#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye2 s HIS 2 N 0.00 2.62 -0.26 2.03 5.65 -1.26 -4.94 115.29 119.12 1ye2 s HIS 2 Ca 0.00 -1.17 -0.09 0.00 0.25 0.00 0.00 55.06 54.05 1ye2 s HIS 2 Cb 0.00 -4.67 -0.04 0.00 -1.18 0.00 0.00 32.58 26.69 1ye2 s HIS 2 CO 0.00 -1.81 0.13 -0.51 -0.65 0.00 0.00 174.74 171.90 1ye2 s LEU 3 N 5.10 3.75 0.61 8.88 1.02 -1.26 -5.09 118.68 131.70 1ye2 s LEU 3 Ca 0.53 -0.09 -0.09 0.00 0.02 0.00 0.00 54.13 54.49 1ye2 s LEU 3 Cb 0.02 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 1ye2 s LEU 3 CO 0.02 -0.03 0.98 0.42 0.02 0.00 0.00 176.35 177.76 1ye2 s THR 4 N 1.61 4.22 0.18 5.49 -4.23 -1.26 -4.85 115.64 116.81 1ye2 s THR 4 Ca 0.07 0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.92 1ye2 s THR 4 Cb -0.15 -3.69 0.12 0.00 1.34 0.00 0.00 72.50 70.12 1ye2 s THR 4 CO 0.07 -0.83 1.69 -0.65 -0.54 0.00 0.00 174.62 174.36 1ye2 h PRO 5 N -0.29 0.12 -0.07 3.99 0.11 -1.99 0.60 132.00 134.47 1ye2 h PRO 5 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1ye2 h PRO 5 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ye2 h PRO 5 CO 0.62 0.08 -0.27 1.05 -0.21 0.00 0.00 178.00 179.27 1ye2 h GLU 6 N 0.12 0.13 -0.06 1.05 9.09 -1.99 -0.24 114.58 122.68 1ye2 h GLU 6 Ca 0.24 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.60 1ye2 h GLU 6 Cb 0.36 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.44 1ye2 h GLU 6 CO -0.40 0.39 0.00 0.93 0.05 0.00 0.00 179.01 179.99 1ye2 h GLU 7 N 0.12 0.09 -0.92 1.06 5.08 -1.51 -2.21 114.58 116.29 1ye2 h GLU 7 Ca 0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1ye2 h GLU 7 Cb 0.54 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1ye2 h GLU 7 CO 0.04 0.35 0.61 -0.22 -1.00 0.00 0.00 179.01 178.79 1ye2 h LYS 8 N -0.18 1.16 -0.36 2.33 3.64 -0.54 -0.87 116.57 121.75 1ye2 h LYS 8 Ca 0.02 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 1ye2 h LYS 8 Cb 0.31 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ye2 h LYS 8 CO 0.00 0.77 -0.41 0.66 -2.27 0.00 0.00 179.45 178.19 1ye2 h SER 9 N 1.19 0.97 -0.69 4.20 4.64 -0.97 -1.53 113.55 121.36 1ye2 h SER 9 Ca 0.36 -0.46 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1ye2 h SER 9 Cb -0.04 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.74 1ye2 h SER 9 CO -0.10 1.25 0.29 0.00 -0.87 0.00 0.00 176.83 177.40 1ye2 h ALA 10 N 0.79 0.90 -0.06 5.18 0.00 -0.86 0.68 119.26 125.89 1ye2 h ALA 10 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ye2 h ALA 10 Cb 1.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ye2 h ALA 10 CO 0.10 0.50 0.02 0.28 0.00 0.00 0.00 179.25 180.15 1ye2 h VAL 11 N 0.98 1.15 -0.37 0.00 2.07 -0.96 -2.22 116.25 116.90 1ye2 h VAL 11 Ca 0.23 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1ye2 h VAL 11 Cb 0.18 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ye2 h VAL 11 CO -0.02 0.12 -0.28 0.74 0.02 0.00 0.00 177.57 178.15 1ye2 h THR 12 N -0.06 1.28 0.12 2.57 2.02 -1.13 -1.50 112.91 116.20 1ye2 h THR 12 Ca 0.02 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 65.81 1ye2 h THR 12 Cb 0.17 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1ye2 h THR 12 CO -0.00 0.47 -0.34 0.00 0.37 0.00 0.00 175.52 176.02 1ye2 h ALA 13 N 1.02 -0.58 -0.35 6.16 0.00 0.53 -2.49 119.26 123.56 1ye2 h ALA 13 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ye2 h ALA 13 Cb 0.80 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1ye2 h ALA 13 CO 0.07 -0.89 -0.14 1.25 0.00 0.00 0.00 179.25 179.54 1ye2 h LEU 14 N -0.57 0.60 -1.74 0.00 5.85 -1.33 -3.14 115.31 114.98 1ye2 h LEU 14 Ca 0.03 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1ye2 h LEU 14 Cb 0.60 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1ye2 h LEU 14 CO -0.20 0.76 -0.17 -0.25 -0.34 0.00 0.00 178.44 178.24 1ye2 h TRP 15 N 0.56 0.00 0.00 1.25 2.91 -0.84 0.74 115.95 120.56 1ye2 h TRP 15 Ca 0.10 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1ye2 h TRP 15 Cb 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1ye2 h TRP 15 CO 0.02 0.17 0.00 0.41 -1.03 0.00 0.00 178.44 178.01 1ye2 n GLY 16 N -0.75 -1.08 0.48 2.65 0.00 -1.00 -2.14 105.19 103.34 1ye2 n GLY 16 Ca -0.02 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1ye2 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ye2 n LYS 17 N -2.05 1.28 -2.87 1.61 5.02 0.25 -4.97 118.16 116.43 1ye2 n LYS 17 Ca 0.01 -0.97 -0.40 0.00 -2.02 0.00 0.00 58.31 54.93 1ye2 n LYS 17 Cb 0.16 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1ye2 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ye2 s VAL 18 N -2.39 4.46 -0.89 -0.18 1.01 -0.91 -4.98 120.40 116.52 1ye2 s VAL 18 Ca 0.23 1.85 -0.19 0.00 0.00 0.00 0.00 61.98 63.87 1ye2 s VAL 18 Cb 0.19 -4.22 0.13 0.00 0.00 0.00 0.00 36.38 32.48 1ye2 s VAL 18 CO 0.51 0.41 1.08 0.21 0.00 0.00 0.00 175.10 177.31 1ye2 s ASN 19 N -0.50 6.58 0.31 3.32 3.84 -1.26 -4.88 114.94 122.35 1ye2 s ASN 19 Ca 0.41 -1.97 0.01 0.00 0.21 0.00 0.00 52.86 51.51 1ye2 s ASN 19 Cb -0.23 -2.39 0.53 0.00 -0.55 0.00 0.00 41.25 38.61 1ye2 s ASN 19 CO 0.27 -1.07 1.94 -0.37 -2.79 0.00 0.00 177.10 175.08 1ye2 h VAL 20 N 5.79 1.11 0.00 -5.21 -1.51 -1.94 -1.27 116.25 113.22 1ye2 h VAL 20 Ca 0.10 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1ye2 h VAL 20 Cb 1.03 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1ye2 h VAL 20 CO 1.09 0.19 0.00 0.47 -1.23 0.00 0.00 177.57 178.09 1ye2 n ASP 21 N -4.46 0.00 -0.23 4.19 9.92 -1.26 -0.96 116.55 123.75 1ye2 n ASP 21 Ca 0.12 0.85 0.02 0.00 -0.53 0.00 0.00 54.79 55.24 1ye2 n ASP 21 Cb 0.15 -0.35 0.10 0.00 -0.64 0.00 0.00 41.12 40.39 1ye2 n ASP 21 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ye2 h GLU 22 N 0.00 0.06 -0.58 -1.24 4.81 -1.81 -1.93 114.58 113.89 1ye2 h GLU 22 Ca 0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1ye2 h GLU 22 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1ye2 h GLU 22 CO 0.00 0.04 0.05 0.28 -0.73 0.00 0.00 179.01 178.64 1ye2 h VAL 23 N 0.06 1.25 -0.41 0.32 2.07 -1.11 -1.72 116.25 116.71 1ye2 h VAL 23 Ca 0.35 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1ye2 h VAL 23 Cb 0.57 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1ye2 h VAL 23 CO -0.64 0.38 0.27 1.23 0.02 0.00 0.00 177.57 178.83 1ye2 h GLY 24 N 1.01 0.57 1.03 2.17 0.00 -0.25 -0.33 103.07 107.28 1ye2 h GLY 24 Ca 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1ye2 h GLY 24 CO 0.02 0.20 0.30 -1.33 0.00 0.00 0.00 176.54 175.73 1ye2 h GLY 25 N 0.54 1.19 1.03 4.60 0.00 -1.20 -2.25 103.07 106.98 1ye2 h GLY 25 Ca 0.15 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1ye2 h GLY 25 CO -0.04 0.61 -0.01 0.83 0.00 0.00 0.00 176.54 177.92 1ye2 h GLU 26 N 1.07 0.93 -0.24 4.80 4.39 -0.99 -1.49 114.58 123.04 1ye2 h GLU 26 Ca 0.25 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1ye2 h GLU 26 Cb 0.21 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ye2 h GLU 26 CO -0.02 0.96 -0.20 0.00 -1.16 0.00 0.00 179.01 178.59 1ye2 h ALA 27 N 0.94 0.35 -0.43 3.43 0.00 -0.94 -1.21 119.26 121.40 1ye2 h ALA 27 Ca 0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1ye2 h ALA 27 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ye2 h ALA 27 CO 0.03 0.28 0.08 1.25 0.00 0.00 0.00 179.25 180.89 1ye2 h LEU 28 N 0.26 0.67 -0.33 0.00 5.85 -1.43 -1.68 115.31 118.65 1ye2 h LEU 28 Ca 0.04 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1ye2 h LEU 28 Cb 0.74 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1ye2 h LEU 28 CO 0.05 0.75 0.21 1.23 -0.34 0.00 0.00 178.44 180.34 1ye2 h GLY 29 N 0.56 0.47 1.22 3.75 0.00 -1.23 -2.27 103.07 105.58 1ye2 h GLY 29 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1ye2 h GLY 29 CO 0.01 0.18 0.26 3.21 0.00 0.00 0.00 176.54 180.20 1ye2 h ARG 30 N 0.43 1.00 -0.32 4.80 3.08 -1.07 -1.18 114.38 121.12 1ye2 h ARG 30 Ca 0.12 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1ye2 h ARG 30 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1ye2 h ARG 30 CO -0.02 0.82 0.15 1.25 -1.07 0.00 0.00 179.97 181.09 1ye2 h LEU 31 N 0.97 0.21 -1.53 3.04 5.85 -0.91 0.25 115.31 123.20 1ye2 h LEU 31 Ca 0.23 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1ye2 h LEU 31 Cb 0.20 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1ye2 h LEU 31 CO -0.02 0.16 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.95 1ye2 h LEU 32 N 0.31 0.00 0.12 2.25 3.38 -0.70 -1.61 115.31 119.05 1ye2 h LEU 32 Ca 0.14 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.78 1ye2 h LEU 32 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ye2 h LEU 32 CO -0.11 0.22 -1.76 0.58 0.09 0.00 0.00 178.44 177.46 1ye2 h VAL 33 N 0.00 0.78 0.02 1.22 2.07 -0.58 -3.30 116.25 116.46 1ye2 h VAL 33 Ca -0.00 -2.35 -0.27 0.00 0.82 0.00 0.00 66.70 64.89 1ye2 h VAL 33 Cb 0.53 2.54 0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1ye2 h VAL 33 CO 0.03 0.78 -1.07 0.58 0.02 0.00 0.00 177.57 177.91 1ye2 h VAL 34 N -0.13 1.29 -2.38 2.57 2.07 -0.46 -3.35 116.25 115.86 1ye2 h VAL 34 Ca -0.38 -2.29 -0.61 0.00 0.82 0.00 0.00 66.70 64.24 1ye2 h VAL 34 Cb 1.90 2.43 -0.42 0.00 -1.52 0.00 0.00 31.29 33.68 1ye2 h VAL 34 CO 0.06 0.71 -0.56 0.49 0.02 0.00 0.00 177.57 178.28 1ye2 n PHE 35 N -3.84 3.58 0.15 1.57 3.72 -0.61 -4.98 117.46 117.06 1ye2 n PHE 35 Ca -0.11 -4.17 0.19 0.00 -0.05 0.00 0.00 57.45 53.31 1ye2 n PHE 35 Cb 0.90 -0.59 0.79 0.00 -0.94 0.00 0.00 39.48 39.64 1ye2 n PHE 35 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1ye2 h PRO 36 N 4.43 0.00 0.00 -1.08 0.11 -1.70 -1.51 132.00 132.25 1ye2 h PRO 36 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ye2 h PRO 36 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1ye2 h PRO 36 CO 0.82 0.00 -0.01 0.11 -0.21 0.00 0.00 178.00 178.71 1ye2 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.36 115.95 113.42 1ye2 h TRP 37 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.12 1ye2 h TRP 37 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.04 1ye2 h TRP 37 CO 0.00 0.01 0.00 0.25 0.09 0.00 0.00 178.44 178.79 1ye2 n THR 38 N -3.22 0.59 0.41 0.12 -2.24 -0.57 -2.41 114.28 106.95 1ye2 n THR 38 Ca -0.02 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1ye2 n THR 38 Cb 0.14 -0.93 0.50 0.00 -2.10 0.00 0.00 70.33 67.94 1ye2 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ye2 h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.47 -3.24 115.11 113.82 1ye2 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ye2 h GLN 39 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1ye2 h GLN 39 CO 0.00 0.00 0.19 0.07 -0.67 0.00 0.00 178.83 178.42 1ye2 h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.71 -1.74 114.38 112.50 1ye2 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ye2 h ARG 40 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 1ye2 h ARG 40 CO 0.00 0.00 -0.59 1.19 0.10 0.00 0.00 179.97 180.67 1ye2 n PHE 41 N -2.92 0.00 -2.04 4.08 3.01 -1.22 -4.51 117.46 113.87 1ye2 n PHE 41 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.39 1ye2 n PHE 41 Cb 0.25 -0.11 0.10 0.00 -0.01 0.00 0.00 39.48 39.70 1ye2 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1ye2 n PHE 42 N -1.09 1.07 0.26 1.38 3.01 -0.65 -4.82 117.46 116.62 1ye2 n PHE 42 Ca 0.07 -1.67 0.13 0.00 1.01 0.00 0.00 57.45 56.99 1ye2 n PHE 42 Cb 0.36 -0.26 0.72 0.00 -0.01 0.00 0.00 39.48 40.28 1ye2 n PHE 42 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1ye2 h GLU 43 N 1.60 0.00 0.00 -1.08 4.11 -1.79 -1.38 114.58 116.04 1ye2 h GLU 43 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1ye2 h GLU 43 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ye2 h GLU 43 CO 0.29 0.12 0.00 -1.13 0.07 0.00 0.00 179.01 178.36 1ye2 n SER 44 N -3.64 0.00 -0.17 3.06 3.41 -1.26 -2.85 113.62 112.17 1ye2 n SER 44 Ca -0.02 -0.34 0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1ye2 n SER 44 Cb 0.24 -0.18 0.63 0.00 -0.26 0.00 0.00 64.21 64.65 1ye2 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ye2 n PHE 45 N -1.18 0.00 -1.08 7.33 0.99 -0.52 -5.03 117.46 117.98 1ye2 n PHE 45 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1ye2 n PHE 45 Cb 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 1ye2 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ye2 n GLY 46 N 1.22 0.63 3.65 1.37 0.00 -1.13 -4.85 105.19 106.08 1ye2 n GLY 46 Ca 0.17 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1ye2 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ye2 s ASP 47 N -4.00 6.97 -0.08 1.61 3.68 -1.26 -4.85 116.67 118.74 1ye2 s ASP 47 Ca 0.00 1.42 0.19 0.00 2.13 0.00 0.00 52.55 56.29 1ye2 s ASP 47 Cb 0.00 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.33 1ye2 s ASP 47 CO 0.00 -0.78 1.18 0.18 0.13 0.00 0.00 175.17 175.88 1ye2 n LEU 48 N 6.66 1.63 0.17 -1.34 4.77 -1.26 -4.27 117.00 123.36 1ye2 n LEU 48 Ca 0.13 -2.69 0.04 0.00 -0.03 0.00 0.00 56.01 53.46 1ye2 n LEU 48 Cb 0.46 -0.21 0.23 0.00 -2.33 0.00 0.00 43.42 41.56 1ye2 n LEU 48 CO 0.56 0.83 0.59 0.77 -1.33 0.00 0.00 177.39 178.81 1ye2 h SER 49 N 0.91 0.00 -4.91 -1.43 4.64 -1.91 -3.44 113.55 107.42 1ye2 h SER 49 Ca -0.12 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.97 1ye2 h SER 49 Cb 1.51 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.45 1ye2 h SER 49 CO 0.05 0.44 -0.66 0.42 -0.87 0.00 0.00 176.83 176.21 1ye2 s THR 50 N -3.38 0.44 0.17 2.95 -4.23 -1.26 -5.03 115.64 105.29 1ye2 s THR 50 Ca 0.01 -1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 58.42 1ye2 s THR 50 Cb 0.10 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 72.03 1ye2 s THR 50 CO 0.71 -0.56 1.68 -0.65 -0.54 0.00 0.00 174.62 175.25 1ye2 h PRO 51 N 2.82 0.02 -0.98 3.99 0.11 -1.98 -1.68 132.00 134.30 1ye2 h PRO 51 Ca -0.36 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1ye2 h PRO 51 Cb 1.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1ye2 h PRO 51 CO 0.62 0.02 0.65 -0.44 -0.21 0.00 0.00 178.00 178.64 1ye2 h ASP 52 N 0.02 1.13 -0.83 -2.05 3.32 -1.98 0.17 116.42 116.20 1ye2 h ASP 52 Ca 0.19 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1ye2 h ASP 52 Cb 0.29 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1ye2 h ASP 52 CO -0.39 0.82 0.45 0.00 -1.72 0.00 0.00 179.24 178.40 1ye2 h ALA 53 N 1.39 1.21 0.19 3.45 0.00 -1.70 -1.63 119.26 122.17 1ye2 h ALA 53 Ca 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ye2 h ALA 53 Cb -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.30 1ye2 h ALA 53 CO -0.08 0.63 -0.09 0.28 0.00 0.00 0.00 179.25 179.99 1ye2 h VAL 54 N 1.18 0.70 -0.49 0.00 2.07 -0.69 -2.85 116.25 116.16 1ye2 h VAL 54 Ca 0.30 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ye2 h VAL 54 Cb 0.04 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ye2 h VAL 54 CO -0.05 0.18 0.30 0.24 0.02 0.00 0.00 177.57 178.26 1ye2 h MET 55 N -0.91 0.66 -0.02 1.57 2.07 -0.97 -2.62 114.93 114.70 1ye2 h MET 55 Ca -0.03 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1ye2 h MET 55 Cb 0.50 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 1ye2 h MET 55 CO 0.04 0.46 -0.13 0.41 1.07 0.00 0.00 176.91 178.77 1ye2 n GLY 56 N -1.38 0.36 3.65 8.32 0.00 -0.62 -4.80 105.19 110.72 1ye2 n GLY 56 Ca 0.04 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1ye2 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ye2 s ASN 57 N -2.15 6.38 0.54 1.61 3.84 -0.99 -4.86 114.94 119.30 1ye2 s ASN 57 Ca 0.28 2.48 0.22 0.00 0.21 0.00 0.00 52.86 56.05 1ye2 s ASN 57 Cb 0.20 -2.53 1.48 0.00 -0.55 0.00 0.00 41.25 39.85 1ye2 s ASN 57 CO 0.39 -1.14 2.18 -0.65 -2.79 0.00 0.00 177.10 175.09 1ye2 h PRO 58 N 10.91 0.00 0.08 0.43 0.11 -1.90 -1.42 132.00 140.20 1ye2 h PRO 58 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 1ye2 h PRO 58 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ye2 h PRO 58 CO 0.95 0.02 -1.12 0.87 -0.21 0.00 0.00 178.00 178.50 1ye2 h LYS 59 N 0.00 0.29 -0.11 1.05 1.57 -1.89 -1.22 116.57 116.26 1ye2 h LYS 59 Ca -0.00 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1ye2 h LYS 59 Cb 0.03 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1ye2 h LYS 59 CO 0.00 1.16 0.06 0.28 -0.57 0.00 0.00 179.45 180.37 1ye2 h VAL 60 N 0.11 1.11 -0.69 0.50 2.07 -1.65 -0.26 116.25 117.44 1ye2 h VAL 60 Ca -0.11 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ye2 h VAL 60 Cb 1.82 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1ye2 h VAL 60 CO 0.18 0.10 0.42 0.11 0.02 0.00 0.00 177.57 178.40 1ye2 h LYS 61 N 0.06 0.94 -0.38 1.57 1.57 -1.27 0.69 116.57 119.75 1ye2 h LYS 61 Ca 0.04 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1ye2 h LYS 61 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1ye2 h LYS 61 CO -0.01 0.67 -0.37 0.00 -0.57 0.00 0.00 179.45 179.17 1ye2 h ALA 62 N 1.22 0.62 -0.58 3.86 0.00 -1.15 -2.72 119.26 120.50 1ye2 h ALA 62 Ca 0.25 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1ye2 h ALA 62 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ye2 h ALA 62 CO -0.05 0.68 0.15 1.25 0.00 0.00 0.00 179.25 181.28 1ye2 h HIS 63 N 0.74 0.96 -0.91 0.00 -0.00 -0.52 -2.88 115.15 112.55 1ye2 h HIS 63 Ca 0.06 -0.11 0.12 0.00 -0.00 0.00 0.00 60.37 60.44 1ye2 h HIS 63 Cb 0.96 -0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 28.02 1ye2 h HIS 63 CO 0.06 0.82 0.58 0.78 -0.00 0.00 0.00 177.93 180.17 1ye2 h GLY 64 N 0.83 1.31 1.14 5.26 0.00 -0.76 -1.04 103.07 109.82 1ye2 h GLY 64 Ca 0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1ye2 h GLY 64 CO -0.00 0.15 0.31 1.70 0.00 0.00 0.00 176.54 178.69 1ye2 h LYS 65 N 0.81 1.10 0.19 4.80 3.64 -1.27 -1.13 116.57 124.71 1ye2 h LYS 65 Ca 0.44 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1ye2 h LYS 65 Cb 0.56 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1ye2 h LYS 65 CO -0.20 0.88 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.55 1ye2 h LYS 66 N 1.07 -0.25 -0.44 1.90 3.64 -1.14 -0.32 116.57 121.04 1ye2 h LYS 66 Ca 0.25 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.73 1ye2 h LYS 66 Cb 0.19 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1ye2 h LYS 66 CO -0.02 -0.05 0.04 0.28 -2.27 0.00 0.00 179.45 177.43 1ye2 h VAL 67 N -0.41 0.71 0.00 2.00 2.07 -1.04 -2.03 116.25 117.55 1ye2 h VAL 67 Ca -0.03 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1ye2 h VAL 67 Cb 0.31 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1ye2 h VAL 67 CO 0.04 0.03 -0.49 -0.07 0.02 0.00 0.00 177.57 177.10 1ye2 h LEU 68 N 0.16 0.00 -0.50 2.57 -0.00 -1.15 -1.63 115.31 114.76 1ye2 h LEU 68 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.06 1ye2 h LEU 68 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 1ye2 h LEU 68 CO -0.33 0.49 0.16 1.23 -0.00 0.00 0.00 178.44 179.99 1ye2 h GLY 69 N 2.26 0.84 1.21 0.83 0.00 -0.66 -0.82 103.07 106.74 1ye2 h GLY 69 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1ye2 h GLY 69 CO 0.06 0.47 -0.04 0.00 0.00 0.00 0.00 176.54 177.03 1ye2 h ALA 70 N 1.02 0.92 -0.40 3.60 0.00 -1.12 -2.75 119.26 120.53 1ye2 h ALA 70 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ye2 h ALA 70 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ye2 h ALA 70 CO -0.00 0.64 0.22 0.35 0.00 0.00 0.00 179.25 180.45 1ye2 h PHE 71 N 0.86 0.55 -1.00 0.00 3.57 -1.04 -1.40 116.94 118.48 1ye2 h PHE 71 Ca 0.15 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1ye2 h PHE 71 Cb 0.56 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 1ye2 h PHE 71 CO 0.03 0.42 0.64 0.77 -2.23 0.00 0.00 178.31 177.95 1ye2 h SER 72 N 0.52 1.02 -0.10 0.41 0.02 -1.07 0.22 113.55 114.56 1ye2 h SER 72 Ca 0.14 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1ye2 h SER 72 Cb 0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1ye2 h SER 72 CO -0.02 0.64 -0.17 0.44 -1.14 0.00 0.00 176.83 176.57 1ye2 h ASP 73 N 1.15 0.47 -0.74 3.07 5.19 -1.17 -0.11 116.42 124.28 1ye2 h ASP 73 Ca 0.44 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.68 1ye2 h ASP 73 Cb 0.20 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 1ye2 h ASP 73 CO -0.18 0.67 0.34 1.23 -3.12 0.00 0.00 179.24 178.17 1ye2 h GLY 74 N 0.96 1.15 2.00 2.75 0.00 0.10 -2.66 103.07 107.37 1ye2 h GLY 74 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ye2 h GLY 74 CO 0.04 0.56 0.00 1.41 0.00 0.00 0.00 176.54 178.54 1ye2 h LEU 75 N 1.04 0.00 -0.59 3.11 3.38 0.33 0.93 115.31 123.52 1ye2 h LEU 75 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ye2 h LEU 75 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ye2 h LEU 75 CO -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.35 1ye2 n ALA 76 N -2.04 2.87 -2.65 1.53 0.00 -0.89 -4.22 120.51 115.12 1ye2 n ALA 76 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1ye2 n ALA 76 Cb 0.14 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.44 1ye2 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye2 n HIS 77 N -0.45 1.32 0.30 0.00 8.25 0.31 -4.93 115.22 120.02 1ye2 n HIS 77 Ca 0.15 -2.82 0.18 0.00 -0.26 0.00 0.00 57.72 54.97 1ye2 n HIS 77 Cb 0.33 -0.36 0.96 0.00 1.12 0.00 0.00 29.99 32.05 1ye2 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ye2 h LEU 78 N 2.97 0.00 -0.46 2.41 -0.00 -1.69 -0.26 115.31 118.27 1ye2 h LEU 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1ye2 h LEU 78 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1ye2 h LEU 78 CO 0.53 0.03 -0.10 0.47 -0.00 0.00 0.00 178.44 179.37 1ye2 n ASP 79 N -3.44 0.82 -2.97 -0.43 10.43 -1.26 -4.25 116.55 115.45 1ye2 n ASP 79 Ca -0.02 -0.95 -0.14 0.00 2.57 0.00 0.00 54.79 56.25 1ye2 n ASP 79 Cb 0.14 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.12 1ye2 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1ye2 n ASN 80 N -0.58 -0.00 -0.25 -2.24 5.15 -0.12 -4.95 115.26 112.27 1ye2 n ASN 80 Ca 0.16 -3.10 -0.06 0.00 -0.60 0.00 0.00 54.58 50.99 1ye2 n ASN 80 Cb 0.29 0.10 0.09 0.00 -0.53 0.00 0.00 39.78 39.73 1ye2 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ye2 h LEU 81 N 2.94 1.03 -0.32 1.20 3.38 -1.72 -1.92 115.31 119.90 1ye2 h LEU 81 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1ye2 h LEU 81 Cb 1.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1ye2 h LEU 81 CO 0.38 0.96 0.17 0.11 0.09 0.00 0.00 178.44 180.15 1ye2 h LYS 82 N 1.07 0.45 -0.33 1.13 1.57 -1.91 -1.58 116.57 116.96 1ye2 h LYS 82 Ca 0.23 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1ye2 h LYS 82 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ye2 h LYS 82 CO -0.01 0.38 0.03 0.78 -0.57 0.00 0.00 179.45 180.06 1ye2 h GLY 83 N 0.40 0.60 0.45 3.86 0.00 -1.93 -2.30 103.07 104.16 1ye2 h GLY 83 Ca 0.11 -0.42 0.08 0.00 0.00 0.00 0.00 47.33 47.10 1ye2 h GLY 83 CO -0.02 0.39 0.23 -0.84 0.00 0.00 0.00 176.54 176.31 1ye2 h THR 84 N 0.38 0.81 -0.27 4.70 2.02 -1.15 -2.79 112.91 116.61 1ye2 h THR 84 Ca 0.10 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ye2 h THR 84 Cb 0.40 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ye2 h THR 84 CO 0.01 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.47 1ye2 n PHE 85 N -4.97 0.34 -0.09 3.16 3.01 -0.61 -4.60 117.46 113.68 1ye2 n PHE 85 Ca 0.08 -0.17 -0.06 0.00 1.01 0.00 0.00 57.45 58.31 1ye2 n PHE 85 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1ye2 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ye2 h ALA 86 N 4.35 0.16 -0.39 4.37 0.00 -1.12 0.21 119.26 126.84 1ye2 h ALA 86 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1ye2 h ALA 86 Cb 0.79 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ye2 h ALA 86 CO 0.00 -0.51 -0.16 1.79 0.00 0.00 0.00 179.25 180.37 1ye2 h THR 87 N -0.06 1.26 -0.43 0.00 1.35 -1.81 -1.77 112.91 111.45 1ye2 h THR 87 Ca 0.17 -1.23 -0.10 0.00 -0.55 0.00 0.00 66.41 64.70 1ye2 h THR 87 Cb 0.32 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1ye2 h THR 87 CO -0.39 0.41 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.08 1ye2 h LEU 88 N 0.66 0.80 0.12 3.87 4.07 -1.77 -2.07 115.31 120.98 1ye2 h LEU 88 Ca 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1ye2 h LEU 88 Cb 0.64 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1ye2 h LEU 88 CO 0.05 0.95 -0.06 -1.28 -1.08 0.00 0.00 178.44 177.02 1ye2 h SER 89 N 0.71 -0.13 -0.73 -0.43 0.87 -0.24 -1.36 113.55 112.25 1ye2 h SER 89 Ca 0.11 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1ye2 h SER 89 Cb 0.64 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 1ye2 h SER 89 CO 0.04 -0.09 0.40 -0.33 -0.53 0.00 0.00 176.83 176.32 1ye2 h GLU 90 N -0.16 0.68 -0.12 2.24 5.08 -1.25 -1.79 114.58 119.26 1ye2 h GLU 90 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ye2 h GLU 90 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ye2 h GLU 90 CO 0.03 0.45 0.06 1.25 -1.00 0.00 0.00 179.01 179.80 1ye2 h LEU 91 N 0.70 0.15 -1.27 1.33 5.85 -1.20 0.24 115.31 121.11 1ye2 h LEU 91 Ca 0.34 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1ye2 h LEU 91 Cb 0.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1ye2 h LEU 91 CO -0.23 0.20 -0.28 0.45 -0.34 0.00 0.00 178.44 178.25 1ye2 h HIS 92 N 0.09 0.15 0.10 1.25 3.86 -0.90 -1.58 115.15 118.12 1ye2 h HIS 92 Ca 0.04 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1ye2 h HIS 92 Cb 0.09 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1ye2 h HIS 92 CO -0.04 0.41 -0.05 0.00 0.86 0.00 0.00 177.93 179.12 1ye2 h ASP 94 N -0.50 0.35 0.00 0.00 3.32 -0.58 -2.86 116.42 116.16 1ye2 h ASP 94 Ca -0.01 -0.24 -0.31 0.00 0.02 0.00 0.00 57.03 56.49 1ye2 h ASP 94 Cb 0.10 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1ye2 h ASP 94 CO 0.02 0.97 -2.17 0.29 -1.72 0.00 0.00 179.24 176.64 1ye2 n LYS 95 N -3.79 0.68 0.02 3.56 4.01 -0.67 -4.71 118.16 117.26 1ye2 n LYS 95 Ca -0.04 0.10 0.11 0.00 -0.51 0.00 0.00 58.31 57.97 1ye2 n LYS 95 Cb 0.72 -1.42 -0.11 0.00 -0.51 0.00 0.00 35.03 33.71 1ye2 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ye2 n LEU 96 N -3.01 0.31 -3.55 -0.35 4.77 -0.76 -5.01 117.00 109.41 1ye2 n LEU 96 Ca -0.35 0.05 -0.19 0.00 -0.03 0.00 0.00 56.01 55.49 1ye2 n LEU 96 Cb 0.92 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 42.05 1ye2 n LEU 96 CO 0.23 -0.03 0.06 1.41 -1.33 0.00 0.00 177.39 177.74 1ye2 n HIS 97 N -2.29 -2.16 -3.65 -1.77 8.25 -0.45 -4.96 115.22 108.19 1ye2 n HIS 97 Ca -0.02 0.91 -0.38 0.00 -0.26 0.00 0.00 57.72 57.98 1ye2 n HIS 97 Cb 0.54 -4.83 -0.12 0.00 1.12 0.00 0.00 29.99 26.71 1ye2 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ye2 s VAL 98 N -3.45 4.90 0.02 1.59 1.01 -0.50 -5.03 120.40 118.94 1ye2 s VAL 98 Ca 0.07 -0.01 -0.32 0.00 0.00 0.00 0.00 61.98 61.72 1ye2 s VAL 98 Cb -0.03 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1ye2 s VAL 98 CO 0.76 0.26 1.90 -0.67 0.00 0.00 0.00 175.10 177.34 1ye2 n ASP 99 N 5.01 3.85 0.25 3.32 4.64 -1.26 -4.73 116.55 127.63 1ye2 n ASP 99 Ca -0.15 0.95 0.15 0.00 -1.38 0.00 0.00 54.79 54.37 1ye2 n ASP 99 Cb 0.51 -1.47 0.82 0.00 -1.04 0.00 0.00 41.12 39.94 1ye2 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1ye2 h PRO 100 N 9.48 0.00 -0.62 -0.67 0.11 -1.97 -0.64 132.00 137.69 1ye2 h PRO 100 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.69 1ye2 h PRO 100 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1ye2 h PRO 100 CO 0.94 0.00 0.41 1.49 -0.21 0.00 0.00 178.00 180.63 1ye2 h GLU 101 N 0.00 0.56 -0.83 1.05 4.57 -1.98 0.22 114.58 118.17 1ye2 h GLU 101 Ca 0.00 -0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.30 1ye2 h GLU 101 Cb 0.18 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1ye2 h GLU 101 CO 0.00 0.37 0.55 -0.91 -1.18 0.00 0.00 179.01 177.84 1ye2 h ASN 102 N 0.58 0.48 -0.02 1.04 4.21 -1.48 -0.73 115.58 119.66 1ye2 h ASN 102 Ca 0.27 0.03 -0.07 0.00 1.21 0.00 0.00 56.30 57.75 1ye2 h ASN 102 Cb 0.33 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1ye2 h ASN 102 CO -0.08 0.24 -0.18 -0.26 -1.29 0.00 0.00 177.43 175.86 1ye2 h PHE 103 N 0.51 0.39 -0.22 1.19 0.04 -1.13 -1.75 116.94 115.97 1ye2 h PHE 103 Ca 0.42 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 61.06 1ye2 h PHE 103 Cb 0.87 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 1ye2 h PHE 103 CO -0.00 0.53 -0.11 0.00 -0.60 0.00 0.00 178.31 178.13 1ye2 h ARG 104 N 0.33 0.46 -0.18 1.51 3.08 -1.09 -2.19 114.38 116.30 1ye2 h ARG 104 Ca 0.06 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1ye2 h ARG 104 Cb 0.51 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1ye2 h ARG 104 CO 0.03 0.74 0.07 -0.07 -1.07 0.00 0.00 179.97 179.68 1ye2 h LEU 105 N 0.17 0.10 -0.93 3.04 3.38 -1.27 -2.09 115.31 117.71 1ye2 h LEU 105 Ca 0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1ye2 h LEU 105 Cb 0.60 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1ye2 h LEU 105 CO 0.03 0.08 0.59 0.25 0.09 0.00 0.00 178.44 179.49 1ye2 h LEU 106 N 0.17 0.95 -0.26 1.67 5.85 -1.31 -1.38 115.31 120.99 1ye2 h LEU 106 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ye2 h LEU 106 Cb 0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1ye2 h LEU 106 CO -0.06 0.61 0.17 1.23 -0.34 0.00 0.00 178.44 180.04 1ye2 h GLY 107 N 1.08 0.37 1.23 3.75 0.00 -0.98 0.21 103.07 108.72 1ye2 h GLY 107 Ca 0.40 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1ye2 h GLY 107 CO -0.17 0.13 0.05 3.43 0.00 0.00 0.00 176.54 179.97 1ye2 h ASN 108 N 0.34 0.90 -0.46 0.19 2.35 -1.11 -1.57 115.58 116.23 1ye2 h ASN 108 Ca 0.10 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1ye2 h ASN 108 Cb -0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1ye2 h ASN 108 CO -0.03 0.93 0.04 0.58 -1.65 0.00 0.00 177.43 177.31 1ye2 h VAL 109 N 0.88 1.24 -0.84 2.81 2.07 -0.82 -1.90 116.25 119.69 1ye2 h VAL 109 Ca 0.17 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1ye2 h VAL 109 Cb 0.45 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1ye2 h VAL 109 CO 0.02 0.35 0.40 0.25 0.02 0.00 0.00 177.57 178.61 1ye2 h LEU 110 N 0.80 1.10 -0.44 2.57 5.85 -0.10 -1.20 115.31 123.88 1ye2 h LEU 110 Ca 0.16 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1ye2 h LEU 110 Cb 0.42 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ye2 h LEU 110 CO 0.01 0.92 0.24 0.58 -0.34 0.00 0.00 178.44 179.86 1ye2 h VAL 111 N 1.20 1.17 -0.89 1.05 2.07 -0.78 -0.51 116.25 119.56 1ye2 h VAL 111 Ca 0.29 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1ye2 h VAL 111 Cb 0.12 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1ye2 h VAL 111 CO -0.04 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.31 1ye2 h VAL 113 N 1.13 1.28 -0.74 0.00 2.07 -0.63 0.94 116.25 120.30 1ye2 h VAL 113 Ca 0.35 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1ye2 h VAL 113 Cb -0.01 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1ye2 h VAL 113 CO -0.10 0.46 0.26 -0.07 0.02 0.00 0.00 177.57 178.15 1ye2 h LEU 114 N 0.60 1.05 -0.52 2.57 3.38 -0.84 -0.72 115.31 120.83 1ye2 h LEU 114 Ca 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ye2 h LEU 114 Cb 0.82 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ye2 h LEU 114 CO 0.07 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.88 1ye2 h ALA 115 N 1.19 0.66 -0.65 1.53 0.00 -1.06 -0.65 119.26 120.27 1ye2 h ALA 115 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ye2 h ALA 115 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ye2 h ALA 115 CO -0.01 0.13 0.26 1.25 0.00 0.00 0.00 179.25 180.88 1ye2 h HIS 116 N 0.70 1.00 -0.00 0.00 -0.00 -0.11 -0.57 115.15 116.17 1ye2 h HIS 116 Ca 0.19 -0.08 -0.24 0.00 -0.00 0.00 0.00 60.37 60.24 1ye2 h HIS 116 Cb -0.04 -0.30 0.02 0.00 -0.00 0.00 0.00 27.41 27.09 1ye2 h HIS 116 CO -0.03 0.78 -0.95 0.45 -0.00 0.00 0.00 177.93 178.18 1ye2 h HIS 117 N 0.92 0.96 0.00 5.26 -0.00 -0.96 -3.36 115.15 117.98 1ye2 h HIS 117 Ca 0.22 -0.52 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 1ye2 h HIS 117 Cb 0.21 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1ye2 h HIS 117 CO 0.01 1.36 -0.79 1.19 -0.00 0.00 0.00 177.93 179.71 1ye2 n PHE 118 N -3.93 0.12 -2.08 2.45 3.01 -0.27 -5.03 117.46 111.74 1ye2 n PHE 118 Ca -0.11 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1ye2 n PHE 118 Cb 0.84 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1ye2 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ye2 n GLY 119 N 1.45 2.76 0.32 1.37 0.00 -0.23 -2.17 105.19 108.68 1ye2 n GLY 119 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1ye2 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ye2 h LYS 120 N 0.00 -0.17 -0.79 1.61 3.11 -1.96 -0.71 116.57 117.66 1ye2 h LYS 120 Ca 0.00 0.01 0.24 0.00 -2.81 0.00 0.00 60.65 58.09 1ye2 h LYS 120 Cb 0.00 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.23 1ye2 h LYS 120 CO 0.00 -0.11 0.56 -1.91 -2.81 0.00 0.00 179.45 175.18 1ye2 n GLU 121 N -4.64 -0.00 -2.32 1.90 2.13 -0.92 -2.80 120.64 113.99 1ye2 n GLU 121 Ca -0.01 0.47 -0.43 0.00 0.66 0.00 0.00 57.16 57.86 1ye2 n GLU 121 Cb 0.22 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1ye2 n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ye2 n PHE 122 N -2.95 3.99 -1.39 4.31 7.35 -0.27 -4.95 117.46 123.55 1ye2 n PHE 122 Ca 0.19 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.62 1ye2 n PHE 122 Cb 0.82 -2.39 0.13 0.00 0.35 0.00 0.00 39.48 38.40 1ye2 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ye2 s THR 123 N 2.61 2.42 0.15 -2.13 -4.23 -1.12 -4.69 115.64 108.64 1ye2 s THR 123 Ca 0.47 0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.91 1ye2 s THR 123 Cb 0.07 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1ye2 s THR 123 CO -0.00 -0.18 1.66 -0.65 -0.54 0.00 0.00 174.62 174.91 1ye2 h PRO 124 N -1.50 -0.10 -0.53 3.99 0.11 -1.93 -0.24 132.00 131.80 1ye2 h PRO 124 Ca -0.50 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1ye2 h PRO 124 Cb 1.31 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1ye2 h PRO 124 CO 0.59 -0.06 0.36 -1.35 -0.21 0.00 0.00 178.00 177.32 1ye2 h PRO 125 N -0.10 0.37 -0.03 1.05 0.11 -1.99 -0.94 132.00 130.46 1ye2 h PRO 125 Ca 0.15 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.01 1ye2 h PRO 125 Cb 0.32 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.35 1ye2 h PRO 125 CO -0.34 0.24 -0.90 0.28 -0.21 0.00 0.00 178.00 177.07 1ye2 h VAL 126 N 0.38 1.36 -0.36 3.15 2.07 -1.73 -2.54 116.25 118.58 1ye2 h VAL 126 Ca 0.24 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 1ye2 h VAL 126 Cb 0.46 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1ye2 h VAL 126 CO -0.06 0.70 0.20 -0.61 0.02 0.00 0.00 177.57 177.81 1ye2 h GLN 127 N 0.30 0.50 -1.01 1.57 4.15 -0.46 -2.13 115.11 118.04 1ye2 h GLN 127 Ca -0.08 -0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.39 1ye2 h GLN 127 Cb 1.53 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 29.04 1ye2 h GLN 127 CO 0.16 0.42 0.64 0.00 -1.93 0.00 0.00 178.83 178.12 1ye2 h ALA 128 N 1.06 1.48 -0.30 3.38 0.00 -0.97 0.20 119.26 124.11 1ye2 h ALA 128 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ye2 h ALA 128 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ye2 h ALA 128 CO -0.02 0.30 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1ye2 h ALA 129 N 1.51 0.40 -0.19 0.00 0.00 -1.28 -2.82 119.26 116.88 1ye2 h ALA 129 Ca 0.48 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ye2 h ALA 129 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ye2 h ALA 129 CO -0.23 0.17 -0.11 1.88 0.00 0.00 0.00 179.25 180.96 1ye2 h TYR 130 N 0.32 0.32 -0.55 0.00 0.05 -0.62 -2.02 116.97 114.47 1ye2 h TYR 130 Ca 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1ye2 h TYR 130 Cb 0.47 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1ye2 h TYR 130 CO 0.04 0.41 0.31 1.96 -1.05 0.00 0.00 178.16 179.83 1ye2 h GLN 131 N 0.29 0.76 -0.73 4.88 1.08 -0.51 0.33 115.11 121.21 1ye2 h GLN 131 Ca 0.06 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1ye2 h GLN 131 Cb 0.37 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1ye2 h GLN 131 CO 0.02 0.58 0.42 0.87 -0.95 0.00 0.00 178.83 179.77 1ye2 h LYS 132 N 0.74 1.01 -0.17 1.46 1.57 -1.21 -1.83 116.57 118.14 1ye2 h LYS 132 Ca 0.19 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ye2 h LYS 132 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1ye2 h LYS 132 CO -0.03 0.74 -0.02 0.28 -0.57 0.00 0.00 179.45 179.85 1ye2 h VAL 133 N 1.00 1.27 -0.09 0.50 2.07 -1.01 -0.81 116.25 119.18 1ye2 h VAL 133 Ca 0.26 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1ye2 h VAL 133 Cb 0.01 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ye2 h VAL 133 CO -0.04 0.27 -0.32 -0.37 0.02 0.00 0.00 177.57 177.13 1ye2 h VAL 134 N 0.04 1.26 -0.39 2.57 -1.51 -0.83 -0.77 116.25 116.62 1ye2 h VAL 134 Ca 0.05 -1.25 -0.13 0.00 -1.23 0.00 0.00 66.70 64.14 1ye2 h VAL 134 Cb 0.42 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1ye2 h VAL 134 CO 0.01 0.37 -0.27 0.00 -1.23 0.00 0.00 177.57 176.45 1ye2 h ALA 135 N 1.52 0.78 -0.56 5.19 0.00 -1.24 -1.23 119.26 123.73 1ye2 h ALA 135 Ca 0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1ye2 h ALA 135 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ye2 h ALA 135 CO 0.05 0.65 -0.05 0.78 0.00 0.00 0.00 179.25 180.68 1ye2 h GLY 136 N 0.93 1.08 0.81 0.00 0.00 -0.43 -0.49 103.07 104.96 1ye2 h GLY 136 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 1ye2 h GLY 136 CO 0.07 0.75 -0.10 -2.08 0.00 0.00 0.00 176.54 175.18 1ye2 h VAL 137 N 0.91 1.31 -0.44 4.60 2.07 -1.09 -0.66 116.25 122.93 1ye2 h VAL 137 Ca 0.15 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.57 1ye2 h VAL 137 Cb 0.60 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1ye2 h VAL 137 CO 0.04 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.14 1ye2 h ALA 138 N 0.70 0.53 -0.79 1.67 0.00 -1.07 -0.12 119.26 120.18 1ye2 h ALA 138 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ye2 h ALA 138 Cb 0.59 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1ye2 h ALA 138 CO 0.03 -0.22 0.46 -0.91 0.00 0.00 0.00 179.25 178.60 1ye2 h ASN 139 N 0.34 0.96 -0.59 0.00 -0.26 -0.98 -1.26 115.58 113.79 1ye2 h ASN 139 Ca 0.21 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.79 1ye2 h ASN 139 Cb 0.20 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 1ye2 h ASN 139 CO -0.21 0.75 -0.00 0.00 -1.06 0.00 0.00 177.43 176.91 1ye2 h ALA 140 N 1.41 0.79 0.00 -0.83 0.00 -0.57 -2.23 119.26 117.84 1ye2 h ALA 140 Ca 0.28 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ye2 h ALA 140 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ye2 h ALA 140 CO -0.05 0.63 -0.24 -0.07 0.00 0.00 0.00 179.25 179.52 1ye2 h LEU 141 N 0.93 0.00 0.00 0.00 3.38 -0.58 -2.87 115.31 116.17 1ye2 h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ye2 h LEU 141 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ye2 h LEU 141 CO 0.03 0.24 -0.33 0.00 0.09 0.00 0.00 178.44 178.47 1ye2 n ALA 142 N -2.24 3.09 0.18 1.53 0.00 -0.51 -4.38 120.51 118.17 1ye2 n ALA 142 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.22 1ye2 n ALA 142 Cb 0.42 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 18.94 1ye2 n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ye2 h HIS 143 N 0.00 0.00 -0.36 0.00 2.07 -1.18 -2.36 115.15 113.32 1ye2 h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ye2 h HIS 143 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 1ye2 h HIS 143 CO 0.00 0.43 0.00 1.63 -3.07 0.00 0.00 177.93 176.92 1ye2 n LYS 144 N -3.70 1.96 -2.21 5.12 4.76 -1.26 -4.92 118.16 117.91 1ye2 n LYS 144 Ca -0.01 -1.47 -0.36 0.00 -2.87 0.00 0.00 58.31 53.60 1ye2 n LYS 144 Cb 0.51 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1ye2 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ye2 s TYR 145 N -1.53 2.73 0.00 2.13 2.02 -0.89 -4.77 117.35 117.03 1ye2 s TYR 145 Ca 0.30 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 1ye2 s TYR 145 Cb 0.16 -3.38 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1ye2 s TYR 145 CO 0.22 -1.68 0.00 -2.39 -1.57 0.00 0.00 175.55 170.13