#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ith s LEU 2 N 0.00 4.20 0.29 0.99 1.02 -1.26 -4.98 118.68 118.93 1ith s LEU 2 Ca 0.00 0.79 0.07 0.00 0.02 0.00 0.00 54.13 55.01 1ith s LEU 2 Cb 0.00 -2.78 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 1ith s LEU 2 CO 0.00 -0.15 0.30 0.42 0.02 0.00 0.00 176.35 176.94 1ith s THR 3 N 1.36 4.21 0.61 5.49 -4.23 -1.26 -4.98 115.64 116.84 1ith s THR 3 Ca 0.27 -1.26 0.31 0.00 -1.18 0.00 0.00 61.69 59.83 1ith s THR 3 Cb -0.16 -3.41 0.36 0.00 1.34 0.00 0.00 72.50 70.64 1ith s THR 3 CO 0.11 -0.26 2.10 0.00 -0.54 0.00 0.00 174.62 176.03 1ith h ALA 4 N 1.26 1.67 -0.05 3.99 0.00 -1.99 -1.57 119.26 122.57 1ith h ALA 4 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1ith h ALA 4 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ith h ALA 4 CO 0.59 -0.28 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 1ith h ALA 5 N 1.73 0.08 -0.49 0.00 0.00 -1.99 -1.77 119.26 116.82 1ith h ALA 5 Ca 0.07 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1ith h ALA 5 Cb 0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1ith h ALA 5 CO -0.00 -0.06 0.21 1.96 0.00 0.00 0.00 179.25 181.36 1ith h GLN 6 N -0.35 0.40 -0.21 0.00 4.20 -1.70 0.52 115.11 117.97 1ith h GLN 6 Ca 0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1ith h GLN 6 Cb 0.68 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1ith h GLN 6 CO 0.02 0.26 -0.08 0.82 -0.67 0.00 0.00 178.83 179.19 1ith h ILE 7 N 0.41 1.18 -0.13 2.54 2.04 -1.37 -1.36 117.51 120.82 1ith h ILE 7 Ca 0.23 -0.74 -0.23 0.00 1.00 0.00 0.00 64.86 65.11 1ith h ILE 7 Cb 0.19 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1ith h ILE 7 CO -0.20 0.24 -0.81 0.50 0.00 0.00 0.00 178.15 177.88 1ith h LYS 8 N 0.31 0.79 0.17 2.37 3.64 -0.57 -1.63 116.57 121.65 1ith h LYS 8 Ca 0.07 -0.67 0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1ith h LYS 8 Cb 0.34 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1ith h LYS 8 CO 0.02 1.27 -0.35 0.00 -2.27 0.00 0.00 179.45 178.12 1ith h ALA 9 N 0.53 -0.63 0.47 5.00 0.00 -0.52 0.07 119.26 124.18 1ith h ALA 9 Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ith h ALA 9 Cb 1.44 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1ith h ALA 9 CO 0.17 -0.91 -0.28 0.82 0.00 0.00 0.00 179.25 179.05 1ith h ILE 10 N -0.61 0.42 -0.96 0.00 2.04 -1.31 -2.65 117.51 114.45 1ith h ILE 10 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1ith h ILE 10 Cb 0.61 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1ith h ILE 10 CO -0.17 0.00 0.63 1.56 0.00 0.00 0.00 178.15 180.16 1ith h GLN 11 N -0.72 1.17 -0.47 2.37 4.20 -1.05 -0.50 115.11 120.12 1ith h GLN 11 Ca -0.05 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1ith h GLN 11 Cb 0.58 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1ith h GLN 11 CO 0.06 0.78 -0.15 -0.44 -0.67 0.00 0.00 178.83 178.41 1ith h ASP 12 N 1.21 0.94 -0.53 1.46 3.32 -0.99 -1.43 116.42 120.40 1ith h ASP 12 Ca 0.38 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ith h ASP 12 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1ith h ASP 12 CO -0.12 1.10 0.09 -0.74 -1.72 0.00 0.00 179.24 177.85 1ith h HIS 13 N 0.77 0.93 -0.56 4.55 2.76 -1.19 -1.52 115.15 120.89 1ith h HIS 13 Ca 0.11 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ith h HIS 13 Cb 0.71 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1ith h HIS 13 CO 0.05 0.83 0.30 2.35 -1.30 0.00 0.00 177.93 180.16 1ith h TRP 14 N 0.76 0.79 -0.51 5.26 2.91 -0.96 0.76 115.95 124.95 1ith h TRP 14 Ca 0.16 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.09 1ith h TRP 14 Cb 0.40 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 1ith h TRP 14 CO 0.03 0.58 0.05 0.35 -1.03 0.00 0.00 178.44 178.42 1ith h PHE 15 N 0.76 0.87 -0.07 2.65 3.57 -1.17 0.23 116.94 123.79 1ith h PHE 15 Ca 0.20 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1ith h PHE 15 Cb 0.07 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 1ith h PHE 15 CO -0.01 0.78 -0.11 1.25 -2.23 0.00 0.00 178.31 177.98 1ith h LEU 16 N 0.78 0.23 0.00 0.59 5.85 -0.38 -3.39 115.31 118.99 1ith h LEU 16 Ca 0.16 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1ith h LEU 16 Cb 0.41 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1ith h LEU 16 CO 0.01 0.72 -0.49 0.59 -0.34 0.00 0.00 178.44 178.93 1ith n ASN 17 N -4.65 2.20 -0.06 1.25 3.02 0.18 -4.82 115.26 112.38 1ith n ASN 17 Ca -0.08 -0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.06 1ith n ASN 17 Cb 0.35 1.02 -0.04 0.00 -0.61 0.00 0.00 39.78 40.49 1ith n ASN 17 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1ith n ILE 18 N -1.25 0.95 -0.35 2.41 2.08 -0.82 -4.65 119.36 117.73 1ith n ILE 18 Ca 0.00 -0.10 0.07 0.00 0.56 0.00 0.00 62.75 63.29 1ith n ILE 18 Cb 0.02 -1.77 0.24 0.00 -0.75 0.00 0.00 39.64 37.38 1ith n ILE 18 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1ith h LYS 19 N -0.53 0.90 0.00 0.38 1.63 -0.75 -1.39 116.57 116.80 1ith h LYS 19 Ca -0.29 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1ith h LYS 19 Cb 1.14 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1ith h LYS 19 CO -0.18 0.59 0.00 0.78 -3.45 0.00 0.00 179.45 177.20 1ith h GLY 20 N 0.92 0.00 -5.74 5.01 0.00 -1.83 -3.32 103.07 98.11 1ith h GLY 20 Ca 0.49 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.36 1ith h GLY 20 CO -0.28 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.29 1ith h LEU 22 N 3.77 0.56 -1.11 0.00 3.38 -1.57 -2.94 115.31 117.41 1ith h LEU 22 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ith h LEU 22 Cb 0.94 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1ith h LEU 22 CO 0.42 0.55 0.54 -0.61 0.09 0.00 0.00 178.44 179.44 1ith h GLN 23 N 0.61 1.14 -0.31 1.13 5.75 -1.94 -0.61 115.11 120.89 1ith h GLN 23 Ca 0.14 -0.09 -0.16 0.00 -0.15 0.00 0.00 58.65 58.40 1ith h GLN 23 Cb 0.20 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1ith h GLN 23 CO -0.01 0.78 -0.43 0.00 -2.65 0.00 0.00 178.83 176.52 1ith h ALA 24 N 1.43 0.47 -0.40 3.38 0.00 -1.91 0.14 119.26 122.37 1ith h ALA 24 Ca 0.31 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1ith h ALA 24 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ith h ALA 24 CO -0.06 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.80 1ith h ALA 25 N 0.70 0.54 0.12 0.00 0.00 -1.49 -1.99 119.26 117.15 1ith h ALA 25 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ith h ALA 25 Cb 1.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ith h ALA 25 CO 0.10 0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 1ith h ALA 26 N 0.89 -0.16 -0.65 0.00 0.00 -0.85 -0.80 119.26 117.69 1ith h ALA 26 Ca 0.12 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ith h ALA 26 Cb 0.47 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1ith h ALA 26 CO 0.02 -0.55 0.26 -0.44 0.00 0.00 0.00 179.25 178.55 1ith h ASP 27 N -0.24 0.28 0.49 0.00 3.32 -0.98 -1.31 116.42 117.98 1ith h ASP 27 Ca -0.02 0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 1ith h ASP 27 Cb 0.20 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1ith h ASP 27 CO 0.03 0.15 -0.85 0.28 -1.72 0.00 0.00 179.24 177.13 1ith h SER 28 N 0.45 0.32 -0.06 6.45 0.02 -1.19 0.82 113.55 120.37 1ith h SER 28 Ca 0.33 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1ith h SER 28 Cb 0.41 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ith h SER 28 CO -0.31 1.03 0.02 0.40 -1.14 0.00 0.00 176.83 176.83 1ith h ILE 29 N 0.15 1.18 -0.06 3.27 2.04 -0.78 -0.94 117.51 122.36 1ith h ILE 29 Ca -0.05 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 1ith h ILE 29 Cb 1.47 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1ith h ILE 29 CO 0.13 0.15 -0.56 -0.26 0.00 0.00 0.00 178.15 177.62 1ith h PHE 30 N -0.11 0.23 -0.05 1.37 0.04 -1.26 -2.03 116.94 115.14 1ith h PHE 30 Ca 0.02 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ith h PHE 30 Cb 0.22 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1ith h PHE 30 CO -0.00 0.70 0.03 0.35 -0.60 0.00 0.00 178.31 178.78 1ith h PHE 31 N 0.14 0.07 -0.63 -0.55 3.57 -0.73 0.24 116.94 119.05 1ith h PHE 31 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1ith h PHE 31 Cb 1.02 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1ith h PHE 31 CO 0.01 0.12 0.41 -0.22 -2.23 0.00 0.00 178.31 176.41 1ith h LYS 32 N -0.01 0.63 0.39 1.11 1.63 -1.02 -0.03 116.57 119.27 1ith h LYS 32 Ca 0.02 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1ith h LYS 32 Cb 0.08 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1ith h LYS 32 CO -0.00 0.42 -0.19 -0.92 -3.45 0.00 0.00 179.45 175.31 1ith h TYR 33 N 0.65 -0.49 0.00 1.91 3.20 -0.94 -2.15 116.97 119.15 1ith h TYR 33 Ca 0.27 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1ith h TYR 33 Cb 0.22 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1ith h TYR 33 CO -0.00 -0.22 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.07 1ith h LEU 34 N -0.68 0.00 -0.09 2.82 4.07 -0.29 0.39 115.31 121.53 1ith h LEU 34 Ca -0.05 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 1ith h LEU 34 Cb 0.49 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.23 1ith h LEU 34 CO 0.09 0.16 -0.48 0.74 -1.08 0.00 0.00 178.44 177.87 1ith h THR 35 N 0.00 1.38 -0.04 0.22 2.02 -1.03 -2.95 112.91 112.51 1ith h THR 35 Ca -0.00 -1.83 -0.15 0.00 0.77 0.00 0.00 66.41 65.20 1ith h THR 35 Cb 0.54 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1ith h THR 35 CO 0.02 0.54 -0.65 0.00 0.37 0.00 0.00 175.52 175.81 1ith h ALA 36 N 0.45 0.84 -2.16 6.16 0.00 -0.80 -3.37 119.26 120.38 1ith h ALA 36 Ca -0.04 -0.58 -0.58 0.00 0.00 0.00 0.00 54.91 53.72 1ith h ALA 36 Cb 1.13 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.42 1ith h ALA 36 CO 0.10 0.77 -0.75 0.66 0.00 0.00 0.00 179.25 180.03 1ith n TYR 37 N -3.82 2.69 0.21 0.00 4.01 0.13 -4.97 117.16 115.40 1ith n TYR 37 Ca -0.02 -3.98 0.05 0.00 -0.16 0.00 0.00 57.90 53.78 1ith n TYR 37 Cb 0.64 -0.49 0.45 0.00 -0.31 0.00 0.00 39.34 39.63 1ith n TYR 37 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ith h PRO 38 N 3.78 0.00 0.00 -0.72 0.13 -1.69 -2.65 132.00 130.86 1ith h PRO 38 Ca 0.15 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 1ith h PRO 38 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1ith h PRO 38 CO 0.73 0.27 -0.21 0.78 -0.23 0.00 0.00 178.00 179.35 1ith h GLY 39 N 0.87 0.00 1.52 1.56 0.00 -1.93 -2.70 103.07 102.38 1ith h GLY 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ith h GLY 39 CO 0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.80 1ith n ASP 40 N -3.78 0.00 0.24 0.19 9.92 -1.00 -1.60 116.55 120.52 1ith n ASP 40 Ca -0.02 -0.02 0.12 0.00 -0.53 0.00 0.00 54.79 54.34 1ith n ASP 40 Cb 0.31 -0.26 0.74 0.00 -0.64 0.00 0.00 41.12 41.27 1ith n ASP 40 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1ith h LEU 41 N 0.00 0.00 -1.43 0.64 5.85 -1.66 -1.50 115.31 117.22 1ith h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ith h LEU 41 Cb 0.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1ith h LEU 41 CO 0.00 0.00 0.30 0.00 -0.34 0.00 0.00 178.44 178.40 1ith h ALA 42 N 1.96 1.57 -0.26 1.25 0.00 -1.55 -0.72 119.26 121.51 1ith h ALA 42 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ith h ALA 42 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ith h ALA 42 CO -0.00 0.37 0.20 0.74 0.00 0.00 0.00 179.25 180.56 1ith h PHE 43 N 0.71 0.00 -2.34 0.00 0.04 -1.50 -3.32 116.94 110.53 1ith h PHE 43 Ca 0.19 0.00 -0.77 0.00 2.80 0.00 0.00 57.97 60.18 1ith h PHE 43 Cb -0.02 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.92 1ith h PHE 43 CO 0.00 0.00 1.28 1.19 -0.60 0.00 0.00 178.31 180.18 1ith n PHE 44 N -4.29 3.78 0.05 -0.55 3.72 -0.28 -4.87 117.46 115.03 1ith n PHE 44 Ca 0.03 -3.11 0.20 0.00 -0.05 0.00 0.00 57.45 54.52 1ith n PHE 44 Cb 0.35 -1.82 0.72 0.00 -0.94 0.00 0.00 39.48 37.80 1ith n PHE 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ith h HIS 45 N 6.22 0.00 -0.16 1.38 3.86 -1.80 0.35 115.15 125.01 1ith h HIS 45 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1ith h HIS 45 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1ith h HIS 45 CO 1.07 0.00 0.00 0.36 0.86 0.00 0.00 177.93 180.22 1ith n LYS 46 N -4.19 1.40 -0.35 2.45 0.00 -1.26 -3.92 118.16 112.30 1ith n LYS 46 Ca 0.08 -0.62 0.00 0.00 -0.00 0.00 0.00 58.31 57.77 1ith n LYS 46 Cb 0.56 -1.18 0.00 0.00 -0.00 0.00 0.00 35.03 34.41 1ith n LYS 46 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1ith n PHE 47 N -0.03 0.00 0.39 5.58 1.16 0.10 -4.82 117.46 119.84 1ith n PHE 47 Ca 0.08 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.70 1ith n PHE 47 Cb 0.16 0.12 0.21 0.00 -1.61 0.00 0.00 39.48 38.35 1ith n PHE 47 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1ith n SER 48 N 0.00 0.00 -0.72 5.98 3.41 0.05 -1.54 113.62 120.80 1ith n SER 48 Ca 0.00 0.19 0.08 0.00 -0.26 0.00 0.00 58.87 58.88 1ith n SER 48 Cb 0.56 -0.30 0.09 0.00 -0.26 0.00 0.00 64.21 64.30 1ith n SER 48 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ith n SER 49 N -1.30 2.55 -4.73 4.04 7.64 -1.26 -4.84 113.62 115.72 1ith n SER 49 Ca 0.04 -1.75 -0.41 0.00 1.01 0.00 0.00 58.87 57.77 1ith n SER 49 Cb 0.07 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 1ith n SER 49 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ith s VAL 50 N -1.34 4.47 0.55 0.44 1.01 -0.59 -5.03 120.40 119.91 1ith s VAL 50 Ca 0.22 2.02 -0.18 0.00 0.00 0.00 0.00 61.98 64.04 1ith s VAL 50 Cb 0.15 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1ith s VAL 50 CO 0.21 0.35 1.06 -2.16 0.00 0.00 0.00 175.10 174.56 1ith s PRO 51 N -0.17 3.49 0.30 2.72 0.04 -1.26 -4.94 135.00 135.19 1ith s PRO 51 Ca 0.45 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1ith s PRO 51 Cb -0.23 -2.05 0.80 0.00 0.04 0.00 0.00 34.50 33.06 1ith s PRO 51 CO 0.29 -0.68 1.61 -0.07 0.04 0.00 0.00 177.00 178.19 1ith h LEU 52 N 0.93 -0.15 -0.24 -3.56 3.38 -1.98 0.17 115.31 113.86 1ith h LEU 52 Ca -0.48 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ith h LEU 52 Cb 1.22 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1ith h LEU 52 CO 0.58 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1ith n TYR 53 N -5.33 0.21 0.91 1.13 0.18 -1.26 -2.52 117.16 110.48 1ith n TYR 53 Ca 0.24 0.09 0.10 0.00 1.88 0.00 0.00 57.90 60.21 1ith n TYR 53 Cb 0.78 -0.64 -0.05 0.00 -0.38 0.00 0.00 39.34 39.05 1ith n TYR 53 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ith n GLY 54 N -0.37 -0.33 0.17 -7.48 0.00 0.60 -4.73 105.19 93.04 1ith n GLY 54 Ca 0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1ith n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ith h LEU 55 N 1.31 0.48 -2.26 0.99 3.38 -1.52 -3.04 115.31 114.64 1ith h LEU 55 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ith h LEU 55 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ith h LEU 55 CO 0.00 0.66 0.17 0.03 0.09 0.00 0.00 178.44 179.39 1ith h ARG 56 N 0.28 0.00 0.00 1.13 3.08 -1.85 0.77 114.38 117.79 1ith h ARG 56 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ith h ARG 56 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ith h ARG 56 CO 0.01 0.00 -1.69 0.45 -1.07 0.00 0.00 179.97 177.67 1ith n SER 57 N -2.85 0.26 -4.66 7.04 2.88 -1.18 -4.92 113.62 110.19 1ith n SER 57 Ca -0.02 0.07 -0.43 0.00 -1.33 0.00 0.00 58.87 57.16 1ith n SER 57 Cb 0.22 1.53 -0.02 0.00 -0.75 0.00 0.00 64.21 65.19 1ith n SER 57 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ith s ASN 58 N -4.72 6.84 0.42 -3.46 3.84 0.26 -4.94 114.94 113.19 1ith s ASN 58 Ca -0.05 1.82 0.16 0.00 0.21 0.00 0.00 52.86 54.99 1ith s ASN 58 Cb 0.13 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.34 1ith s ASN 58 CO 0.87 -0.83 1.90 -0.65 -2.79 0.00 0.00 177.10 175.60 1ith h PRO 59 N 8.69 0.41 0.06 0.43 0.11 -1.91 -2.61 132.00 137.17 1ith h PRO 59 Ca -0.30 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.55 1ith h PRO 59 Cb 1.12 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1ith h PRO 59 CO 0.97 0.27 -1.11 0.00 -0.21 0.00 0.00 178.00 177.93 1ith h ALA 60 N 1.63 0.24 -0.17 -0.75 0.00 -1.92 -2.66 119.26 115.63 1ith h ALA 60 Ca 0.39 -0.89 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1ith h ALA 60 Cb 0.91 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1ith h ALA 60 CO -0.13 1.11 -0.10 -0.92 0.00 0.00 0.00 179.25 179.20 1ith h TYR 61 N 0.04 -0.24 -0.29 0.00 3.20 -1.79 -1.98 116.97 115.91 1ith h TYR 61 Ca -0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 1ith h TYR 61 Cb 1.85 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 40.24 1ith h TYR 61 CO 0.03 -0.16 -0.08 0.87 -1.64 0.00 0.00 178.16 177.18 1ith h LYS 62 N -0.09 0.47 -0.16 1.82 1.57 -1.45 -0.71 116.57 118.01 1ith h LYS 62 Ca 0.10 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ith h LYS 62 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1ith h LYS 62 CO -0.23 0.56 0.03 0.00 -0.57 0.00 0.00 179.45 179.24 1ith h ALA 63 N 1.48 0.22 0.44 3.86 0.00 -1.14 -2.25 119.26 121.88 1ith h ALA 63 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ith h ALA 63 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ith h ALA 63 CO 0.02 -0.13 -0.21 0.37 0.00 0.00 0.00 179.25 179.30 1ith h GLN 64 N 0.06 -0.57 -0.45 0.00 5.75 -0.92 -1.17 115.11 117.81 1ith h GLN 64 Ca 0.05 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.67 1ith h GLN 64 Cb 0.29 0.13 -0.07 0.00 1.07 0.00 0.00 27.48 28.90 1ith h GLN 64 CO 0.00 -0.38 0.02 0.00 -2.65 0.00 0.00 178.83 175.82 1ith h THR 65 N -0.60 0.67 -0.31 2.39 1.03 -1.22 -1.49 112.91 113.38 1ith h THR 65 Ca -0.06 -0.05 -0.12 0.00 -0.01 0.00 0.00 66.41 66.18 1ith h THR 65 Cb 0.46 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.06 1ith h THR 65 CO 0.10 0.02 -0.28 0.25 -0.01 0.00 0.00 175.52 175.60 1ith h LEU 66 N 0.13 0.66 -1.38 0.00 5.85 -1.24 -1.62 115.31 117.71 1ith h LEU 66 Ca 0.22 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ith h LEU 66 Cb 0.32 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1ith h LEU 66 CO -0.36 0.91 0.44 0.74 -0.34 0.00 0.00 178.44 179.83 1ith h THR 67 N 0.56 1.12 0.25 1.05 2.02 -0.66 0.86 112.91 118.10 1ith h THR 67 Ca 0.07 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1ith h THR 67 Cb 0.77 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1ith h THR 67 CO 0.06 0.15 -0.12 0.58 0.37 0.00 0.00 175.52 176.56 1ith h VAL 68 N 0.83 0.74 0.00 3.16 2.07 -0.78 -3.09 116.25 119.18 1ith h VAL 68 Ca 0.26 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1ith h VAL 68 Cb 0.01 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1ith h VAL 68 CO -0.07 0.15 -0.28 -0.29 0.02 0.00 0.00 177.57 177.11 1ith h ILE 69 N -0.80 1.03 -0.61 4.57 6.09 -1.10 -0.67 117.51 126.02 1ith h ILE 69 Ca -0.03 -1.02 -0.04 0.00 -1.37 0.00 0.00 64.86 62.40 1ith h ILE 69 Cb 0.51 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 39.35 1ith h ILE 69 CO 0.06 0.28 0.23 -1.13 -3.07 0.00 0.00 178.15 174.51 1ith h ASN 70 N 0.00 0.86 -0.07 2.19 -1.24 -0.92 0.81 115.58 117.21 1ith h ASN 70 Ca -0.00 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 56.80 1ith h ASN 70 Cb 0.56 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 1ith h ASN 70 CO 0.04 0.80 -0.06 0.22 -1.29 0.00 0.00 177.43 177.14 1ith h TYR 71 N 0.86 0.19 -0.70 0.67 3.20 -1.14 -3.18 116.97 116.87 1ith h TYR 71 Ca 0.20 -0.06 0.12 0.00 3.14 0.00 0.00 58.73 62.14 1ith h TYR 71 Cb 0.22 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1ith h TYR 71 CO 0.01 0.60 0.46 1.25 -1.64 0.00 0.00 178.16 178.84 1ith h LEU 72 N -0.27 0.42 -0.48 2.82 5.85 -1.01 -0.68 115.31 121.96 1ith h LEU 72 Ca 0.01 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1ith h LEU 72 Cb 0.56 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1ith h LEU 72 CO 0.02 0.24 0.25 -0.78 -0.34 0.00 0.00 178.44 177.83 1ith h ASP 73 N 0.46 0.38 -0.08 1.25 3.58 -0.82 -0.20 116.42 120.99 1ith h ASP 73 Ca 0.33 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.71 1ith h ASP 73 Cb 0.66 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1ith h ASP 73 CO -0.10 0.27 -0.23 0.11 -2.88 0.00 0.00 179.24 176.40 1ith h LYS 74 N 0.50 0.50 0.00 0.28 1.57 -1.17 -1.39 116.57 116.87 1ith h LYS 74 Ca 0.21 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1ith h LYS 74 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1ith h LYS 74 CO -0.13 0.70 -0.33 -0.39 -0.57 0.00 0.00 179.45 178.73 1ith h VAL 75 N 0.44 0.67 -0.17 0.50 -1.51 -0.33 -2.85 116.25 113.01 1ith h VAL 75 Ca 0.07 -1.58 -0.03 0.00 -1.23 0.00 0.00 66.70 63.92 1ith h VAL 75 Cb 0.65 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 1ith h VAL 75 CO 0.05 0.33 -0.01 0.58 -1.23 0.00 0.00 177.57 177.28 1ith h VAL 76 N 0.00 1.26 -0.96 7.19 2.07 -0.08 -2.76 116.25 122.97 1ith h VAL 76 Ca -0.00 -0.89 0.25 0.00 0.82 0.00 0.00 66.70 66.88 1ith h VAL 76 Cb 1.03 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1ith h VAL 76 CO 0.04 0.27 0.66 0.44 0.02 0.00 0.00 177.57 178.99 1ith h ASP 77 N 0.04 0.25 -0.73 0.57 5.19 -1.08 -2.10 116.42 118.56 1ith h ASP 77 Ca 0.05 0.04 -0.38 0.00 -0.62 0.00 0.00 57.03 56.11 1ith h ASP 77 Cb 0.41 -0.01 -0.23 0.00 0.18 0.00 0.00 39.33 39.68 1ith h ASP 77 CO 0.01 0.08 0.34 0.00 -3.12 0.00 0.00 179.24 176.54 1ith n ALA 78 N -2.59 5.10 0.09 3.45 0.00 -1.06 -4.70 120.51 120.79 1ith n ALA 78 Ca 0.21 -3.04 -0.02 0.00 0.00 0.00 0.00 53.44 50.59 1ith n ALA 78 Cb 0.88 -1.15 0.23 0.00 0.00 0.00 0.00 19.45 19.41 1ith n ALA 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ith h LEU 79 N 1.04 0.27 -6.25 0.00 3.38 -1.15 -0.53 115.31 112.07 1ith h LEU 79 Ca 0.46 -0.11 -0.79 0.00 0.09 0.00 0.00 57.88 57.53 1ith h LEU 79 Cb 2.29 -0.07 -0.23 0.00 0.09 0.00 0.00 40.66 42.74 1ith h LEU 79 CO 0.82 0.64 1.37 0.61 0.09 0.00 0.00 178.44 181.96 1ith n GLY 80 N -0.23 5.67 0.00 0.83 0.00 -1.26 -4.72 105.19 105.48 1ith n GLY 80 Ca -0.01 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.56 1ith n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ith n GLY 81 N 0.79 0.54 1.77 -0.02 0.00 -1.09 -5.01 105.19 102.17 1ith n GLY 81 Ca 0.46 0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.71 1ith n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ith n ASN 82 N 0.00 4.08 -0.35 1.61 6.94 -1.17 -4.50 115.26 121.87 1ith n ASN 82 Ca 0.00 -3.00 0.17 0.00 -0.02 0.00 0.00 54.58 51.73 1ith n ASN 82 Cb 0.00 -0.71 0.38 0.00 -2.36 0.00 0.00 39.78 37.09 1ith n ASN 82 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ith h ALA 83 N 2.30 1.79 0.62 -2.53 0.00 -1.37 -1.14 119.26 118.93 1ith h ALA 83 Ca 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1ith h ALA 83 Cb 2.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1ith h ALA 83 CO 0.63 -0.24 -0.36 0.78 0.00 0.00 0.00 179.25 180.06 1ith h GLY 84 N 0.61 -0.99 1.62 0.00 0.00 -1.85 -1.32 103.07 101.15 1ith h GLY 84 Ca 0.63 0.40 0.00 0.00 0.00 0.00 0.00 47.33 48.36 1ith h GLY 84 CO -0.45 -0.35 0.25 0.00 0.00 0.00 0.00 176.54 175.98 1ith h ALA 85 N -0.60 1.72 -0.07 3.60 0.00 -1.58 -0.01 119.26 122.32 1ith h ALA 85 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1ith h ALA 85 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ith h ALA 85 CO 0.09 0.26 -0.67 -0.07 0.00 0.00 0.00 179.25 178.86 1ith h LEU 86 N 0.52 0.34 0.06 0.00 3.38 -1.02 0.45 115.31 119.04 1ith h LEU 86 Ca 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ith h LEU 86 Cb -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ith h LEU 86 CO -0.03 0.91 -0.03 0.24 0.09 0.00 0.00 178.44 179.62 1ith h MET 87 N 0.21 -0.08 -0.05 1.13 2.86 0.07 -3.20 114.93 115.87 1ith h MET 87 Ca -0.02 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1ith h MET 87 Cb 1.21 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1ith h MET 87 CO 0.11 0.33 -0.08 -0.22 1.06 0.00 0.00 176.91 178.11 1ith h LYS 88 N -0.50 0.07 0.00 1.72 3.64 -1.00 -1.52 116.57 118.98 1ith h LYS 88 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ith h LYS 88 Cb 0.44 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1ith h LYS 88 CO 0.01 0.15 0.05 0.00 -2.27 0.00 0.00 179.45 177.40 1ith n ALA 89 N -2.51 0.91 0.55 5.00 0.00 0.14 -1.33 120.51 123.26 1ith n ALA 89 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1ith n ALA 89 Cb 0.18 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 1ith n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ith n LYS 90 N -1.43 2.02 0.15 0.00 4.76 -0.57 -4.73 118.16 118.34 1ith n LYS 90 Ca 0.00 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.28 1ith n LYS 90 Cb 0.05 -1.20 -0.08 0.00 -1.84 0.00 0.00 35.03 31.96 1ith n LYS 90 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ith h VAL 91 N 0.00 0.79 -0.64 -0.18 2.07 -1.28 -3.17 116.25 113.84 1ith h VAL 91 Ca 0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1ith h VAL 91 Cb 0.39 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1ith h VAL 91 CO 0.00 0.07 0.36 1.55 0.02 0.00 0.00 177.57 179.58 1ith h PRO 92 N -0.52 0.66 -0.54 1.57 0.13 -1.85 0.01 132.00 131.46 1ith h PRO 92 Ca -0.04 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1ith h PRO 92 Cb 0.39 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 1ith h PRO 92 CO 0.06 0.44 0.17 0.66 -0.23 0.00 0.00 178.00 179.09 1ith h SER 93 N 0.68 0.74 0.96 1.44 4.64 -1.89 -2.05 113.55 118.08 1ith h SER 93 Ca 0.28 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1ith h SER 93 Cb 0.15 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1ith h SER 93 CO -0.16 0.70 -0.63 0.45 -0.87 0.00 0.00 176.83 176.32 1ith h HIS 94 N 0.78 0.00 -0.61 4.77 3.86 -1.42 -3.19 115.15 119.35 1ith h HIS 94 Ca 0.18 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1ith h HIS 94 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1ith h HIS 94 CO 0.01 0.63 -0.01 0.22 0.86 0.00 0.00 177.93 179.64 1ith h ASP 95 N 0.00 1.06 -0.01 2.45 3.58 -0.30 0.02 116.42 123.22 1ith h ASP 95 Ca -0.01 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1ith h ASP 95 Cb 1.28 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 1ith h ASP 95 CO 0.08 1.12 0.10 0.00 -2.88 0.00 0.00 179.24 177.66 1ith h ALA 96 N 0.99 1.17 -0.03 -0.78 0.00 -1.44 0.15 119.26 119.32 1ith h ALA 96 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ith h ALA 96 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ith h ALA 96 CO 0.03 -0.11 -0.16 -1.33 0.00 0.00 0.00 179.25 177.69 1ith n MET 97 N -3.12 1.96 -0.38 0.00 2.81 -0.96 -4.95 117.12 112.49 1ith n MET 97 Ca -0.02 -1.62 0.00 0.00 -1.81 0.00 0.00 57.70 54.24 1ith n MET 97 Cb 0.17 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1ith n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ith n GLY 98 N 1.37 0.77 3.37 3.03 0.00 0.54 -5.03 105.19 109.24 1ith n GLY 98 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1ith n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ith s ILE 99 N -2.26 5.01 0.60 -0.61 1.01 -0.05 -4.99 121.20 119.91 1ith s ILE 99 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1ith s ILE 99 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.53 1ith s ILE 99 CO 0.00 -0.53 0.87 0.42 0.00 0.00 0.00 174.94 175.70 1ith s THR 100 N 1.60 2.76 0.56 2.92 -4.23 -1.26 -3.08 115.64 114.90 1ith s THR 100 Ca 0.04 -0.43 0.42 0.00 -1.18 0.00 0.00 61.69 60.54 1ith s THR 100 Cb -0.23 -3.10 0.62 0.00 1.34 0.00 0.00 72.50 71.13 1ith s THR 100 CO 0.06 -0.08 1.67 -0.65 -0.54 0.00 0.00 174.62 175.07 1ith h PRO 101 N -0.17 0.00 -0.42 3.99 0.11 -1.96 -0.92 132.00 132.63 1ith h PRO 101 Ca -0.44 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1ith h PRO 101 Cb 1.30 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.32 1ith h PRO 101 CO 0.57 0.00 -0.18 -0.22 -0.21 0.00 0.00 178.00 177.95 1ith h LYS 102 N 0.00 -0.09 -0.16 1.05 3.64 -2.00 -1.89 116.57 117.12 1ith h LYS 102 Ca 0.72 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 60.12 1ith h LYS 102 Cb 2.97 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 34.80 1ith h LYS 102 CO -0.01 -0.06 0.07 0.45 -2.27 0.00 0.00 179.45 177.63 1ith h HIS 103 N -0.10 0.13 -0.45 1.91 3.86 -1.54 -1.79 115.15 117.17 1ith h HIS 103 Ca 0.20 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1ith h HIS 103 Cb 0.41 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1ith h HIS 103 CO -0.43 0.07 0.23 0.74 0.86 0.00 0.00 177.93 179.40 1ith h PHE 104 N 0.16 0.60 -0.36 2.45 -1.00 -1.42 -2.20 116.94 115.18 1ith h PHE 104 Ca 0.07 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.78 1ith h PHE 104 Cb 0.02 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 1ith h PHE 104 CO -0.10 0.44 -0.01 0.78 -1.61 0.00 0.00 178.31 177.80 1ith h GLY 105 N 0.72 0.70 0.30 -1.45 0.00 -0.59 -0.26 103.07 102.49 1ith h GLY 105 Ca 0.16 -0.53 0.11 0.00 0.00 0.00 0.00 47.33 47.07 1ith h GLY 105 CO -0.02 0.48 0.22 1.46 0.00 0.00 0.00 176.54 178.68 1ith h GLN 106 N 0.46 0.37 0.55 4.80 4.20 -0.74 -0.03 115.11 124.72 1ith h GLN 106 Ca 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1ith h GLN 106 Cb 0.48 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1ith h GLN 106 CO 0.02 0.24 -0.26 1.25 -0.67 0.00 0.00 178.83 179.41 1ith h LEU 107 N 0.38 -0.63 -1.38 1.46 7.12 -1.25 -3.23 115.31 117.78 1ith h LEU 107 Ca 0.33 -0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.40 1ith h LEU 107 Cb 0.44 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.68 1ith h LEU 107 CO -0.34 -0.29 0.52 -0.07 -0.13 0.00 0.00 178.44 178.13 1ith h LEU 108 N -0.99 0.61 -1.08 2.25 4.07 -0.93 -2.57 115.31 116.67 1ith h LEU 108 Ca -0.08 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1ith h LEU 108 Cb 0.64 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1ith h LEU 108 CO 0.12 0.35 -0.40 0.11 -1.08 0.00 0.00 178.44 177.54 1ith h LYS 109 N 0.67 0.00 0.00 1.13 1.79 -1.03 -2.98 116.57 116.14 1ith h LYS 109 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1ith h LYS 109 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1ith h LYS 109 CO -0.15 0.40 0.00 -0.07 -1.08 0.00 0.00 179.45 178.55 1ith h LEU 110 N 0.00 0.00 -0.41 2.94 4.07 -1.48 -3.39 115.31 117.04 1ith h LEU 110 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1ith h LEU 110 Cb 0.82 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1ith h LEU 110 CO 0.05 0.00 0.13 0.58 -1.08 0.00 0.00 178.44 178.12 1ith h VAL 111 N 0.00 1.22 -0.31 1.22 2.07 -1.55 -1.83 116.25 117.07 1ith h VAL 111 Ca 0.00 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1ith h VAL 111 Cb 0.73 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1ith h VAL 111 CO 0.00 0.25 -0.02 1.23 0.02 0.00 0.00 177.57 179.05 1ith h GLY 112 N 0.52 0.28 0.74 2.17 0.00 -1.80 -0.94 103.07 104.04 1ith h GLY 112 Ca 0.13 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1ith h GLY 112 CO -0.00 -0.09 -0.03 -1.33 0.00 0.00 0.00 176.54 175.09 1ith h GLY 113 N 0.06 0.09 1.19 4.60 0.00 -1.79 0.91 103.07 108.13 1ith h GLY 113 Ca 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1ith h GLY 113 CO -0.28 -0.05 0.33 -2.08 0.00 0.00 0.00 176.54 174.46 1ith h VAL 114 N -0.00 1.24 -0.12 4.60 2.07 -0.98 -1.58 116.25 121.47 1ith h VAL 114 Ca 0.06 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 1ith h VAL 114 Cb 0.10 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ith h VAL 114 CO -0.13 0.29 -0.55 -0.26 0.02 0.00 0.00 177.57 176.94 1ith h PHE 115 N 1.03 0.43 -0.25 1.57 -1.00 0.22 -1.55 116.94 117.39 1ith h PHE 115 Ca 0.25 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1ith h PHE 115 Cb 0.14 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1ith h PHE 115 CO 0.01 0.81 0.06 0.37 -1.61 0.00 0.00 178.31 177.96 1ith h GLN 116 N 0.27 0.40 -0.01 1.51 4.15 -0.21 -0.26 115.11 120.96 1ith h GLN 116 Ca 0.00 -0.10 -0.24 0.00 0.77 0.00 0.00 58.65 59.09 1ith h GLN 116 Cb 1.04 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.69 1ith h GLN 116 CO 0.09 0.50 -0.95 0.93 -1.93 0.00 0.00 178.83 177.47 1ith h GLU 117 N 0.23 0.52 0.00 1.69 5.08 -1.19 -3.38 114.58 117.53 1ith h GLU 117 Ca 0.08 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1ith h GLU 117 Cb 0.28 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ith h GLU 117 CO 0.00 1.17 -0.44 0.39 -1.00 0.00 0.00 179.01 179.14 1ith n GLU 118 N -3.80 3.99 -0.95 2.33 1.02 -0.60 -4.83 120.64 117.81 1ith n GLU 118 Ca -0.08 -0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1ith n GLU 118 Cb 0.84 -0.73 0.15 0.00 -0.02 0.00 0.00 31.44 31.68 1ith n GLU 118 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ith n PHE 119 N -1.22 0.19 -3.61 -0.32 3.72 -0.17 -5.03 117.46 111.01 1ith n PHE 119 Ca 0.00 -1.31 -0.24 0.00 -0.05 0.00 0.00 57.45 55.85 1ith n PHE 119 Cb 0.01 -0.23 0.08 0.00 -0.94 0.00 0.00 39.48 38.40 1ith n PHE 119 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ith n SER 120 N -0.69 -6.14 -4.75 4.37 7.64 -0.79 -4.80 113.62 108.47 1ith n SER 120 Ca 0.17 -0.55 -0.35 0.00 1.01 0.00 0.00 58.87 59.14 1ith n SER 120 Cb 0.82 -4.99 -0.08 0.00 -1.01 0.00 0.00 64.21 58.95 1ith n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ith s ALA 121 N -3.32 3.71 0.93 -0.43 0.00 -1.08 -5.01 121.76 116.55 1ith s ALA 121 Ca 0.57 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1ith s ALA 121 Cb -0.25 -2.14 0.15 0.00 0.00 0.00 0.00 23.12 20.87 1ith s ALA 121 CO 0.73 0.21 1.13 0.16 0.00 0.00 0.00 175.76 178.00 1ith s ASP 122 N 0.20 3.34 0.55 0.00 1.47 -1.26 -4.43 116.67 116.54 1ith s ASP 122 Ca 0.09 0.97 0.34 0.00 1.18 0.00 0.00 52.55 55.13 1ith s ASP 122 Cb -0.11 -1.55 1.47 0.00 -0.34 0.00 0.00 42.92 42.39 1ith s ASP 122 CO -0.01 -2.66 2.03 1.55 0.68 0.00 0.00 175.17 176.76 1ith h PRO 123 N -1.57 0.00 0.06 2.11 0.13 -1.98 -1.23 132.00 129.51 1ith h PRO 123 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ith h PRO 123 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ith h PRO 123 CO 0.61 0.04 -0.03 1.15 -0.23 0.00 0.00 178.00 179.54 1ith h THR 124 N 0.00 1.26 -0.68 1.56 2.02 -1.99 -1.55 112.91 113.54 1ith h THR 124 Ca -0.00 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 1ith h THR 124 Cb 0.45 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1ith h THR 124 CO 0.01 0.31 0.29 0.74 0.37 0.00 0.00 175.52 177.23 1ith h THR 125 N -0.66 1.24 -1.00 3.16 2.02 -1.86 0.33 112.91 116.13 1ith h THR 125 Ca -0.01 -0.72 0.05 0.00 0.77 0.00 0.00 66.41 66.50 1ith h THR 125 Cb 0.56 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1ith h THR 125 CO 0.01 0.29 0.65 0.58 0.37 0.00 0.00 175.52 177.43 1ith h VAL 126 N 0.96 1.14 -0.23 3.16 2.07 -1.25 -0.37 116.25 121.72 1ith h VAL 126 Ca 0.23 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1ith h VAL 126 Cb 0.18 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1ith h VAL 126 CO -0.02 0.22 0.03 0.00 0.02 0.00 0.00 177.57 177.83 1ith h ALA 127 N 1.44 0.31 -0.95 1.67 0.00 -0.16 -2.12 119.26 119.44 1ith h ALA 127 Ca 0.41 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1ith h ALA 127 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ith h ALA 127 CO -0.15 -0.01 0.62 0.00 0.00 0.00 0.00 179.25 179.71 1ith h ALA 128 N 0.84 1.24 0.00 0.00 0.00 -0.43 -1.75 119.26 119.16 1ith h ALA 128 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ith h ALA 128 Cb 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ith h ALA 128 CO 0.01 0.53 -0.34 -1.49 0.00 0.00 0.00 179.25 177.96 1ith h TRP 129 N 1.23 0.00 -0.19 0.00 4.06 -0.90 0.10 115.95 120.25 1ith h TRP 129 Ca 0.37 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.21 1ith h TRP 129 Cb -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 1ith h TRP 129 CO -0.01 0.34 -0.35 0.78 -3.56 0.00 0.00 178.44 175.64 1ith h GLY 130 N 1.05 0.44 1.47 1.49 0.00 -0.64 -2.39 103.07 104.49 1ith h GLY 130 Ca -0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 47.33 46.65 1ith h GLY 130 CO 0.04 0.36 -1.36 -0.55 0.00 0.00 0.00 176.54 175.03 1ith h ASP 131 N 0.34 0.31 -0.80 0.19 3.32 -1.15 -3.30 116.42 115.34 1ith h ASP 131 Ca 0.04 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1ith h ASP 131 Cb 0.78 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1ith h ASP 131 CO 0.06 1.32 0.39 0.00 -1.72 0.00 0.00 179.24 179.29 1ith h ALA 132 N 0.63 1.17 -0.73 3.45 0.00 -0.92 -2.13 119.26 120.73 1ith h ALA 132 Ca -0.17 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.71 1ith h ALA 132 Cb 1.96 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1ith h ALA 132 CO 0.17 0.64 0.31 0.00 0.00 0.00 0.00 179.25 180.36 1ith h ALA 133 N 1.28 1.03 -0.18 0.00 0.00 -1.51 -1.97 119.26 117.90 1ith h ALA 133 Ca 0.28 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1ith h ALA 133 Cb 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ith h ALA 133 CO -0.04 -0.17 -0.60 0.78 0.00 0.00 0.00 179.25 179.23 1ith h GLY 134 N 0.48 0.67 0.74 0.00 0.00 -1.47 -2.41 103.07 101.08 1ith h GLY 134 Ca 0.39 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ith h GLY 134 CO -0.36 0.73 -0.03 -2.08 0.00 0.00 0.00 176.54 174.80 1ith h VAL 135 N 0.46 1.12 -0.50 4.60 2.07 -1.22 -1.01 116.25 121.76 1ith h VAL 135 Ca -0.00 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1ith h VAL 135 Cb 1.17 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1ith h VAL 135 CO 0.12 0.15 0.18 -0.07 0.02 0.00 0.00 177.57 177.96 1ith h LEU 136 N -0.33 0.67 -0.34 2.57 3.38 -1.36 -0.11 115.31 119.78 1ith h LEU 136 Ca -0.01 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 1ith h LEU 136 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ith h LEU 136 CO 0.01 0.62 -0.72 0.58 0.09 0.00 0.00 178.44 179.02 1ith h VAL 137 N 0.72 1.34 -0.13 1.22 2.07 -1.43 -2.99 116.25 117.06 1ith h VAL 137 Ca 0.17 -2.05 -0.12 0.00 0.82 0.00 0.00 66.70 65.52 1ith h VAL 137 Cb 0.18 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1ith h VAL 137 CO -0.01 0.63 -0.44 0.00 0.02 0.00 0.00 177.57 177.77 1ith h ALA 138 N 0.83 1.02 0.00 1.67 0.00 -0.72 -3.07 119.26 118.99 1ith h ALA 138 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ith h ALA 138 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ith h ALA 138 CO 0.13 0.62 0.00 0.00 0.00 0.00 0.00 179.25 180.00 1ith n ALA 139 N -2.48 2.09 0.15 0.00 0.00 -0.10 -3.78 120.51 116.39 1ith n ALA 139 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ith n ALA 139 Cb 0.51 -1.41 0.13 0.00 0.00 0.00 0.00 19.45 18.67 1ith n ALA 139 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ith h MET 140 N 0.00 0.00 -0.02 0.00 2.86 -1.42 -3.43 114.93 112.93 1ith h MET 140 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ith h MET 140 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1ith h MET 140 CO 0.00 0.50 0.00 1.17 1.06 0.00 0.00 176.91 179.64