179.83 1two h LYS 120 N 0.49 0.13 0.00 1.90 2.10 0.60 0.17 116.57 121.96 1two h LYS 120 Ca 0.05 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1two h LYS 120 Cb 0.88 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1two h LYS 120 CO 0.08 0.09 -0.02 0.93 -2.00 0.00 0.00 179.45 178.52 1two h GLU 121 N 0.13 0.00 0.19 0.07 4.39 -1.28 -1.51 114.58 116.58 1two h GLU 121 Ca 0.11 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.49 1two h GLU 121 Cb 0.27 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1two h GLU 121 CO -0.01 0.02 -1.52 0.82 -1.16 0.00 0.00 179.01 177.15 1two h ILE 122 N 0.00 1.20 0.00 3.13 1.08 -0.77 -3.23 117.51 118.93 1two h ILE 122 Ca -0.00 -2.74 0.00 0.00 -0.39 0.00 0.00 64.86 61.73 1two h ILE 122 Cb 0.04 2.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1two h ILE 122 CO 0.00 0.84 0.58 0.45 -0.69 0.00 0.00 178.15 179.33 1two h HIS 123 N 0.11 0.00 -0.74 1.37 3.86 -0.67 2.57 115.15 121.64 1two h HIS 123 Ca -0.26 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.64 1two h HIS 123 Cb 2.09 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 30.37 1two h HIS 123 CO 0.10 0.00 0.40 0.36 0.86 0.00 0.00 177.93 179.64 1two n LYS 124 N -2.62 2.73 0.00 2.45 2.85 -1.18 -4.58 118.16 117.81 1two n LYS 124 Ca -0.01 -2.60 0.00 0.00 -1.05 0.00 0.00 58.31 54.65 1two n LYS 124 Cb 0.61 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 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 -0.48 0.00 -0.56 -5.58 -0.00 0.86 -3.99 117.00 107.25 1two n LEU 125 Ca 0.43 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.55 1two n LEU 125 Cb 1.37 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.87 1two n LEU 125 CO 0.45 0.00 0.43 -3.20 -0.00 0.00 0.00 177.39 175.07 1two n ASN 126 N 0.00 2.09 -4.89 1.45 5.15 -1.26 -4.92 115.26 112.88 1two n ASN 126 Ca 0.00 -1.54 -0.30 0.00 -0.60 0.00 0.00 54.58 52.14 1two n ASN 126 Cb 0.00 0.33 -0.04 0.00 -0.53 0.00 0.00 39.78 39.54 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 -2.37 3.46 -0.26 1.20 0.51 -1.26 -5.07 118.94 115.15 1two s TRP 127 Ca 0.22 0.82 -0.06 0.00 -2.12 0.00 0.00 56.10 54.95 1two s TRP 127 Cb 0.19 -2.24 -0.00 0.00 -0.81 0.00 0.00 33.47 30.60 1two s TRP 127 CO 0.51 0.10 0.04 0.14 -0.51 0.00 0.00 176.95 177.23 1two s VAL 128 N -2.12 3.86 -0.27 4.03 -7.23 -1.26 -4.59 120.40 112.81 1two s VAL 128 Ca 0.47 -0.53 -0.05 0.00 -1.81 0.00 0.00 61.98 60.05 1two s VAL 128 Cb -0.11 -2.89 -0.17 0.00 0.56 0.00 0.00 36.38 33.77 1two s VAL 128 CO 0.28 0.23 2.78 -0.81 -0.31 0.00 0.00 175.10 177.27 1two n PRO 129 N 4.85 1.79 -0.61 4.82 -0.04 -1.26 -4.58 135.00 139.98 1two n PRO 129 Ca -0.16 -0.98 0.48 0.00 -0.04 0.00 0.00 63.50 62.80 1two n PRO 129 Cb 0.49 -2.04 0.74 0.00 -0.04 0.00 0.00 33.50 32.65 1two n PRO 129 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1two n ASN 130 N 2.91 0.00 -4.41 3.54 5.15 -1.26 -3.34 115.26 117.86 1two n ASN 130 Ca 0.38 0.94 -0.44 0.00 -0.60 0.00 0.00 54.58 54.87 1two n ASN 130 Cb 0.58 -0.44 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 1two n ASN 130 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1two s MET 131 N -4.76 3.08 -0.11 1.20 1.75 -1.26 -5.01 119.30 114.18 1two s MET 131 Ca -0.04 -1.13 0.03 0.00 -1.25 0.00 0.00 55.69 53.30 1two s MET 131 Cb 0.24 -4.22 0.01 0.00 2.84 0.00 0.00 34.83 33.70 1two s MET 131 CO 0.80 -1.53 -0.19 0.16 -0.65 0.00 0.00 175.02 173.61 1two s ASP 132 N 3.45 2.71 -0.36 1.11 -4.77 -1.21 -4.76 116.67 112.84 1two s ASP 132 Ca 0.15 -0.49 -0.33 0.00 -3.30 0.00 0.00 52.55 48.58 1two s ASP 132 Cb -0.22 -1.24 -0.14 0.00 -1.09 0.00 0.00 42.92 40.24 1two s ASP 132 CO 0.08 0.07 1.36 0.00 0.70 0.00 0.00 175.17 177.39 1two n LEU 133 N 3.93 0.70 -0.20 2.11 -0.00 -1.26 -4.75 117.00 117.51 1two n LEU 133 Ca -0.20 0.66 0.02 0.00 -0.00 0.00 0.00 56.01 56.50 1two n LEU 133 Cb 0.52 -0.64 0.04 0.00 -0.00 0.00 0.00 43.42 43.34 1two n LEU 133 CO 0.26 -0.58 0.46 0.55 -0.00 0.00 0.00 177.39 178.08 1two n VAL 134 N 3.83 0.61 0.91 1.47 3.14 -1.26 -4.42 118.33 122.61 1two n VAL 134 Ca 0.31 -0.81 0.10 0.00 -2.96 0.00 0.00 64.34 60.99 1two n VAL 134 Cb -0.04 0.73 -0.01 0.00 -1.06 0.00 0.00 33.84 33.46 1two n VAL 134 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1two n ILE 135 N 0.01 0.00 -1.40 1.55 -0.00 -1.26 -4.95 119.36 113.31 1two n ILE 135 Ca 0.03 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1two n ILE 135 Cb 0.23 1.23 0.00 0.00 -0.00 0.00 0.00 39.64 41.10 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 1.34 0.79 3.44 3.28 0.00 -1.26 -5.06 105.19 107.72 1two n GLY 136 Ca 0.08 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.04 3.00 -0.09 1.61 2.02 -1.26 -5.08 118.70 115.86 1two s GLU 137 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1two s GLU 137 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 1two s GLU 137 CO 0.00 0.42 1.31 0.14 0.02 0.00 0.00 175.26 177.16 1two s VAL 138 N -0.19 4.09 0.00 2.63 -7.23 -1.26 -4.38 120.40 114.06 1two s VAL 138 Ca 0.00 1.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.55 1two s VAL 138 Cb -0.13 -3.89 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1two s VAL 138 CO 0.03 -0.07 0.00 0.00 -0.31 0.00 0.00 175.10 174.76 1two n LEU 139 N 6.04 0.00 -4.74 1.32 -0.00 -1.26 -5.13 117.00 113.22 1two n LEU 139 Ca 0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.91 1two n LEU 139 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.81 1two n LEU 139 CO 0.57 -0.00 -0.19 0.00 -0.00 0.00 0.00 177.39 177.77 1two s ALA 140 N -1.12 3.54 -0.89 1.47 0.00 -1.26 -4.95 121.76 118.55 1two s ALA 140 Ca 0.00 -1.82 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 1two s ALA 140 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1two s ALA 140 CO 0.00 0.02 1.81 -2.00 0.00 0.00 0.00 175.76 175.59 1two s GLU 141 N -3.86 2.80 0.00 0.00 -6.30 -1.26 -4.63 118.70 105.45 1two s GLU 141 Ca 0.38 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.50 1two s GLU 141 Cb -0.03 -5.01 0.00 0.00 0.00 0.00 0.00 34.13 29.09 1two s GLU 141 CO 0.23 -3.01 0.00 0.28 0.02 0.00 0.00 175.26 172.78