#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye2 n HIS 2 N 0.00 2.04 -4.47 2.03 -0.00 -1.26 -4.83 115.22 108.73 1ye2 n HIS 2 Ca 0.00 -1.04 -0.34 0.00 -0.00 0.00 0.00 57.72 56.34 1ye2 n HIS 2 Cb 0.00 -2.53 -0.12 0.00 -0.00 0.00 0.00 29.99 27.34 1ye2 n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ye2 s LEU 3 N 12.35 3.22 0.66 0.27 1.43 -1.26 -5.10 118.68 130.25 1ye2 s LEU 3 Ca 0.72 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.57 1ye2 s LEU 3 Cb -0.01 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1ye2 s LEU 3 CO 0.16 0.22 1.11 -0.89 0.23 0.00 0.00 176.35 177.18 1ye2 s THR 4 N 0.07 3.21 0.24 5.49 2.01 -1.26 -4.77 115.64 120.63 1ye2 s THR 4 Ca -0.01 0.56 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 1ye2 s THR 4 Cb -0.14 -3.08 0.22 0.00 0.01 0.00 0.00 72.50 69.51 1ye2 s THR 4 CO 0.03 -0.35 1.90 -0.65 -0.69 0.00 0.00 174.62 174.86 1ye2 h PRO 5 N 0.00 1.16 0.00 4.92 0.11 -1.99 0.67 132.00 136.88 1ye2 h PRO 5 Ca -0.47 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1ye2 h PRO 5 Cb 1.25 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1ye2 h PRO 5 CO 0.54 0.77 -0.29 0.93 -0.21 0.00 0.00 178.00 179.74 1ye2 h GLU 6 N 1.20 0.00 -0.04 1.05 3.07 -1.98 -0.24 114.58 117.64 1ye2 h GLU 6 Ca 0.34 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1ye2 h GLU 6 Cb -0.10 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1ye2 h GLU 6 CO -0.09 0.29 -0.35 0.93 -1.40 0.00 0.00 179.01 178.40 1ye2 h GLU 7 N 0.00 0.30 -0.38 2.33 5.08 -1.41 -1.96 114.58 118.54 1ye2 h GLU 7 Ca -0.00 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1ye2 h GLU 7 Cb 0.70 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1ye2 h GLU 7 CO 0.04 0.94 0.22 0.87 -1.00 0.00 0.00 179.01 180.08 1ye2 h LYS 8 N -0.26 0.43 -0.67 2.33 1.57 0.56 -1.56 116.57 118.98 1ye2 h LYS 8 Ca -0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ye2 h LYS 8 Cb 1.04 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1ye2 h LYS 8 CO 0.07 0.28 0.43 1.03 -0.57 0.00 0.00 179.45 180.69 1ye2 h SER 9 N 0.44 0.72 -0.51 0.86 0.87 -1.10 -0.99 113.55 113.85 1ye2 h SER 9 Ca 0.15 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1ye2 h SER 9 Cb 0.01 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1ye2 h SER 9 CO -0.08 0.51 -0.10 0.00 -0.53 0.00 0.00 176.83 176.63 1ye2 h ALA 10 N 1.27 0.81 0.17 6.23 0.00 -0.83 -0.96 119.26 125.94 1ye2 h ALA 10 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ye2 h ALA 10 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ye2 h ALA 10 CO -0.08 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.03 1ye2 h VAL 11 N 0.89 0.85 -0.57 0.00 2.07 -0.85 -2.72 116.25 115.91 1ye2 h VAL 11 Ca 0.14 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1ye2 h VAL 11 Cb 0.66 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1ye2 h VAL 11 CO 0.05 0.02 0.34 0.74 0.02 0.00 0.00 177.57 178.73 1ye2 h THR 12 N -0.27 1.03 -0.49 2.57 2.02 -1.16 -1.55 112.91 115.06 1ye2 h THR 12 Ca -0.02 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1ye2 h THR 12 Cb 0.21 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1ye2 h THR 12 CO 0.04 0.12 0.17 0.00 0.37 0.00 0.00 175.52 176.22 1ye2 h ALA 13 N 1.27 0.64 -0.37 6.16 0.00 -1.12 -2.63 119.26 123.21 1ye2 h ALA 13 Ca 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ye2 h ALA 13 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ye2 h ALA 13 CO -0.12 0.28 -0.02 1.25 0.00 0.00 0.00 179.25 180.64 1ye2 h LEU 14 N 0.66 0.66 -1.97 0.00 7.12 -1.35 -3.16 115.31 117.28 1ye2 h LEU 14 Ca 0.16 -0.32 0.02 0.00 0.13 0.00 0.00 57.88 57.87 1ye2 h LEU 14 Cb 0.25 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1ye2 h LEU 14 CO -0.01 0.83 0.07 -0.25 -0.13 0.00 0.00 178.44 178.95 1ye2 h TRP 15 N 0.48 0.04 0.00 1.25 2.91 -1.06 0.03 115.95 119.61 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 0.50 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 1ye2 h TRP 15 CO 0.04 0.03 0.00 0.41 -1.03 0.00 0.00 178.44 177.89 1ye2 n GLY 16 N -1.55 -0.92 0.51 2.65 0.00 -1.01 -1.74 105.19 103.13 1ye2 n GLY 16 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.73 1.57 -2.63 1.61 5.02 -0.00 -4.99 118.16 117.02 1ye2 n LYS 17 Ca 0.02 -1.08 -0.42 0.00 -2.02 0.00 0.00 58.31 54.80 1ye2 n LYS 17 Cb 0.13 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.94 4.64 -0.69 -0.18 1.01 -0.71 -4.98 120.40 117.54 1ye2 s VAL 18 Ca 0.17 1.90 -0.26 0.00 0.00 0.00 0.00 61.98 63.79 1ye2 s VAL 18 Cb 0.15 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1ye2 s VAL 18 CO 0.40 0.09 1.18 0.21 0.00 0.00 0.00 175.10 176.98 1ye2 s ASN 19 N 1.10 6.20 0.21 3.32 3.84 -1.26 -4.91 114.94 123.44 1ye2 s ASN 19 Ca 0.53 -0.51 -0.10 0.00 0.21 0.00 0.00 52.86 52.99 1ye2 s ASN 19 Cb -0.22 -2.52 0.16 0.00 -0.55 0.00 0.00 41.25 38.12 1ye2 s ASN 19 CO 0.25 -1.68 1.88 0.58 -2.79 0.00 0.00 177.10 175.35 1ye2 h VAL 20 N 6.03 1.19 -0.01 -5.21 2.07 -1.96 -0.92 116.25 117.44 1ye2 h VAL 20 Ca -0.28 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1ye2 h VAL 20 Cb 1.06 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1ye2 h VAL 20 CO 1.24 0.19 -0.41 0.44 0.02 0.00 0.00 177.57 179.05 1ye2 h ASP 21 N 1.04 -1.23 0.31 0.57 5.19 -1.93 0.23 116.42 120.59 1ye2 h ASP 21 Ca 0.28 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.83 1ye2 h ASP 21 Cb -0.11 0.49 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1ye2 h ASP 21 CO -0.06 -0.45 -0.15 -0.33 -3.12 0.00 0.00 179.24 175.13 1ye2 h GLU 22 N -0.55 -0.40 -0.56 3.56 5.08 -1.91 -3.03 114.58 116.76 1ye2 h GLU 22 Ca 0.05 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ye2 h GLU 22 Cb 0.64 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1ye2 h GLU 22 CO -0.32 -0.18 0.33 0.28 -1.00 0.00 0.00 179.01 178.12 1ye2 h VAL 23 N -0.55 1.17 -0.40 3.13 2.07 -1.11 -1.89 116.25 118.68 1ye2 h VAL 23 Ca -0.04 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ye2 h VAL 23 Cb 0.40 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ye2 h VAL 23 CO 0.07 0.18 0.27 1.23 0.02 0.00 0.00 177.57 179.34 1ye2 h GLY 24 N 0.76 0.56 1.25 2.17 0.00 -1.02 -0.27 103.07 106.53 1ye2 h GLY 24 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1ye2 h GLY 24 CO -0.04 0.21 -0.04 -1.33 0.00 0.00 0.00 176.54 175.34 1ye2 h GLY 25 N 0.54 0.97 1.02 4.60 0.00 -1.39 -1.93 103.07 106.88 1ye2 h GLY 25 Ca 0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1ye2 h GLY 25 CO -0.03 0.64 -0.18 -2.09 0.00 0.00 0.00 176.54 174.88 1ye2 h GLU 26 N 0.82 0.84 -0.14 4.80 4.81 -1.14 -0.67 114.58 123.90 1ye2 h GLU 26 Ca 0.15 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1ye2 h GLU 26 Cb 0.54 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ye2 h GLU 26 CO 0.03 1.00 -0.06 0.00 -0.73 0.00 0.00 179.01 179.24 1ye2 h ALA 27 N 0.82 0.20 -0.47 2.92 0.00 -0.98 -0.33 119.26 121.43 1ye2 h ALA 27 Ca 0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1ye2 h ALA 27 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ye2 h ALA 27 CO 0.06 -0.01 -0.17 1.25 0.00 0.00 0.00 179.25 180.38 1ye2 h LEU 28 N -0.03 0.93 -0.55 0.00 5.85 -1.40 -1.17 115.31 118.94 1ye2 h LEU 28 Ca 0.03 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 1ye2 h LEU 28 Cb 0.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ye2 h LEU 28 CO 0.02 1.08 -0.04 1.23 -0.34 0.00 0.00 178.44 180.40 1ye2 h GLY 29 N 0.93 1.08 1.25 3.75 0.00 -1.10 -2.94 103.07 106.05 1ye2 h GLY 29 Ca 0.12 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 1ye2 h GLY 29 CO 0.06 0.76 -0.07 3.21 0.00 0.00 0.00 176.54 180.49 1ye2 h ARG 30 N 0.88 0.89 -0.49 4.80 3.08 -0.78 -2.35 114.38 120.39 1ye2 h ARG 30 Ca 0.15 -0.29 0.08 0.00 0.07 0.00 0.00 59.98 59.99 1ye2 h ARG 30 Cb 0.59 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 1ye2 h ARG 30 CO 0.04 0.92 0.12 1.25 -1.07 0.00 0.00 179.97 181.23 1ye2 h LEU 31 N 0.81 0.04 -1.16 3.04 5.85 -1.08 0.18 115.31 122.99 1ye2 h LEU 31 Ca 0.14 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1ye2 h LEU 31 Cb 0.58 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ye2 h LEU 31 CO 0.04 0.05 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.93 1ye2 h LEU 32 N 0.26 0.00 0.13 2.25 3.38 -1.29 -0.90 115.31 119.13 1ye2 h LEU 32 Ca 0.24 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.85 1ye2 h LEU 32 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ye2 h LEU 32 CO -0.30 0.19 -1.99 0.52 0.09 0.00 0.00 178.44 176.94 1ye2 n VAL 33 N -3.35 1.79 0.10 1.22 0.31 -0.91 -3.66 118.33 113.82 1ye2 n VAL 33 Ca 0.00 -0.66 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 1ye2 n VAL 33 Cb 0.41 -1.73 -0.12 0.00 -0.91 0.00 0.00 33.84 31.48 1ye2 n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ye2 h VAL 34 N 0.07 1.50 -2.90 2.52 2.07 -0.62 -3.37 116.25 115.53 1ye2 h VAL 34 Ca -0.42 -2.99 -0.61 0.00 0.82 0.00 0.00 66.70 63.50 1ye2 h VAL 34 Cb 2.04 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 34.26 1ye2 h VAL 34 CO 0.09 0.87 -0.68 -0.36 0.02 0.00 0.00 177.57 177.51 1ye2 s PHE 35 N -2.75 2.90 -0.28 1.57 0.08 -0.35 -4.98 117.98 114.17 1ye2 s PHE 35 Ca -0.04 -3.06 0.24 0.00 0.12 0.00 0.00 56.93 54.19 1ye2 s PHE 35 Cb 0.07 -2.23 1.15 0.00 -0.57 0.00 0.00 43.02 41.44 1ye2 s PHE 35 CO 0.88 -0.62 1.73 -1.00 -0.10 0.00 0.00 175.22 176.11 1ye2 h PRO 36 N 5.49 0.00 0.00 0.24 0.13 -1.73 -1.79 132.00 134.34 1ye2 h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ye2 h PRO 36 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ye2 h PRO 36 CO 0.62 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.50 1ye2 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.06 115.95 113.64 1ye2 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1ye2 h TRP 37 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.44 1ye2 h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1ye2 n THR 38 N -2.89 0.83 0.26 0.12 -2.24 -0.67 -2.35 114.28 107.33 1ye2 n THR 38 Ca 0.01 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 1ye2 n THR 38 Cb 0.27 -1.02 0.53 0.00 -2.10 0.00 0.00 70.33 68.01 1ye2 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ye2 n GLN 39 N -1.91 0.16 0.29 -0.78 6.02 -0.77 -2.87 117.38 117.52 1ye2 n GLN 39 Ca 0.03 0.54 0.14 0.00 -0.01 0.00 0.00 57.00 57.70 1ye2 n GLN 39 Cb 0.23 -1.91 0.87 0.00 1.02 0.00 0.00 30.24 30.45 1ye2 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1ye2 h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.69 -1.36 114.38 110.35 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 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1ye2 h ARG 40 CO 0.00 0.00 -0.38 1.19 0.10 0.00 0.00 179.97 180.88 1ye2 n PHE 41 N -3.96 0.00 -1.57 4.08 3.01 -1.14 -4.27 117.46 113.62 1ye2 n PHE 41 Ca -0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.49 1ye2 n PHE 41 Cb 0.08 -0.19 0.21 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.12 0.02 -0.23 1.38 3.01 -0.51 -4.80 117.46 115.21 1ye2 n PHE 42 Ca 0.09 -1.48 0.01 0.00 1.01 0.00 0.00 57.45 57.09 1ye2 n PHE 42 Cb 0.34 -0.25 0.13 0.00 -0.01 0.00 0.00 39.48 39.69 1ye2 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ye2 h GLU 43 N 0.95 0.48 0.00 -1.08 4.39 -1.74 -0.85 114.58 116.72 1ye2 h GLU 43 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ye2 h GLU 43 Cb 1.01 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1ye2 h GLU 43 CO 0.01 0.32 0.00 -1.13 -1.16 0.00 0.00 179.01 177.05 1ye2 n SER 44 N -4.94 0.00 0.06 1.42 3.41 -1.26 -2.79 113.62 109.52 1ye2 n SER 44 Ca 0.11 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1ye2 n SER 44 Cb 0.30 -0.30 0.49 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.30 0.52 0.00 7.33 0.99 -0.33 -5.04 117.46 119.64 1ye2 n PHE 45 Ca 0.02 0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1ye2 n PHE 45 Cb 0.03 -0.74 0.00 0.00 -1.00 0.00 0.00 39.48 37.77 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 1.39 0.26 3.70 1.37 0.00 -1.12 -4.75 105.19 106.04 1ye2 n GLY 46 Ca 0.06 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 6.83 -0.03 1.61 3.68 -1.26 -4.84 116.67 118.66 1ye2 s ASP 47 Ca 0.00 2.19 0.15 0.00 2.13 0.00 0.00 52.55 57.02 1ye2 s ASP 47 Cb 0.00 -2.57 0.27 0.00 -1.45 0.00 0.00 42.92 39.17 1ye2 s ASP 47 CO 0.00 -0.71 1.11 0.18 0.13 0.00 0.00 175.17 175.88 1ye2 n LEU 48 N 5.01 0.86 0.20 -1.34 4.77 -1.26 -4.37 117.00 120.86 1ye2 n LEU 48 Ca 0.13 -1.86 0.07 0.00 -0.03 0.00 0.00 56.01 54.31 1ye2 n LEU 48 Cb 0.43 -0.07 0.37 0.00 -2.33 0.00 0.00 43.42 41.82 1ye2 n LEU 48 CO 0.59 0.50 0.71 0.28 -1.33 0.00 0.00 177.39 178.14 1ye2 h SER 49 N 0.58 0.00 -4.64 -1.43 0.02 -1.93 -3.44 113.55 102.71 1ye2 h SER 49 Ca -0.11 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 1ye2 h SER 49 Cb 1.59 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.98 1ye2 h SER 49 CO 0.05 0.33 -0.68 0.42 -1.14 0.00 0.00 176.83 175.81 1ye2 s THR 50 N -3.63 0.63 0.18 -2.27 -4.23 -1.26 -5.02 115.64 100.04 1ye2 s THR 50 Ca 0.00 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 1ye2 s THR 50 Cb 0.11 -1.91 0.10 0.00 1.34 0.00 0.00 72.50 72.14 1ye2 s THR 50 CO 0.67 -0.66 1.70 -0.65 -0.54 0.00 0.00 174.62 175.14 1ye2 h PRO 51 N 2.84 0.15 -0.77 3.99 0.11 -1.98 0.24 132.00 136.58 1ye2 h PRO 51 Ca -0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 1ye2 h PRO 51 Cb 1.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1ye2 h PRO 51 CO 0.63 0.10 0.35 -0.44 -0.21 0.00 0.00 178.00 178.43 1ye2 h ASP 52 N 0.16 1.02 -0.11 -2.05 3.32 -1.97 0.44 116.42 117.23 1ye2 h ASP 52 Ca 0.23 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ye2 h ASP 52 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1ye2 h ASP 52 CO -0.35 0.88 0.06 0.00 -1.72 0.00 0.00 179.24 178.11 1ye2 h ALA 53 N 1.27 0.14 0.59 3.45 0.00 -1.66 0.44 119.26 123.50 1ye2 h ALA 53 Ca 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ye2 h ALA 53 Cb 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ye2 h ALA 53 CO -0.03 -0.34 -0.29 0.28 0.00 0.00 0.00 179.25 178.88 1ye2 h VAL 54 N 0.10 0.39 -0.57 0.00 2.07 0.34 -0.33 116.25 118.25 1ye2 h VAL 54 Ca 0.04 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1ye2 h VAL 54 Cb 0.05 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1ye2 h VAL 54 CO -0.01 0.02 0.38 0.24 0.02 0.00 0.00 177.57 178.22 1ye2 h MET 55 N -0.89 0.62 0.00 1.57 2.07 -0.13 -1.50 114.93 116.66 1ye2 h MET 55 Ca -0.08 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1ye2 h MET 55 Cb 0.64 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1ye2 h MET 55 CO 0.13 0.41 -0.03 0.78 1.07 0.00 0.00 176.91 179.27 1ye2 h GLY 56 N 0.63 0.00 -5.78 8.32 0.00 -0.76 -3.47 103.07 102.02 1ye2 h GLY 56 Ca 0.23 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.97 1ye2 h GLY 56 CO -0.06 0.00 1.18 -2.01 0.00 0.00 0.00 176.54 175.64 1ye2 n ASN 57 N -3.00 3.58 0.20 0.19 2.85 -0.15 -4.88 115.26 114.05 1ye2 n ASN 57 Ca 0.04 0.88 0.07 0.00 -0.11 0.00 0.00 54.58 55.46 1ye2 n ASN 57 Cb 0.52 -1.42 0.42 0.00 1.24 0.00 0.00 39.78 40.54 1ye2 n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ye2 h PRO 58 N 10.09 0.00 -0.17 1.20 0.13 -1.90 -1.70 132.00 139.66 1ye2 h PRO 58 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1ye2 h PRO 58 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ye2 h PRO 58 CO 0.95 0.32 -0.56 0.87 -0.23 0.00 0.00 178.00 179.35 1ye2 h LYS 59 N 0.00 0.52 -0.20 0.86 1.57 -1.90 -1.10 116.57 116.32 1ye2 h LYS 59 Ca -0.00 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1ye2 h LYS 59 Cb 0.75 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1ye2 h LYS 59 CO 0.04 0.94 0.09 0.28 -0.57 0.00 0.00 179.45 180.24 1ye2 h VAL 60 N 0.40 1.13 -0.08 0.50 2.07 -1.74 -0.48 116.25 118.06 1ye2 h VAL 60 Ca 0.00 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ye2 h VAL 60 Cb 1.10 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1ye2 h VAL 60 CO 0.10 0.13 -0.01 0.11 0.02 0.00 0.00 177.57 177.92 1ye2 h LYS 61 N 0.19 0.01 -0.50 1.57 6.56 -1.27 0.47 116.57 123.60 1ye2 h LYS 61 Ca 0.07 -0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.57 1ye2 h LYS 61 Cb 0.12 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.76 1ye2 h LYS 61 CO -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 179.45 177.35 1ye2 h ALA 62 N 1.07 1.00 -0.06 3.86 0.00 -1.11 -2.30 119.26 121.73 1ye2 h ALA 62 Ca 0.04 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1ye2 h ALA 62 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ye2 h ALA 62 CO -0.07 0.61 -0.56 1.25 0.00 0.00 0.00 179.25 180.47 1ye2 h HIS 63 N 0.80 0.23 -0.62 0.00 -0.00 -0.82 -2.81 115.15 111.93 1ye2 h HIS 63 Ca 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1ye2 h HIS 63 Cb 0.52 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 1ye2 h HIS 63 CO 0.03 0.71 0.40 0.78 -0.00 0.00 0.00 177.93 179.85 1ye2 h GLY 64 N 1.49 0.88 0.98 5.26 0.00 -0.56 -0.52 103.07 110.60 1ye2 h GLY 64 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1ye2 h GLY 64 CO 0.08 0.33 0.25 1.70 0.00 0.00 0.00 176.54 178.90 1ye2 h LYS 65 N 0.84 0.62 0.09 4.80 3.64 -1.32 -0.56 116.57 124.68 1ye2 h LYS 65 Ca 0.23 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ye2 h LYS 65 Cb -0.08 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1ye2 h LYS 65 CO -0.05 0.49 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.35 1ye2 h LYS 66 N 0.59 -0.13 -0.34 1.90 3.64 -1.20 0.15 116.57 121.17 1ye2 h LYS 66 Ca 0.16 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1ye2 h LYS 66 Cb 0.05 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1ye2 h LYS 66 CO -0.03 -0.09 -0.04 0.28 -2.27 0.00 0.00 179.45 177.30 1ye2 h VAL 67 N -0.14 0.70 0.00 2.00 2.07 -0.81 -1.13 116.25 118.94 1ye2 h VAL 67 Ca -0.01 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ye2 h VAL 67 Cb 0.12 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1ye2 h VAL 67 CO 0.01 0.01 -0.22 -0.07 0.02 0.00 0.00 177.57 177.31 1ye2 h LEU 68 N 0.04 0.00 -0.55 2.57 -0.00 -0.74 -0.30 115.31 116.34 1ye2 h LEU 68 Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.99 1ye2 h LEU 68 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1ye2 h LEU 68 CO -0.32 0.22 0.15 1.23 -0.00 0.00 0.00 178.44 179.72 1ye2 h GLY 69 N 1.07 0.94 1.00 0.83 0.00 0.35 0.14 103.07 107.39 1ye2 h GLY 69 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1ye2 h GLY 69 CO 0.03 0.54 0.28 0.00 0.00 0.00 0.00 176.54 177.38 1ye2 h ALA 70 N 1.02 0.83 -0.68 3.60 0.00 -0.16 -2.42 119.26 121.46 1ye2 h ALA 70 Ca 0.17 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ye2 h ALA 70 Cb 0.32 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1ye2 h ALA 70 CO -0.00 0.43 0.41 0.35 0.00 0.00 0.00 179.25 180.44 1ye2 h PHE 71 N 0.90 0.76 -0.80 0.00 3.57 -0.73 -2.13 116.94 118.51 1ye2 h PHE 71 Ca 0.22 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.85 1ye2 h PHE 71 Cb 0.17 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 1ye2 h PHE 71 CO 0.01 0.41 0.42 0.77 -2.23 0.00 0.00 178.31 177.69 1ye2 h SER 72 N 0.79 0.55 -0.94 0.41 0.02 -0.51 -1.62 113.55 112.26 1ye2 h SER 72 Ca 0.29 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.35 1ye2 h SER 72 Cb 0.08 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1ye2 h SER 72 CO -0.13 0.29 0.61 0.44 -1.14 0.00 0.00 176.83 176.89 1ye2 h ASP 73 N 0.67 0.99 -0.99 3.07 5.19 -0.98 -2.07 116.42 122.29 1ye2 h ASP 73 Ca 0.41 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.86 1ye2 h ASP 73 Cb 0.47 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 1ye2 h ASP 73 CO -0.30 0.66 0.65 1.23 -3.12 0.00 0.00 179.24 178.36 1ye2 h GLY 74 N 1.14 1.47 2.00 2.75 0.00 -1.02 -2.36 103.07 107.05 1ye2 h GLY 74 Ca 0.39 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1ye2 h GLY 74 CO -0.14 0.40 -0.17 1.41 0.00 0.00 0.00 176.54 178.04 1ye2 h LEU 75 N 1.23 0.00 -0.20 3.11 3.38 -1.09 0.50 115.31 122.24 1ye2 h LEU 75 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ye2 h LEU 75 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ye2 h LEU 75 CO -0.14 0.17 -0.20 0.00 0.09 0.00 0.00 178.44 178.36 1ye2 n ALA 76 N -2.27 2.91 -2.34 1.53 0.00 -0.93 -4.08 120.51 115.33 1ye2 n ALA 76 Ca -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 1ye2 n ALA 76 Cb 0.31 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.08 1.45 0.33 0.00 8.25 0.11 -4.93 115.22 119.35 1ye2 n HIS 77 Ca 0.11 -1.86 0.22 0.00 -0.26 0.00 0.00 57.72 55.93 1ye2 n HIS 77 Cb 0.31 -0.26 1.14 0.00 1.12 0.00 0.00 29.99 32.30 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 2.02 0.00 -0.94 2.41 4.07 -1.56 0.31 115.31 121.62 1ye2 h LEU 78 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1ye2 h LEU 78 Cb 1.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1ye2 h LEU 78 CO 0.35 0.00 -0.03 0.47 -1.08 0.00 0.00 178.44 178.15 1ye2 n ASP 79 N -3.04 1.48 -2.94 -0.43 10.43 -1.26 -3.68 116.55 117.12 1ye2 n ASP 79 Ca -0.03 -1.45 -0.13 0.00 2.57 0.00 0.00 54.79 55.75 1ye2 n ASP 79 Cb 0.09 0.01 0.03 0.00 1.84 0.00 0.00 41.12 43.10 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 0.11 -0.94 -0.18 -2.24 5.15 0.11 -4.68 115.26 112.60 1ye2 n ASN 80 Ca 0.18 -3.35 -0.04 0.00 -0.60 0.00 0.00 54.58 50.78 1ye2 n ASN 80 Cb 0.36 0.74 0.15 0.00 -0.53 0.00 0.00 39.78 40.50 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 3.10 0.89 0.03 1.20 3.38 -1.73 -2.05 115.31 120.14 1ye2 h LEU 81 Ca -0.01 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ye2 h LEU 81 Cb 1.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ye2 h LEU 81 CO 0.31 0.84 -0.08 0.11 0.09 0.00 0.00 178.44 179.71 1ye2 h LYS 82 N 0.92 -0.15 -0.12 1.13 6.56 -1.90 -0.95 116.57 122.05 1ye2 h LYS 82 Ca 0.21 0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.70 1ye2 h LYS 82 Cb 0.27 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 1ye2 h LYS 82 CO -0.01 -0.10 -0.40 0.78 -2.06 0.00 0.00 179.45 177.66 1ye2 h GLY 83 N -0.16 0.30 1.58 3.86 0.00 -1.95 -1.88 103.07 104.82 1ye2 h GLY 83 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1ye2 h GLY 83 CO -0.06 0.25 0.19 -0.84 0.00 0.00 0.00 176.54 176.08 1ye2 h THR 84 N 0.23 1.14 -0.11 4.70 2.02 -0.68 -3.12 112.91 117.08 1ye2 h THR 84 Ca 0.02 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1ye2 h THR 84 Cb 0.81 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ye2 h THR 84 CO 0.06 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.61 1ye2 n PHE 85 N -4.41 0.22 -0.12 3.16 3.01 -0.43 -4.77 117.46 114.13 1ye2 n PHE 85 Ca 0.03 -0.64 -0.05 0.00 1.01 0.00 0.00 57.45 57.80 1ye2 n PHE 85 Cb 0.12 -0.09 0.03 0.00 -0.01 0.00 0.00 39.48 39.53 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 0.70 0.42 -0.27 4.37 0.00 -1.28 0.12 119.26 123.32 1ye2 h ALA 86 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ye2 h ALA 86 Cb 0.76 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ye2 h ALA 86 CO 0.02 -0.33 -0.01 1.15 0.00 0.00 0.00 179.25 180.09 1ye2 h THR 87 N 0.20 1.26 -0.35 0.00 2.02 -1.86 -1.75 112.91 112.44 1ye2 h THR 87 Ca 0.19 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1ye2 h THR 87 Cb 0.22 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1ye2 h THR 87 CO -0.25 0.30 0.16 0.25 0.37 0.00 0.00 175.52 176.35 1ye2 h LEU 88 N 0.25 0.43 -0.00 2.58 5.85 -1.84 -0.66 115.31 121.91 1ye2 h LEU 88 Ca 0.07 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ye2 h LEU 88 Cb 0.43 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1ye2 h LEU 88 CO 0.02 0.37 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.21 1ye2 h SER 89 N 0.49 0.01 -0.60 1.25 0.87 -0.41 -0.88 113.55 114.27 1ye2 h SER 89 Ca 0.12 -0.40 0.09 0.00 -1.23 0.00 0.00 61.79 60.38 1ye2 h SER 89 Cb 0.06 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 1ye2 h SER 89 CO -0.02 0.40 0.21 -0.33 -0.53 0.00 0.00 176.83 176.57 1ye2 h GLU 90 N -0.39 0.37 -0.31 2.24 5.08 -1.03 -1.28 114.58 119.26 1ye2 h GLU 90 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ye2 h GLU 90 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ye2 h GLU 90 CO 0.00 0.25 0.17 1.25 -1.00 0.00 0.00 179.01 179.67 1ye2 h LEU 91 N 0.38 0.39 -1.78 1.33 5.85 -1.01 0.35 115.31 120.83 1ye2 h LEU 91 Ca 0.30 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ye2 h LEU 91 Cb 0.38 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ye2 h LEU 91 CO -0.31 0.37 -0.12 0.45 -0.34 0.00 0.00 178.44 178.49 1ye2 h HIS 92 N 0.38 0.00 0.00 1.25 3.86 -0.72 -1.21 115.15 118.71 1ye2 h HIS 92 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ye2 h HIS 92 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1ye2 h HIS 92 CO -0.03 0.12 -0.12 0.00 0.86 0.00 0.00 177.93 178.76 1ye2 h ASP 94 N -0.71 0.68 0.07 0.00 3.32 -0.38 -2.83 116.42 116.56 1ye2 h ASP 94 Ca 0.00 -0.54 -0.37 0.00 0.02 0.00 0.00 57.03 56.13 1ye2 h ASP 94 Cb 0.12 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1ye2 h ASP 94 CO 0.00 1.34 -2.19 0.29 -1.72 0.00 0.00 179.24 176.96 1ye2 n LYS 95 N -3.79 0.70 0.00 3.56 4.01 -0.92 -4.65 118.16 117.07 1ye2 n LYS 95 Ca -0.08 0.22 0.11 0.00 -0.51 0.00 0.00 58.31 58.05 1ye2 n LYS 95 Cb 0.85 -1.62 -0.11 0.00 -0.51 0.00 0.00 35.03 33.63 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 -3.44 0.42 -3.72 -0.35 4.77 -0.50 -5.00 117.00 109.17 1ye2 n LEU 96 Ca -0.39 -0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.25 1ye2 n LEU 96 Cb 1.01 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 42.11 1ye2 n LEU 96 CO 0.34 0.06 -0.05 1.41 -1.33 0.00 0.00 177.39 177.82 1ye2 n HIS 97 N -2.03 -1.95 -3.44 -1.77 8.25 -0.55 -4.96 115.22 108.77 1ye2 n HIS 97 Ca -0.01 0.85 -0.39 0.00 -0.26 0.00 0.00 57.72 57.91 1ye2 n HIS 97 Cb 0.48 -4.36 -0.09 0.00 1.12 0.00 0.00 29.99 27.14 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 -3.64 5.21 -0.04 1.59 1.01 -0.40 -5.03 120.40 119.10 1ye2 s VAL 98 Ca 0.06 0.48 -0.33 0.00 0.00 0.00 0.00 61.98 62.19 1ye2 s VAL 98 Cb -0.03 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1ye2 s VAL 98 CO 0.81 0.19 1.88 -0.67 0.00 0.00 0.00 175.10 177.31 1ye2 n ASP 99 N 5.22 3.59 0.19 3.32 4.64 -1.26 -4.76 116.55 127.49 1ye2 n ASP 99 Ca -0.10 0.97 0.13 0.00 -1.38 0.00 0.00 54.79 54.41 1ye2 n ASP 99 Cb 0.51 -1.41 0.69 0.00 -1.04 0.00 0.00 41.12 39.87 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 9.22 0.00 -0.09 -0.67 0.11 -1.97 0.16 132.00 138.77 1ye2 h PRO 100 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1ye2 h PRO 100 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ye2 h PRO 100 CO 0.94 0.00 0.07 1.49 -0.21 0.00 0.00 178.00 180.29 1ye2 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 -0.18 114.58 118.03 1ye2 h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1ye2 h GLU 101 Cb 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1ye2 h GLU 101 CO 0.00 0.00 -0.10 -0.91 -1.18 0.00 0.00 179.01 176.82 1ye2 h ASN 102 N 0.00 0.00 -0.46 1.04 4.21 -1.32 -2.20 115.58 116.85 1ye2 h ASN 102 Ca 0.04 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.47 1ye2 h ASN 102 Cb 0.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1ye2 h ASN 102 CO -0.00 0.10 0.00 -0.26 -1.29 0.00 0.00 177.43 175.98 1ye2 h PHE 103 N 0.00 0.93 -0.32 1.19 0.04 -1.20 -1.36 116.94 116.21 1ye2 h PHE 103 Ca -0.00 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.47 1ye2 h PHE 103 Cb 0.19 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1ye2 h PHE 103 CO 0.00 0.85 -0.44 0.00 -0.60 0.00 0.00 178.31 178.12 1ye2 h ARG 104 N 0.81 0.83 -0.16 1.51 3.08 -1.44 -1.63 114.38 117.38 1ye2 h ARG 104 Ca 0.15 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1ye2 h ARG 104 Cb 0.48 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1ye2 h ARG 104 CO 0.02 1.10 0.07 -0.07 -1.07 0.00 0.00 179.97 180.02 1ye2 h LEU 105 N 0.67 0.21 -0.70 3.04 3.38 -1.21 -2.43 115.31 118.27 1ye2 h LEU 105 Ca 0.04 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ye2 h LEU 105 Cb 1.02 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1ye2 h LEU 105 CO 0.10 0.30 0.41 0.25 0.09 0.00 0.00 178.44 179.59 1ye2 h LEU 106 N 0.11 0.64 -0.54 1.67 5.85 -1.15 -1.70 115.31 120.18 1ye2 h LEU 106 Ca 0.05 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1ye2 h LEU 106 Cb 0.16 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1ye2 h LEU 106 CO -0.01 0.42 0.11 1.23 -0.34 0.00 0.00 178.44 179.86 1ye2 h GLY 107 N 0.77 0.67 1.58 3.75 0.00 -1.14 0.61 103.07 109.30 1ye2 h GLY 107 Ca 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 1ye2 h GLY 107 CO -0.16 -0.08 -0.56 3.43 0.00 0.00 0.00 176.54 179.17 1ye2 h ASN 108 N 0.25 0.50 -0.57 0.19 2.35 -1.07 -2.12 115.58 115.11 1ye2 h ASN 108 Ca 0.28 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1ye2 h ASN 108 Cb 0.38 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1ye2 h ASN 108 CO -0.35 0.95 0.20 0.58 -1.65 0.00 0.00 177.43 177.15 1ye2 h VAL 109 N 0.34 1.23 -0.68 2.81 2.07 -0.86 -1.97 116.25 119.19 1ye2 h VAL 109 Ca 0.00 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1ye2 h VAL 109 Cb 1.08 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1ye2 h VAL 109 CO 0.10 0.29 0.35 0.25 0.02 0.00 0.00 177.57 178.58 1ye2 h LEU 110 N 0.80 0.49 -0.77 2.57 5.85 -0.63 -0.67 115.31 122.94 1ye2 h LEU 110 Ca 0.19 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1ye2 h LEU 110 Cb 0.26 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1ye2 h LEU 110 CO -0.01 0.30 0.42 0.58 -0.34 0.00 0.00 178.44 179.38 1ye2 h VAL 111 N 0.63 1.23 -0.70 1.05 2.07 -1.10 -0.48 116.25 118.95 1ye2 h VAL 111 Ca 0.32 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1ye2 h VAL 111 Cb 0.29 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1ye2 h VAL 111 CO -0.23 0.26 0.20 0.00 0.02 0.00 0.00 177.57 177.82 1ye2 h VAL 113 N 1.05 1.30 -0.88 0.00 2.07 -0.72 -0.89 116.25 118.17 1ye2 h VAL 113 Ca 0.23 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1ye2 h VAL 113 Cb 0.33 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1ye2 h VAL 113 CO -0.00 0.42 0.58 -0.07 0.02 0.00 0.00 177.57 178.52 1ye2 h LEU 114 N 0.40 0.94 -0.31 2.57 3.38 -0.93 -0.18 115.31 121.18 1ye2 h LEU 114 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ye2 h LEU 114 Cb 0.74 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ye2 h LEU 114 CO 0.05 0.64 0.03 0.00 0.09 0.00 0.00 178.44 179.25 1ye2 h ALA 115 N 1.49 0.42 -0.68 1.53 0.00 -1.02 -0.08 119.26 120.91 1ye2 h ALA 115 Ca 0.35 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ye2 h ALA 115 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ye2 h ALA 115 CO -0.11 0.14 0.44 1.25 0.00 0.00 0.00 179.25 180.97 1ye2 h HIS 116 N 0.34 0.84 -0.12 0.00 -0.00 -0.52 -0.41 115.15 115.28 1ye2 h HIS 116 Ca 0.09 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.38 1ye2 h HIS 116 Cb 0.39 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1ye2 h HIS 116 CO 0.03 0.51 -0.34 0.45 -0.00 0.00 0.00 177.93 178.59 1ye2 h HIS 117 N 0.90 0.57 -0.01 5.26 -0.00 -0.99 -3.35 115.15 117.53 1ye2 h HIS 117 Ca 0.26 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1ye2 h HIS 117 Cb -0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1ye2 h HIS 117 CO -0.03 0.95 -0.50 1.19 -0.00 0.00 0.00 177.93 179.54 1ye2 n PHE 118 N -4.37 0.00 -0.06 2.45 3.01 -0.05 -5.02 117.46 113.41 1ye2 n PHE 118 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1ye2 n PHE 118 Cb 0.50 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.43 2.94 0.20 1.37 0.00 -0.17 -1.38 105.19 109.58 1ye2 n GLY 119 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1ye2 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ye2 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.15 116.57 118.47 1ye2 h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ye2 h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ye2 h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1ye2 h GLU 121 N 0.00 0.00 -3.11 0.07 4.81 -1.62 -3.31 114.58 111.42 1ye2 h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1ye2 h GLU 121 Cb 0.15 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.39 1ye2 h GLU 121 CO 0.00 0.00 2.18 0.34 -0.73 0.00 0.00 179.01 180.80 1ye2 n PHE 122 N -2.95 2.76 -0.89 0.92 7.35 0.51 -4.94 117.46 120.22 1ye2 n PHE 122 Ca 0.03 -2.80 -0.31 0.00 -0.76 0.00 0.00 57.45 53.62 1ye2 n PHE 122 Cb 0.42 -1.89 0.15 0.00 0.35 0.00 0.00 39.48 38.52 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 -0.32 2.48 0.22 -2.13 -4.23 -1.25 -4.69 115.64 105.72 1ye2 s THR 123 Ca 0.46 0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1ye2 s THR 123 Cb 0.13 -2.36 0.17 0.00 1.34 0.00 0.00 72.50 71.78 1ye2 s THR 123 CO -0.03 -0.20 1.76 -0.65 -0.54 0.00 0.00 174.62 174.95 1ye2 h PRO 124 N -1.70 0.48 -0.76 3.99 0.11 -1.94 0.45 132.00 132.63 1ye2 h PRO 124 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1ye2 h PRO 124 Cb 1.27 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1ye2 h PRO 124 CO 0.46 0.32 0.48 -1.35 -0.21 0.00 0.00 178.00 177.70 1ye2 h PRO 125 N 0.50 0.92 -0.62 1.05 0.11 -1.99 -0.77 132.00 131.19 1ye2 h PRO 125 Ca 0.34 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 1ye2 h PRO 125 Cb 0.40 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 1ye2 h PRO 125 CO -0.30 0.61 0.23 0.28 -0.21 0.00 0.00 178.00 178.60 1ye2 h VAL 126 N 0.94 1.24 -0.25 3.15 2.07 -1.68 -2.37 116.25 119.34 1ye2 h VAL 126 Ca 0.30 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1ye2 h VAL 126 Cb 0.01 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1ye2 h VAL 126 CO -0.11 0.30 0.15 -0.61 0.02 0.00 0.00 177.57 177.33 1ye2 h GLN 127 N 0.88 0.31 -0.72 1.57 4.15 -0.50 -1.52 115.11 119.27 1ye2 h GLN 127 Ca 0.21 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.72 1ye2 h GLN 127 Cb 0.24 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 1ye2 h GLN 127 CO -0.01 0.20 0.32 0.00 -1.93 0.00 0.00 178.83 177.41 1ye2 h ALA 128 N 1.11 1.01 -0.53 3.38 0.00 -0.84 0.26 119.26 123.64 1ye2 h ALA 128 Ca 0.10 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1ye2 h ALA 128 Cb -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ye2 h ALA 128 CO -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.04 1ye2 h ALA 129 N 1.48 0.92 -0.21 0.00 0.00 -1.11 -2.66 119.26 117.68 1ye2 h ALA 129 Ca 0.38 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ye2 h ALA 129 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ye2 h ALA 129 CO -0.33 0.64 -0.32 1.88 0.00 0.00 0.00 179.25 181.12 1ye2 h TYR 130 N 0.86 0.48 -0.75 0.00 0.05 -0.15 -2.23 116.97 115.22 1ye2 h TYR 130 Ca 0.15 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1ye2 h TYR 130 Cb 0.56 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 1ye2 h TYR 130 CO 0.03 0.69 0.36 1.96 -1.05 0.00 0.00 178.16 180.16 1ye2 h GLN 131 N 0.36 1.07 -0.62 4.88 1.08 -0.30 0.56 115.11 122.14 1ye2 h GLN 131 Ca 0.05 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1ye2 h GLN 131 Cb 0.74 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1ye2 h GLN 131 CO 0.06 0.82 0.07 0.87 -0.95 0.00 0.00 178.83 179.70 1ye2 h LYS 132 N 1.06 1.05 0.14 1.46 1.57 -1.22 -1.91 116.57 118.73 1ye2 h LYS 132 Ca 0.26 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ye2 h LYS 132 Cb 0.10 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ye2 h LYS 132 CO -0.03 1.00 -0.07 0.28 -0.57 0.00 0.00 179.45 180.05 1ye2 h VAL 133 N 0.96 0.98 -0.69 0.50 2.07 -0.78 -0.80 116.25 118.50 1ye2 h VAL 133 Ca 0.19 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1ye2 h VAL 133 Cb 0.47 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1ye2 h VAL 133 CO 0.02 0.13 0.45 -0.37 0.02 0.00 0.00 177.57 177.82 1ye2 h VAL 134 N -0.45 1.10 -0.47 2.57 -1.51 -0.89 0.16 116.25 116.76 1ye2 h VAL 134 Ca -0.02 -0.28 -0.12 0.00 -1.23 0.00 0.00 66.70 65.04 1ye2 h VAL 134 Cb 0.35 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 1ye2 h VAL 134 CO 0.03 0.15 -0.19 0.00 -1.23 0.00 0.00 177.57 176.34 1ye2 h ALA 135 N 1.60 0.78 -0.53 5.19 0.00 -1.19 -1.18 119.26 123.92 1ye2 h ALA 135 Ca 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ye2 h ALA 135 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ye2 h ALA 135 CO -0.08 0.66 0.28 0.78 0.00 0.00 0.00 179.25 180.89 1ye2 h GLY 136 N 0.92 0.80 1.06 0.00 0.00 -0.11 -1.22 103.07 104.52 1ye2 h GLY 136 Ca 0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1ye2 h GLY 136 CO 0.06 0.36 -0.07 -2.08 0.00 0.00 0.00 176.54 174.81 1ye2 h VAL 137 N 0.71 1.27 -0.34 4.60 2.07 -0.86 -0.81 116.25 122.88 1ye2 h VAL 137 Ca 0.18 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1ye2 h VAL 137 Cb 0.08 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ye2 h VAL 137 CO -0.03 0.42 0.08 0.00 0.02 0.00 0.00 177.57 178.06 1ye2 h ALA 138 N 0.92 0.45 -0.69 1.67 0.00 -0.97 0.02 119.26 120.67 1ye2 h ALA 138 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ye2 h ALA 138 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ye2 h ALA 138 CO 0.04 0.13 0.32 -0.91 0.00 0.00 0.00 179.25 178.82 1ye2 h ASN 139 N 0.40 0.90 -0.27 0.00 2.35 -1.16 -1.17 115.58 116.64 1ye2 h ASN 139 Ca 0.11 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1ye2 h ASN 139 Cb 0.31 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1ye2 h ASN 139 CO 0.00 0.77 -0.25 0.00 -1.65 0.00 0.00 177.43 176.31 1ye2 h ALA 140 N 1.37 0.87 0.00 -0.83 0.00 -0.76 -1.76 119.26 118.14 1ye2 h ALA 140 Ca 0.24 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1ye2 h ALA 140 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ye2 h ALA 140 CO -0.03 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.57 1ye2 h LEU 141 N 0.65 0.00 -0.15 0.00 3.38 -0.49 -2.70 115.31 116.00 1ye2 h LEU 141 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ye2 h LEU 141 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ye2 h LEU 141 CO 0.06 0.21 -0.44 0.00 0.09 0.00 0.00 178.44 178.37 1ye2 n ALA 142 N -2.21 3.43 -0.05 1.53 0.00 -0.49 -4.44 120.51 118.28 1ye2 n ALA 142 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ye2 n ALA 142 Cb 0.44 -1.12 0.30 0.00 0.00 0.00 0.00 19.45 19.08 1ye2 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ye2 h HIS 143 N 0.36 0.65 -0.45 0.00 6.17 -0.98 -2.21 115.15 118.70 1ye2 h HIS 143 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1ye2 h HIS 143 Cb 0.50 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.23 1ye2 h HIS 143 CO 0.00 0.52 0.00 1.63 0.71 0.00 0.00 177.93 180.79 1ye2 n LYS 144 N -4.35 3.29 -2.36 5.26 4.76 -1.26 -4.91 118.16 118.58 1ye2 n LYS 144 Ca 0.03 -2.14 -0.36 0.00 -2.87 0.00 0.00 58.31 52.97 1ye2 n LYS 144 Cb 0.16 -1.84 -0.02 0.00 -1.84 0.00 0.00 35.03 31.49 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 -1.94 2.97 0.00 2.13 2.02 -0.83 -4.74 117.35 116.95 1ye2 s TYR 145 Ca 0.38 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.65 1ye2 s TYR 145 Cb 0.26 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 1ye2 s TYR 145 CO 0.16 -1.21 0.00 -2.39 -1.57 0.00 0.00 175.55 170.54