#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 1.21 0.46 0.99 2.96 -1.26 -4.80 118.68 118.23 1ith s LEU 2 Ca 0.00 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1ith s LEU 2 Cb 0.00 -0.83 0.02 0.00 0.50 0.00 0.00 46.19 45.89 1ith s LEU 2 CO 0.00 -0.13 0.59 0.28 -1.32 0.00 0.00 176.35 175.77 1ith s THR 3 N 1.71 2.74 0.30 3.68 -1.32 -1.26 -4.98 115.64 116.51 1ith s THR 3 Ca 0.04 -1.05 0.24 0.00 -1.21 0.00 0.00 61.69 59.72 1ith s THR 3 Cb -0.13 -2.79 0.24 0.00 -1.51 0.00 0.00 72.50 68.31 1ith s THR 3 CO -0.08 0.00 1.94 0.00 -2.21 0.00 0.00 174.62 174.27 1ith h ALA 4 N 0.59 1.18 -0.28 11.08 0.00 -2.00 -1.99 119.26 127.83 1ith h ALA 4 Ca -0.38 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 1ith h ALA 4 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ith h ALA 4 CO 0.46 0.24 -0.37 0.00 0.00 0.00 0.00 179.25 179.58 1ith h ALA 5 N 1.80 0.82 -0.03 0.00 0.00 -1.99 -1.13 119.26 118.74 1ith h ALA 5 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ith h ALA 5 Cb 0.54 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ith h ALA 5 CO 0.03 0.65 -0.01 1.96 0.00 0.00 0.00 179.25 181.87 1ith h GLN 6 N 0.54 0.06 -0.42 0.00 4.20 -1.88 -0.57 115.11 117.04 1ith h GLN 6 Ca 0.05 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1ith h GLN 6 Cb 0.89 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1ith h GLN 6 CO 0.08 0.40 0.28 0.82 -0.67 0.00 0.00 178.83 179.75 1ith h ILE 7 N -0.29 1.00 -0.31 2.54 2.04 -1.29 -0.49 117.51 120.72 1ith h ILE 7 Ca 0.01 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 1ith h ILE 7 Cb 0.38 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1ith h ILE 7 CO 0.00 0.07 -0.40 0.50 0.00 0.00 0.00 178.15 178.32 1ith h LYS 8 N 0.41 0.82 0.61 2.37 3.64 -0.78 -1.56 116.57 122.08 1ith h LYS 8 Ca 0.18 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1ith h LYS 8 Cb 0.20 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ith h LYS 8 CO -0.04 1.10 -0.39 0.00 -2.27 0.00 0.00 179.45 177.85 1ith h ALA 9 N 0.71 -0.98 -1.00 5.00 0.00 0.51 0.35 119.26 123.84 1ith h ALA 9 Ca 0.04 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1ith h ALA 9 Cb 1.00 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1ith h ALA 9 CO 0.10 -1.07 0.63 0.82 0.00 0.00 0.00 179.25 179.73 1ith h ILE 10 N -0.95 0.94 0.06 0.00 2.04 -1.33 -0.92 117.51 117.36 1ith h ILE 10 Ca -0.07 -0.35 -0.25 0.00 1.00 0.00 0.00 64.86 65.19 1ith h ILE 10 Cb 0.78 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1ith h ILE 10 CO 0.06 0.19 -1.06 1.56 0.00 0.00 0.00 178.15 178.89 1ith h GLN 11 N 1.02 0.36 -0.23 2.37 4.20 -0.96 -1.01 115.11 120.86 1ith h GLN 11 Ca 0.49 -0.46 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1ith h GLN 11 Cb 0.44 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1ith h GLN 11 CO -0.25 1.15 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.44 1ith h ASP 12 N 0.17 0.55 -0.64 1.46 3.32 -0.43 -1.16 116.42 119.69 1ith h ASP 12 Ca -0.10 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 1ith h ASP 12 Cb 1.73 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 1ith h ASP 12 CO 0.18 0.89 0.35 -0.74 -1.72 0.00 0.00 179.24 178.20 1ith h HIS 13 N 0.22 0.91 -0.15 4.55 2.76 -1.24 -1.79 115.15 120.40 1ith h HIS 13 Ca 0.04 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 1ith h HIS 13 Cb 0.72 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1ith h HIS 13 CO 0.07 0.65 -0.12 2.35 -1.30 0.00 0.00 177.93 179.58 1ith h TRP 14 N 0.93 0.41 -0.72 5.26 2.91 -0.68 -2.01 115.95 122.06 1ith h TRP 14 Ca 0.23 -0.12 0.01 0.00 1.13 0.00 0.00 58.89 60.15 1ith h TRP 14 Cb 0.05 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 1ith h TRP 14 CO 0.01 0.71 0.47 0.35 -1.03 0.00 0.00 178.44 178.95 1ith h PHE 15 N -0.01 0.89 0.02 2.65 3.57 -1.09 0.29 116.94 123.26 1ith h PHE 15 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ith h PHE 15 Cb 0.63 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1ith h PHE 15 CO 0.08 0.55 -0.01 1.25 -2.23 0.00 0.00 178.31 177.95 1ith h LEU 16 N 0.95 -0.03 0.00 0.59 7.12 -1.30 -3.40 115.31 119.25 1ith h LEU 16 Ca 0.27 -0.26 -0.07 0.00 0.13 0.00 0.00 57.88 57.95 1ith h LEU 16 Cb -0.08 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 1ith h LEU 16 CO -0.07 0.25 -1.62 0.59 -0.13 0.00 0.00 178.44 177.46 1ith n ASN 17 N -4.98 2.28 -0.02 1.25 4.13 -0.76 -4.86 115.26 112.31 1ith n ASN 17 Ca -0.08 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.12 1ith n ASN 17 Cb 0.16 1.27 -0.02 0.00 -1.54 0.00 0.00 39.78 39.65 1ith n ASN 17 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ith n ILE 18 N -2.09 1.11 -0.39 2.41 2.08 -0.37 -4.67 119.36 117.44 1ith n ILE 18 Ca -0.08 0.17 0.36 0.00 0.56 0.00 0.00 62.75 63.76 1ith n ILE 18 Cb 0.50 -1.81 0.72 0.00 -0.75 0.00 0.00 39.64 38.30 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 -0.38 0.06 0.00 0.38 1.63 -1.21 -0.49 116.57 116.56 1ith h LYS 19 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1ith h LYS 19 Cb 0.64 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1ith h LYS 19 CO -0.05 0.04 -0.02 0.41 -3.45 0.00 0.00 179.45 176.38 1ith n GLY 20 N -1.73 -1.62 2.44 5.01 0.00 -1.26 -4.09 105.19 103.94 1ith n GLY 20 Ca 0.30 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1ith n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ith h LEU 22 N 3.01 0.84 -0.13 0.00 3.38 -1.66 -2.64 115.31 118.11 1ith h LEU 22 Ca 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ith h LEU 22 Cb 1.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1ith h LEU 22 CO 0.33 0.64 0.06 -0.61 0.09 0.00 0.00 178.44 178.95 1ith h GLN 23 N 0.97 0.19 -0.73 1.13 5.75 -1.94 0.38 115.11 120.87 1ith h GLN 23 Ca 0.26 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.82 1ith h GLN 23 Cb -0.05 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.40 1ith h GLN 23 CO -0.05 0.24 0.38 0.00 -2.65 0.00 0.00 178.83 176.76 1ith h ALA 24 N 0.93 1.01 -0.28 3.38 0.00 -1.87 -1.55 119.26 120.88 1ith h ALA 24 Ca 0.04 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1ith h ALA 24 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ith h ALA 24 CO -0.01 -0.00 -0.41 0.00 0.00 0.00 0.00 179.25 178.83 1ith h ALA 25 N 1.42 0.43 -0.22 0.00 0.00 -1.20 -2.80 119.26 116.89 1ith h ALA 25 Ca 0.35 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ith h ALA 25 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ith h ALA 25 CO -0.25 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.68 1ith h ALA 26 N 0.68 0.27 -0.51 0.00 0.00 -0.62 -1.16 119.26 117.93 1ith h ALA 26 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ith h ALA 26 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1ith h ALA 26 CO 0.10 -0.27 0.30 -0.44 0.00 0.00 0.00 179.25 178.94 1ith h ASP 27 N 0.27 0.62 0.47 0.00 3.32 -1.28 -2.26 116.42 117.56 1ith h ASP 27 Ca 0.08 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 1ith h ASP 27 Cb -0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1ith h ASP 27 CO -0.03 0.51 -0.60 0.28 -1.72 0.00 0.00 179.24 177.67 1ith h SER 28 N 0.69 0.15 -0.17 6.45 0.02 -1.39 0.78 113.55 120.07 1ith h SER 28 Ca 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1ith h SER 28 Cb 0.01 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ith h SER 28 CO -0.03 0.72 0.05 0.40 -1.14 0.00 0.00 176.83 176.83 1ith h ILE 29 N 0.10 1.19 0.00 3.27 2.04 -1.03 -1.82 117.51 121.27 1ith h ILE 29 Ca -0.01 -0.60 -0.23 0.00 1.00 0.00 0.00 64.86 65.03 1ith h ILE 29 Cb 1.09 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1ith h ILE 29 CO 0.09 0.18 -0.95 -0.26 0.00 0.00 0.00 178.15 177.21 1ith h PHE 30 N 0.10 0.61 -0.76 1.37 0.04 -1.36 -2.33 116.94 114.61 1ith h PHE 30 Ca 0.06 -0.33 0.09 0.00 2.80 0.00 0.00 57.97 60.58 1ith h PHE 30 Cb 0.24 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 1ith h PHE 30 CO 0.00 1.16 0.41 0.35 -0.60 0.00 0.00 178.31 179.63 1ith h PHE 31 N 0.23 0.75 -0.55 -0.55 3.57 -0.76 0.23 116.94 119.85 1ith h PHE 31 Ca -0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ith h PHE 31 Cb 1.59 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1ith h PHE 31 CO 0.06 0.30 0.25 -0.22 -2.23 0.00 0.00 178.31 176.47 1ith h LYS 32 N 0.70 0.80 -0.59 1.11 1.63 -1.31 0.10 116.57 119.02 1ith h LYS 32 Ca 0.37 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1ith h LYS 32 Cb 0.35 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1ith h LYS 32 CO -0.25 0.67 0.18 -0.92 -3.45 0.00 0.00 179.45 175.69 1ith h TYR 33 N 0.74 0.96 0.00 1.91 3.20 -0.51 -2.64 116.97 120.63 1ith h TYR 33 Ca 0.19 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1ith h TYR 33 Cb 0.15 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1ith h TYR 33 CO 0.00 0.79 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.90 1ith h LEU 34 N 0.84 0.00 -0.61 2.82 3.38 -0.27 0.14 115.31 121.61 1ith h LEU 34 Ca 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1ith h LEU 34 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ith h LEU 34 CO -0.01 0.34 -0.53 0.00 0.09 0.00 0.00 178.44 178.34 1ith h THR 35 N 0.00 1.11 0.03 0.22 1.03 -0.86 -1.75 112.91 112.69 1ith h THR 35 Ca -0.00 -2.02 -0.21 0.00 -0.01 0.00 0.00 66.41 64.16 1ith h THR 35 Cb 1.20 2.18 -0.01 0.00 -1.07 0.00 0.00 68.15 70.45 1ith h THR 35 CO 0.04 0.52 -0.97 0.00 -0.01 0.00 0.00 175.52 175.11 1ith h ALA 36 N 1.47 0.41 -2.15 0.00 0.00 -1.08 -3.39 119.26 114.52 1ith h ALA 36 Ca -0.01 -0.80 -0.55 0.00 0.00 0.00 0.00 54.91 53.55 1ith h ALA 36 Cb 1.14 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 1ith h ALA 36 CO 0.07 1.01 -0.86 0.66 0.00 0.00 0.00 179.25 180.13 1ith n TYR 37 N -3.56 2.25 -0.23 0.00 4.01 0.46 -4.99 117.16 115.09 1ith n TYR 37 Ca -0.03 -3.92 0.02 0.00 -0.16 0.00 0.00 57.90 53.81 1ith n TYR 37 Cb 0.88 -0.46 0.14 0.00 -0.31 0.00 0.00 39.34 39.59 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 3.30 0.48 -0.80 -0.72 0.13 -1.52 -1.74 132.00 131.13 1ith h PRO 38 Ca 0.12 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.39 1ith h PRO 38 Cb 0.72 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 1ith h PRO 38 CO 0.68 0.32 0.54 0.78 -0.23 0.00 0.00 178.00 180.08 1ith h GLY 39 N 0.49 0.73 1.57 1.56 0.00 -1.94 -1.07 103.07 104.42 1ith h GLY 39 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1ith h GLY 39 CO -0.32 0.04 0.00 1.22 0.00 0.00 0.00 176.54 177.48 1ith n ASP 40 N -4.48 0.00 0.22 0.19 9.92 -0.65 -1.32 116.55 120.43 1ith n ASP 40 Ca 0.16 0.17 0.06 0.00 -0.53 0.00 0.00 54.79 54.65 1ith n ASP 40 Cb 0.59 -0.28 0.51 0.00 -0.64 0.00 0.00 41.12 41.30 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 -1.52 0.64 5.85 -1.33 -2.13 115.31 116.82 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 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1ith h LEU 41 CO 0.00 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 1ith h ALA 42 N 1.80 1.00 0.00 1.25 0.00 -1.41 -1.39 119.26 120.51 1ith h ALA 42 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ith h ALA 42 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ith h ALA 42 CO 0.03 0.00 -0.07 0.74 0.00 0.00 0.00 179.25 179.94 1ith h PHE 43 N 0.00 0.00 -3.37 0.00 0.04 -1.62 -3.39 116.94 108.61 1ith h PHE 43 Ca 0.00 0.00 -0.79 0.00 2.80 0.00 0.00 57.97 59.98 1ith h PHE 43 Cb 0.06 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 37.95 1ith h PHE 43 CO 0.00 0.07 0.56 -0.06 -0.60 0.00 0.00 178.31 178.28 1ith s PHE 44 N -3.36 4.11 0.35 -0.55 0.08 -0.52 -4.88 117.98 113.21 1ith s PHE 44 Ca 0.04 -2.54 0.08 0.00 0.12 0.00 0.00 56.93 54.64 1ith s PHE 44 Cb 0.07 -3.91 0.80 0.00 -0.57 0.00 0.00 43.02 39.41 1ith s PHE 44 CO 0.64 -1.03 1.87 0.45 -0.10 0.00 0.00 175.22 177.05 1ith h HIS 45 N 6.86 0.84 0.00 0.36 3.86 -1.82 0.16 115.15 125.40 1ith h HIS 45 Ca 0.19 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1ith h HIS 45 Cb 0.89 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1ith h HIS 45 CO 0.83 0.31 0.00 0.87 0.86 0.00 0.00 177.93 180.80 1ith h LYS 46 N 0.71 0.00 0.00 2.45 6.56 -1.96 -3.30 116.57 121.02 1ith h LYS 46 Ca 0.45 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 60.00 1ith h LYS 46 Cb 0.71 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.30 1ith h LYS 46 CO -0.21 0.00 -0.28 1.97 -2.06 0.00 0.00 179.45 178.88 1ith n PHE 47 N -2.49 0.00 0.63 -1.35 -1.74 0.16 -4.89 117.46 107.77 1ith n PHE 47 Ca -0.02 -0.15 0.07 0.00 -0.56 0.00 0.00 57.45 56.79 1ith n PHE 47 Cb 0.05 0.19 0.34 0.00 1.52 0.00 0.00 39.48 41.57 1ith n PHE 47 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1ith n SER 48 N 0.05 0.00 -0.68 5.98 3.41 0.33 -2.43 113.62 120.28 1ith n SER 48 Ca -0.05 0.11 0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1ith n SER 48 Cb 0.65 -0.29 0.13 0.00 -0.26 0.00 0.00 64.21 64.44 1ith n SER 48 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ith n SER 49 N -1.29 2.68 -4.75 4.04 3.41 -1.26 -4.77 113.62 111.68 1ith n SER 49 Ca 0.06 -1.80 -0.40 0.00 -0.26 0.00 0.00 58.87 56.47 1ith n SER 49 Cb 0.11 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1ith n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ith s VAL 50 N -1.06 4.42 0.51 -3.33 1.01 -1.02 -5.05 120.40 115.88 1ith s VAL 50 Ca 0.23 1.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.92 1ith s VAL 50 Cb 0.13 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1ith s VAL 50 CO 0.18 0.41 1.07 -2.16 0.00 0.00 0.00 175.10 174.61 1ith s PRO 51 N -0.53 3.62 0.28 2.72 0.04 -1.26 -4.93 135.00 134.94 1ith s PRO 51 Ca 0.41 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 1ith s PRO 51 Cb -0.23 -2.06 0.62 0.00 0.04 0.00 0.00 34.50 32.87 1ith s PRO 51 CO 0.28 -0.60 1.60 -0.07 0.04 0.00 0.00 177.00 178.26 1ith h LEU 52 N 1.39 -0.39 -1.18 -3.56 3.38 -1.98 0.36 115.31 113.32 1ith h LEU 52 Ca -0.50 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ith h LEU 52 Cb 1.24 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1ith h LEU 52 CO 0.58 -0.27 0.00 0.10 0.09 0.00 0.00 178.44 178.94 1ith h TYR 53 N 0.07 0.00 -0.02 1.13 -0.00 -2.03 -2.43 116.97 113.69 1ith h TYR 53 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.25 1ith h TYR 53 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.75 1ith h TYR 53 CO -0.46 0.00 -0.08 0.41 -0.00 0.00 0.00 178.16 178.04 1ith n GLY 54 N -0.46 0.28 0.23 0.10 0.00 0.13 -4.59 105.19 100.89 1ith n GLY 54 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 3.04 0.77 -2.14 0.99 3.38 -1.45 -2.56 115.31 117.34 1ith h LEU 55 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1ith h LEU 55 Cb 0.70 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ith h LEU 55 CO 0.00 0.91 0.00 0.03 0.09 0.00 0.00 178.44 179.47 1ith h ARG 56 N 0.60 0.00 0.00 1.13 3.08 -1.81 -1.16 114.38 116.23 1ith h ARG 56 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ith h ARG 56 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1ith h ARG 56 CO 0.03 0.00 -1.31 0.45 -1.07 0.00 0.00 179.97 178.07 1ith n SER 57 N -2.65 1.15 -4.63 7.04 2.88 -1.14 -4.94 113.62 111.33 1ith n SER 57 Ca -0.02 -0.34 -0.43 0.00 -1.33 0.00 0.00 58.87 56.75 1ith n SER 57 Cb 0.06 1.43 -0.02 0.00 -0.75 0.00 0.00 64.21 64.93 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 -3.25 6.85 0.58 -3.46 3.84 -0.44 -4.94 114.94 114.12 1ith s ASN 58 Ca -0.01 0.95 0.29 0.00 0.21 0.00 0.00 52.86 54.29 1ith s ASN 58 Cb 0.11 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.75 1ith s ASN 58 CO 0.64 -0.97 1.92 1.55 -2.79 0.00 0.00 177.10 177.44 1ith h PRO 59 N 8.41 0.00 0.00 0.43 0.13 -1.92 -1.79 132.00 137.26 1ith h PRO 59 Ca -0.21 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.77 1ith h PRO 59 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1ith h PRO 59 CO 1.05 0.00 -0.69 0.00 -0.23 0.00 0.00 178.00 178.14 1ith h ALA 60 N 1.50 0.74 -0.13 -0.56 0.00 -1.92 -1.41 119.26 117.48 1ith h ALA 60 Ca 0.22 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1ith h ALA 60 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ith h ALA 60 CO -0.00 0.86 -0.38 -0.92 0.00 0.00 0.00 179.25 178.80 1ith h TYR 61 N 0.00 0.64 -0.68 0.00 3.20 -1.61 -2.74 116.97 115.78 1ith h TYR 61 Ca -0.01 -0.25 -0.08 0.00 3.14 0.00 0.00 58.73 61.53 1ith h TYR 61 Cb 1.31 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1ith h TYR 61 CO 0.00 1.00 0.12 0.87 -1.64 0.00 0.00 178.16 178.51 1ith h LYS 62 N 0.10 1.12 -0.50 1.82 1.57 -1.32 -0.00 116.57 119.36 1ith h LYS 62 Ca -0.01 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1ith h LYS 62 Cb 1.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1ith h LYS 62 CO 0.08 1.01 -0.10 0.00 -0.57 0.00 0.00 179.45 179.88 1ith h ALA 63 N 1.07 0.88 -0.09 3.86 0.00 -1.33 -1.55 119.26 122.11 1ith h ALA 63 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ith h ALA 63 Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ith h ALA 63 CO 0.01 0.64 -0.02 0.37 0.00 0.00 0.00 179.25 180.25 1ith h GLN 64 N 0.82 0.17 -0.24 0.00 5.75 -1.07 -0.79 115.11 119.75 1ith h GLN 64 Ca 0.13 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 1ith h GLN 64 Cb 0.63 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1ith h GLN 64 CO 0.04 0.49 -0.39 1.79 -2.65 0.00 0.00 178.83 178.11 1ith h THR 65 N -0.15 1.30 -0.52 2.39 1.35 -1.03 -1.56 112.91 114.69 1ith h THR 65 Ca 0.02 -1.55 -0.05 0.00 -0.55 0.00 0.00 66.41 64.29 1ith h THR 65 Cb 0.42 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1ith h THR 65 CO 0.01 0.49 0.12 0.25 -0.25 0.00 0.00 175.52 176.14 1ith h LEU 66 N 0.45 0.73 -0.91 3.87 5.85 -1.27 0.16 115.31 124.20 1ith h LEU 66 Ca 0.04 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1ith h LEU 66 Cb 0.89 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1ith h LEU 66 CO 0.08 0.73 0.57 0.74 -0.34 0.00 0.00 178.44 180.21 1ith h THR 67 N 0.76 1.24 -0.03 1.05 2.02 -0.35 -2.01 112.91 115.60 1ith h THR 67 Ca 0.17 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ith h THR 67 Cb 0.29 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1ith h THR 67 CO -0.00 0.25 -0.03 1.62 0.37 0.00 0.00 175.52 177.73 1ith h VAL 68 N 1.24 1.39 -0.14 3.16 3.04 -0.86 -2.89 116.25 121.19 1ith h VAL 68 Ca 0.33 -1.20 -0.03 0.00 -1.01 0.00 0.00 66.70 64.79 1ith h VAL 68 Cb -0.08 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1ith h VAL 68 CO -0.06 0.32 -0.06 -0.29 -1.01 0.00 0.00 177.57 176.47 1ith h ILE 69 N -0.41 1.13 -0.49 3.17 6.09 -0.89 -0.09 117.51 126.01 1ith h ILE 69 Ca 0.00 -0.54 -0.10 0.00 -1.37 0.00 0.00 64.86 62.86 1ith h ILE 69 Cb 0.53 1.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 1ith h ILE 69 CO 0.01 0.17 -0.08 -1.13 -3.07 0.00 0.00 178.15 174.04 1ith h ASN 70 N 0.20 0.87 -0.02 2.19 -0.73 -1.36 0.15 115.58 116.88 1ith h ASN 70 Ca 0.05 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 57.93 1ith h ASN 70 Cb 0.24 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1ith h ASN 70 CO 0.01 0.98 -0.07 0.22 -0.37 0.00 0.00 177.43 178.20 1ith h TYR 71 N 0.80 0.11 -0.79 0.67 3.20 -0.92 -3.13 116.97 116.91 1ith h TYR 71 Ca 0.14 -0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1ith h TYR 71 Cb 0.60 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1ith h TYR 71 CO 0.03 0.72 0.52 -0.07 -1.64 0.00 0.00 178.16 177.73 1ith h LEU 72 N -0.54 0.49 -0.37 2.82 3.38 -0.71 -1.19 115.31 119.19 1ith h LEU 72 Ca -0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1ith h LEU 72 Cb 0.73 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1ith h LEU 72 CO 0.02 0.26 0.05 -0.78 0.09 0.00 0.00 178.44 178.07 1ith h ASP 73 N 0.52 -0.05 -0.64 -0.43 3.58 -0.70 0.13 116.42 118.84 1ith h ASP 73 Ca 0.39 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1ith h ASP 73 Cb 0.77 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 1ith h ASP 73 CO -0.15 0.01 0.38 0.11 -2.88 0.00 0.00 179.24 176.71 1ith h LYS 74 N 0.16 0.89 -0.49 0.28 1.57 -1.19 -0.84 116.57 116.95 1ith h LYS 74 Ca 0.18 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1ith h LYS 74 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ith h LYS 74 CO -0.26 0.64 -0.19 0.28 -0.57 0.00 0.00 179.45 179.36 1ith h VAL 75 N 0.91 1.27 -0.44 0.50 2.07 -0.38 -2.91 116.25 117.27 1ith h VAL 75 Ca 0.23 -1.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.26 1ith h VAL 75 Cb -0.01 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1ith h VAL 75 CO -0.04 0.47 -0.28 0.58 0.02 0.00 0.00 177.57 178.32 1ith h VAL 76 N 0.86 1.27 0.00 2.57 2.07 0.29 -1.71 116.25 121.60 1ith h VAL 76 Ca 0.12 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1ith h VAL 76 Cb 0.76 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1ith h VAL 76 CO 0.06 0.49 0.00 0.44 0.02 0.00 0.00 177.57 178.58 1ith h ASP 77 N 0.80 0.00 -0.49 0.57 5.19 -1.19 -2.47 116.42 118.83 1ith h ASP 77 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1ith h ASP 77 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1ith h ASP 77 CO 0.08 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 1ith n ALA 78 N -1.99 2.35 0.28 3.45 0.00 -0.70 -4.67 120.51 119.24 1ith n ALA 78 Ca -0.01 -1.29 0.13 0.00 0.00 0.00 0.00 53.44 52.26 1ith n ALA 78 Cb 0.15 -0.65 0.80 0.00 0.00 0.00 0.00 19.45 19.75 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 2.87 0.00 -6.36 0.00 3.38 -0.92 -2.41 115.31 111.87 1ith h LEU 79 Ca 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1ith h LEU 79 Cb 0.91 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1ith h LEU 79 CO 0.03 0.05 2.26 0.61 0.09 0.00 0.00 178.44 181.48 1ith n GLY 80 N -1.12 4.68 0.00 0.83 0.00 -1.26 -4.83 105.19 103.49 1ith n GLY 80 Ca -0.03 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 3.08 0.46 0.61 -0.02 0.00 -1.02 -4.95 105.19 103.35 1ith n GLY 81 Ca 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.43 -0.11 1.61 6.94 -1.22 -4.02 115.26 119.88 1ith n ASN 82 Ca 0.00 -1.98 -0.05 0.00 -0.02 0.00 0.00 54.58 52.53 1ith n ASN 82 Cb 0.00 -0.49 0.02 0.00 -2.36 0.00 0.00 39.78 36.95 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 1.99 0.34 -0.85 -2.53 0.00 -1.72 -0.99 119.26 115.50 1ith h ALA 83 Ca 0.00 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1ith h ALA 83 Cb 0.60 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1ith h ALA 83 CO 0.00 -0.40 0.56 0.78 0.00 0.00 0.00 179.25 180.18 1ith h GLY 84 N 0.09 0.97 1.98 0.00 0.00 -1.87 0.70 103.07 104.93 1ith h GLY 84 Ca 0.19 -0.23 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1ith h GLY 84 CO -0.33 0.05 -0.75 0.00 0.00 0.00 0.00 176.54 175.52 1ith h ALA 85 N 1.62 0.76 -0.06 3.60 0.00 -1.51 -1.61 119.26 122.05 1ith h ALA 85 Ca 0.43 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1ith h ALA 85 Cb 0.87 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ith h ALA 85 CO -0.17 0.92 -0.87 -0.07 0.00 0.00 0.00 179.25 179.05 1ith h LEU 86 N 0.01 0.75 -0.60 0.00 3.38 -0.24 -1.67 115.31 116.95 1ith h LEU 86 Ca -0.01 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1ith h LEU 86 Cb 1.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1ith h LEU 86 CO 0.10 1.33 0.23 0.24 0.09 0.00 0.00 178.44 180.43 1ith h MET 87 N 0.38 0.90 0.13 1.13 2.86 -0.88 -3.26 114.93 116.18 1ith h MET 87 Ca -0.07 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1ith h MET 87 Cb 1.50 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.97 1ith h MET 87 CO 0.17 0.77 -0.40 -0.22 1.06 0.00 0.00 176.91 178.29 1ith h LYS 88 N 0.83 -0.62 0.00 1.72 1.63 -1.16 -2.40 116.57 116.58 1ith h LYS 88 Ca 0.20 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1ith h LYS 88 Cb 0.22 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1ith h LYS 88 CO -0.01 -0.41 0.38 0.00 -3.45 0.00 0.00 179.45 175.95 1ith n ALA 89 N -2.80 0.29 0.52 5.00 0.00 -0.64 -1.56 120.51 121.31 1ith n ALA 89 Ca -0.07 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1ith n ALA 89 Cb 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.26 1.96 0.29 0.00 4.76 -0.90 -4.63 118.16 118.39 1ith n LYS 90 Ca -0.00 -0.66 -0.15 0.00 -2.87 0.00 0.00 58.31 54.63 1ith n LYS 90 Cb 0.38 -1.13 -0.08 0.00 -1.84 0.00 0.00 35.03 32.36 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 1.30 0.32 -0.80 -0.18 2.07 -1.40 -2.57 116.25 114.98 1ith h VAL 91 Ca 0.00 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.28 1ith h VAL 91 Cb 0.40 0.43 -0.13 0.00 -1.52 0.00 0.00 31.29 30.47 1ith h VAL 91 CO 0.00 0.04 -0.46 -0.65 0.02 0.00 0.00 177.57 176.52 1ith h PRO 92 N -1.00 -0.11 -0.70 1.57 0.11 -1.82 0.13 132.00 130.18 1ith h PRO 92 Ca -0.08 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.16 1ith h PRO 92 Cb 0.64 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.69 1ith h PRO 92 CO 0.13 -0.07 0.29 1.03 -0.21 0.00 0.00 178.00 179.16 1ith h SER 93 N -0.11 0.30 1.25 -2.05 0.87 -1.85 -1.87 113.55 110.10 1ith h SER 93 Ca 0.22 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.73 1ith h SER 93 Cb 0.54 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1ith h SER 93 CO -0.83 0.15 -0.77 0.45 -0.53 0.00 0.00 176.83 175.30 1ith h HIS 94 N 0.47 0.00 -0.70 2.24 3.86 -0.67 -3.25 115.15 117.10 1ith h HIS 94 Ca 0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.52 1ith h HIS 94 Cb 0.49 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1ith h HIS 94 CO -0.15 0.65 0.24 0.22 0.86 0.00 0.00 177.93 179.75 1ith h ASP 95 N 0.00 1.01 -0.84 2.45 3.58 -0.07 -1.48 116.42 121.07 1ith h ASP 95 Ca -0.03 -0.20 0.21 0.00 0.42 0.00 0.00 57.03 57.43 1ith h ASP 95 Cb 1.53 -0.26 -0.13 0.00 1.72 0.00 0.00 39.33 42.18 1ith h ASP 95 CO 0.08 0.94 0.22 0.00 -2.88 0.00 0.00 179.24 177.60 1ith h ALA 96 N 1.11 1.17 -0.00 -0.78 0.00 -1.41 -1.09 119.26 118.27 1ith h ALA 96 Ca 0.23 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1ith h ALA 96 Cb 0.28 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ith h ALA 96 CO -0.01 -0.42 -0.01 -1.33 0.00 0.00 0.00 179.25 177.49 1ith n MET 97 N -5.20 0.08 -0.25 0.00 2.81 -0.64 -4.91 117.12 109.01 1ith n MET 97 Ca 0.19 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1ith n MET 97 Cb 0.61 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 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 1.46 0.85 3.45 3.03 0.00 -0.41 -5.06 105.19 108.50 1ith n GLY 98 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.06 5.07 0.47 -0.61 1.01 -0.70 -5.01 121.20 119.38 1ith s ILE 99 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1ith s ILE 99 Cb 0.00 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1ith s ILE 99 CO 0.00 -0.24 0.68 0.42 0.00 0.00 0.00 174.94 175.80 1ith s THR 100 N 1.65 3.45 0.51 2.92 -4.23 -1.26 -3.72 115.64 114.96 1ith s THR 100 Ca 0.04 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1ith s THR 100 Cb -0.19 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1ith s THR 100 CO 0.09 -0.17 0.80 -2.65 -0.54 0.00 0.00 174.62 172.16 1ith n PRO 101 N -2.11 0.02 -0.08 3.99 -0.02 -1.26 -0.36 135.00 135.19 1ith n PRO 101 Ca 0.04 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1ith n PRO 101 Cb 0.59 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 1ith n PRO 101 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ith h LYS 102 N 0.00 0.66 -0.51 -0.52 1.63 -1.98 -2.50 116.57 113.34 1ith h LYS 102 Ca 0.00 -0.38 -0.11 0.00 -0.85 0.00 0.00 60.65 59.31 1ith h LYS 102 Cb 1.61 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.25 1ith h LYS 102 CO 0.00 1.00 -0.11 0.45 -3.45 0.00 0.00 179.45 177.34 1ith h HIS 103 N 0.37 1.07 -0.62 1.91 3.86 -1.08 -2.24 115.15 118.40 1ith h HIS 103 Ca 0.03 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1ith h HIS 103 Cb 0.93 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 1ith h HIS 103 CO 0.08 1.00 0.17 0.74 0.86 0.00 0.00 177.93 180.79 1ith h PHE 104 N 0.85 1.02 -0.64 2.45 -1.00 -1.61 -2.11 116.94 115.91 1ith h PHE 104 Ca 0.14 -0.11 -0.08 0.00 2.81 0.00 0.00 57.97 60.73 1ith h PHE 104 Cb 0.66 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1ith h PHE 104 CO 0.04 0.85 0.10 0.78 -1.61 0.00 0.00 178.31 178.47 1ith h GLY 105 N 0.90 1.14 0.73 -1.45 0.00 -1.22 -0.51 103.07 102.65 1ith h GLY 105 Ca 0.20 -0.76 0.06 0.00 0.00 0.00 0.00 47.33 46.82 1ith h GLY 105 CO -0.00 0.71 0.48 1.46 0.00 0.00 0.00 176.54 179.19 1ith h GLN 106 N 0.97 0.86 -0.08 4.80 4.20 -1.27 -0.58 115.11 124.01 1ith h GLN 106 Ca 0.19 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1ith h GLN 106 Cb 0.44 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ith h GLN 106 CO 0.01 0.57 -0.23 1.25 -0.67 0.00 0.00 178.83 179.76 1ith h LEU 107 N 0.89 0.35 -1.64 1.46 7.12 -0.87 -3.29 115.31 119.33 1ith h LEU 107 Ca 0.35 -0.60 -0.03 0.00 0.13 0.00 0.00 57.88 57.72 1ith h LEU 107 Cb 0.16 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1ith h LEU 107 CO -0.17 0.89 -0.17 -0.07 -0.13 0.00 0.00 178.44 178.79 1ith h LEU 108 N -0.18 0.00 -1.08 2.25 4.07 -1.04 -2.49 115.31 116.84 1ith h LEU 108 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1ith h LEU 108 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1ith h LEU 108 CO 0.05 0.17 0.00 0.50 -1.08 0.00 0.00 178.44 178.08 1ith h LYS 109 N 0.00 0.00 0.00 1.13 3.11 -1.16 -3.24 116.57 116.41 1ith h LYS 109 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ith h LYS 109 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1ith h LYS 109 CO 0.02 0.00 -1.26 1.28 -2.81 0.00 0.00 179.45 176.68 1ith n LEU 110 N -3.09 0.53 0.21 5.20 4.77 -0.94 -4.51 117.00 119.18 1ith n LEU 110 Ca 0.01 0.06 0.09 0.00 -0.03 0.00 0.00 56.01 56.14 1ith n LEU 110 Cb 0.36 -0.06 0.38 0.00 -2.33 0.00 0.00 43.42 41.77 1ith n LEU 110 CO 0.29 -0.02 0.75 -0.37 -1.33 0.00 0.00 177.39 176.71 1ith h VAL 111 N 0.00 0.57 -0.35 4.08 -1.51 -1.60 -1.63 116.25 115.81 1ith h VAL 111 Ca 0.00 -1.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.17 1ith h VAL 111 Cb 0.86 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 1ith h VAL 111 CO 0.00 0.25 0.12 1.23 -1.23 0.00 0.00 177.57 177.94 1ith h GLY 112 N 2.39 0.58 0.80 5.19 0.00 -1.80 0.42 103.07 110.65 1ith h GLY 112 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1ith h GLY 112 CO 0.03 0.31 -0.05 -1.33 0.00 0.00 0.00 176.54 175.50 1ith h GLY 113 N 0.42 -0.16 1.28 4.60 0.00 -1.78 -0.28 103.07 107.16 1ith h GLY 113 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1ith h GLY 113 CO -0.01 -0.06 0.46 -2.08 0.00 0.00 0.00 176.54 174.85 1ith h VAL 114 N -0.35 1.15 -0.08 4.60 2.07 -1.24 0.13 116.25 122.53 1ith h VAL 114 Ca -0.02 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1ith h VAL 114 Cb 0.29 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ith h VAL 114 CO 0.03 0.16 -0.60 -0.26 0.02 0.00 0.00 177.57 176.92 1ith h PHE 115 N 0.89 0.32 0.34 1.57 0.04 -0.53 -1.39 116.94 118.18 1ith h PHE 115 Ca 0.26 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1ith h PHE 115 Cb -0.04 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1ith h PHE 115 CO -0.00 0.78 -0.16 0.37 -0.60 0.00 0.00 178.31 178.70 1ith h GLN 116 N 0.19 -0.44 -0.86 1.51 4.15 -0.06 0.40 115.11 120.00 1ith h GLN 116 Ca -0.00 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.56 1ith h GLN 116 Cb 1.10 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.82 1ith h GLN 116 CO 0.09 -0.11 0.56 0.93 -1.93 0.00 0.00 178.83 178.37 1ith h GLU 117 N -0.84 0.74 0.00 1.69 5.08 -0.72 -3.33 114.58 117.21 1ith h GLU 117 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ith h GLU 117 Cb 0.52 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ith h GLU 117 CO 0.08 0.49 -0.15 0.39 -1.00 0.00 0.00 179.01 178.81 1ith n GLU 118 N -4.53 3.09 -0.91 2.33 1.02 -0.53 -4.85 120.64 116.25 1ith n GLU 118 Ca 0.15 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1ith n GLU 118 Cb 0.37 -0.39 0.16 0.00 -0.02 0.00 0.00 31.44 31.56 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 -0.45 0.22 -3.88 -0.32 3.72 0.05 -5.01 117.46 111.79 1ith n PHE 119 Ca 0.00 -1.38 -0.28 0.00 -0.05 0.00 0.00 57.45 55.74 1ith n PHE 119 Cb 0.00 -0.24 0.02 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.79 -3.47 -4.72 4.37 7.64 -0.72 -4.81 113.62 111.12 1ith n SER 120 Ca 0.18 -0.82 -0.40 0.00 1.01 0.00 0.00 58.87 58.84 1ith n SER 120 Cb 0.80 -3.81 -0.04 0.00 -1.01 0.00 0.00 64.21 60.14 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 -3.44 3.31 0.67 -0.43 0.00 -0.86 -5.00 121.76 116.00 1ith s ALA 121 Ca 0.45 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1ith s ALA 121 Cb -0.23 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1ith s ALA 121 CO 0.83 -0.12 1.05 0.16 0.00 0.00 0.00 175.76 177.69 1ith s ASP 122 N 0.81 5.67 0.47 0.00 -4.77 -1.26 -4.52 116.67 113.07 1ith s ASP 122 Ca 0.40 1.56 0.23 0.00 -3.30 0.00 0.00 52.55 51.44 1ith s ASP 122 Cb -0.18 -2.49 1.25 0.00 -1.09 0.00 0.00 42.92 40.41 1ith s ASP 122 CO 0.20 -1.25 1.88 -0.65 0.70 0.00 0.00 175.17 176.05 1ith h PRO 123 N -0.55 0.22 -0.11 2.11 0.11 -1.99 -0.80 132.00 130.99 1ith h PRO 123 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1ith h PRO 123 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ith h PRO 123 CO 0.58 0.15 -0.17 1.15 -0.21 0.00 0.00 178.00 179.50 1ith h THR 124 N 0.23 1.38 -0.24 -1.15 2.02 -1.99 -1.10 112.91 112.06 1ith h THR 124 Ca 0.43 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1ith h THR 124 Cb 1.34 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 1ith h THR 124 CO -0.10 0.41 0.08 0.74 0.37 0.00 0.00 175.52 177.01 1ith h THR 125 N -0.11 0.94 -0.42 3.16 2.02 -1.64 -0.13 112.91 116.73 1ith h THR 125 Ca 0.01 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1ith h THR 125 Cb 0.73 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1ith h THR 125 CO 0.04 0.03 0.22 0.58 0.37 0.00 0.00 175.52 176.76 1ith h VAL 126 N 0.19 0.99 -0.73 3.16 2.07 -0.99 -0.60 116.25 120.35 1ith h VAL 126 Ca 0.10 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ith h VAL 126 Cb 0.07 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1ith h VAL 126 CO -0.11 0.08 0.30 0.00 0.02 0.00 0.00 177.57 177.87 1ith h ALA 127 N 1.22 1.16 -0.01 1.67 0.00 -1.02 -1.79 119.26 120.49 1ith h ALA 127 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ith h ALA 127 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ith h ALA 127 CO -0.12 0.61 -0.35 0.00 0.00 0.00 0.00 179.25 179.40 1ith h ALA 128 N 1.28 1.41 -0.05 0.00 0.00 -0.21 -1.46 119.26 120.23 1ith h ALA 128 Ca 0.25 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1ith h ALA 128 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ith h ALA 128 CO -0.02 0.44 -0.71 -1.49 0.00 0.00 0.00 179.25 177.47 1ith h TRP 129 N 0.02 0.37 -0.39 0.00 4.06 -0.44 -0.30 115.95 119.26 1ith h TRP 129 Ca -0.00 -0.16 0.02 0.00 2.06 0.00 0.00 58.89 60.80 1ith h TRP 129 Cb 0.62 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 1ith h TRP 129 CO 0.00 0.89 0.23 0.78 -3.56 0.00 0.00 178.44 176.78 1ith h GLY 130 N 1.52 0.55 0.84 1.49 0.00 -0.47 -1.47 103.07 105.53 1ith h GLY 130 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1ith h GLY 130 CO 0.11 0.16 -0.10 -0.55 0.00 0.00 0.00 176.54 176.16 1ith h ASP 131 N 0.47 -0.23 -0.94 0.19 3.32 -1.32 -3.23 116.42 114.68 1ith h ASP 131 Ca 0.16 -0.12 0.20 0.00 0.02 0.00 0.00 57.03 57.29 1ith h ASP 131 Cb 0.00 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.53 1ith h ASP 131 CO -0.07 -0.02 0.61 0.00 -1.72 0.00 0.00 179.24 178.04 1ith h ALA 132 N 0.32 2.04 0.13 3.45 0.00 -0.57 -1.50 119.26 123.14 1ith h ALA 132 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ith h ALA 132 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ith h ALA 132 CO 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 179.25 178.87 1ith h ALA 133 N 1.62 -0.18 -0.81 0.00 0.00 -1.30 0.66 119.26 119.24 1ith h ALA 133 Ca 0.51 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.44 1ith h ALA 133 Cb 1.09 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1ith h ALA 133 CO -0.24 -0.57 0.47 0.78 0.00 0.00 0.00 179.25 179.68 1ith h GLY 134 N -0.23 1.24 0.87 0.00 0.00 -1.34 -1.08 103.07 102.53 1ith h GLY 134 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1ith h GLY 134 CO 0.03 0.16 -0.09 -2.08 0.00 0.00 0.00 176.54 174.55 1ith h VAL 135 N 0.81 0.86 -0.17 4.60 2.07 -1.18 -2.87 116.25 120.37 1ith h VAL 135 Ca 0.38 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.47 1ith h VAL 135 Cb 0.31 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ith h VAL 135 CO -0.23 0.06 -0.58 -0.07 0.02 0.00 0.00 177.57 176.78 1ith h LEU 136 N -0.39 0.60 -1.16 2.57 3.38 -0.02 -2.21 115.31 118.07 1ith h LEU 136 Ca -0.03 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1ith h LEU 136 Cb 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ith h LEU 136 CO 0.04 1.05 -0.11 0.58 0.09 0.00 0.00 178.44 180.09 1ith h VAL 137 N 0.41 1.22 -0.11 1.22 2.07 -1.34 -2.79 116.25 116.93 1ith h VAL 137 Ca 0.00 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1ith h VAL 137 Cb 1.12 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1ith h VAL 137 CO 0.11 0.31 -0.40 0.00 0.02 0.00 0.00 177.57 177.61 1ith h ALA 138 N 1.47 1.14 0.00 1.67 0.00 -1.18 -2.95 119.26 119.40 1ith h ALA 138 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ith h ALA 138 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ith h ALA 138 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1ith n ALA 139 N -2.47 1.21 0.12 0.00 0.00 -0.88 -2.88 120.51 115.60 1ith n ALA 139 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1ith n ALA 139 Cb 0.47 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.00 0.00 2.86 -1.60 -3.41 114.93 112.78 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 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1ith h MET 140 CO 0.00 0.39 0.00 0.36 1.06 0.00 0.00 176.91 178.72