#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yff n HIS 2 N 0.00 -2.29 -3.00 3.52 -0.00 -1.26 -4.99 115.22 107.19 1yff n HIS 2 Ca 0.00 0.81 -0.40 0.00 -0.00 0.00 0.00 57.72 58.13 1yff n HIS 2 Cb 0.00 -3.95 -0.05 0.00 -0.00 0.00 0.00 29.99 26.00 1yff n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yff s LEU 3 N -4.94 4.37 0.30 2.41 1.02 -1.26 -5.06 118.68 115.52 1yff s LEU 3 Ca 0.35 1.31 -0.29 0.00 0.02 0.00 0.00 54.13 55.52 1yff s LEU 3 Cb -0.05 -3.17 -0.10 0.00 0.02 0.00 0.00 46.19 42.90 1yff s LEU 3 CO 0.67 -0.07 1.17 -0.89 0.02 0.00 0.00 176.35 177.24 1yff s THR 4 N 0.49 3.23 0.44 5.49 2.01 -1.26 -4.87 115.64 121.17 1yff s THR 4 Ca 0.39 1.24 0.24 0.00 0.31 0.00 0.00 61.69 63.87 1yff s THR 4 Cb -0.19 -3.79 0.44 0.00 0.01 0.00 0.00 72.50 68.97 1yff s THR 4 CO 0.21 0.30 1.76 -0.65 -0.69 0.00 0.00 174.62 175.54 1yff h PRO 5 N 3.68 0.26 -0.00 4.92 0.11 -2.00 0.30 132.00 139.26 1yff h PRO 5 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1yff h PRO 5 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1yff h PRO 5 CO 0.66 0.17 -0.80 -0.22 -0.21 0.00 0.00 178.00 177.61 1yff h LYS 6 N 0.26 0.01 -0.04 1.05 3.64 -2.00 -2.99 116.57 116.50 1yff h LYS 6 Ca 0.62 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.81 1yff h LYS 6 Cb 1.81 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1yff h LYS 6 CO -0.25 0.80 -0.76 0.93 -2.27 0.00 0.00 179.45 177.90 1yff h GLU 7 N 0.00 0.29 -0.20 1.90 5.08 -1.35 -2.36 114.58 117.94 1yff h GLU 7 Ca -0.01 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1yff h GLU 7 Cb 1.41 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1yff h GLU 7 CO 0.10 0.92 -0.24 0.87 -1.00 0.00 0.00 179.01 179.66 1yff h LYS 8 N 0.19 0.36 -0.07 2.33 1.57 -1.22 -2.09 116.57 117.65 1yff h LYS 8 Ca -0.03 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1yff h LYS 8 Cb 1.34 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1yff h LYS 8 CO 0.12 0.59 -0.13 0.77 -0.57 0.00 0.00 179.45 180.23 1yff h SER 9 N 0.33 0.23 0.01 0.86 0.02 -1.43 -3.03 113.55 110.53 1yff h SER 9 Ca 0.05 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.37 1yff h SER 9 Cb 0.61 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1yff h SER 9 CO 0.04 0.75 -0.17 0.00 -1.14 0.00 0.00 176.83 176.31 1yff h ALA 10 N 0.49 1.37 0.28 3.77 0.00 -1.30 -2.64 119.26 121.22 1yff h ALA 10 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1yff h ALA 10 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yff h ALA 10 CO 0.03 0.43 -0.13 0.28 0.00 0.00 0.00 179.25 179.85 1yff h VAL 11 N 0.29 0.70 -0.13 0.00 2.07 -1.43 -2.71 116.25 115.04 1yff h VAL 11 Ca 0.05 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1yff h VAL 11 Cb 0.47 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1yff h VAL 11 CO 0.03 0.13 -0.15 0.71 0.02 0.00 0.00 177.57 178.32 1yff h THR 12 N -0.79 1.18 -0.05 2.57 1.35 -1.55 0.51 112.91 116.12 1yff h THR 12 Ca -0.04 -0.79 -0.11 0.00 -0.55 0.00 0.00 66.41 64.93 1yff h THR 12 Cb 0.51 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1yff h THR 12 CO 0.06 0.24 -0.48 0.00 -0.25 0.00 0.00 175.52 175.10 1yff h ALA 13 N 1.66 1.11 0.17 6.62 0.00 -1.52 -2.01 119.26 125.28 1yff h ALA 13 Ca 0.04 -0.45 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 1yff h ALA 13 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yff h ALA 13 CO 0.02 0.62 -1.56 1.25 0.00 0.00 0.00 179.25 179.58 1yff h LEU 14 N 0.11 0.56 -1.52 0.00 7.12 -1.09 -3.34 115.31 117.15 1yff h LEU 14 Ca 0.00 -0.73 -0.02 0.00 0.13 0.00 0.00 57.88 57.27 1yff h LEU 14 Cb 0.88 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1yff h LEU 14 CO 0.07 1.60 -0.09 -0.25 -0.13 0.00 0.00 178.44 179.64 1yff h TRP 15 N 0.10 0.00 0.00 1.25 2.91 -0.73 -2.65 115.95 116.83 1yff h TRP 15 Ca -0.27 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.75 1yff h TRP 15 Cb 2.07 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.72 1yff h TRP 15 CO 0.09 0.09 0.00 0.78 -1.03 0.00 0.00 178.44 178.36 1yff h GLY 16 N 1.76 0.00 -1.67 2.65 0.00 -1.49 -3.00 103.07 101.32 1yff h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yff h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1yff n LYS 17 N -2.78 2.21 -2.32 4.80 5.02 -1.00 -4.96 118.16 119.14 1yff n LYS 17 Ca 0.04 -1.76 -0.42 0.00 -2.02 0.00 0.00 58.31 54.14 1yff n LYS 17 Cb 0.43 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1yff n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yff s VAL 18 N -1.99 3.72 -0.80 -0.18 1.01 -1.13 -4.96 120.40 116.07 1yff s VAL 18 Ca 0.30 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 63.26 1yff s VAL 18 Cb 0.20 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1yff s VAL 18 CO 0.31 0.10 1.57 0.21 0.00 0.00 0.00 175.10 177.28 1yff s ASN 19 N 1.06 5.86 0.61 3.32 3.84 -1.26 -4.86 114.94 123.52 1yff s ASN 19 Ca 0.61 -0.52 0.32 0.00 0.21 0.00 0.00 52.86 53.48 1yff s ASN 19 Cb -0.33 -2.55 1.84 0.00 -0.55 0.00 0.00 41.25 39.66 1yff s ASN 19 CO 0.30 -2.04 2.16 -0.37 -2.79 0.00 0.00 177.10 174.36 1yff h VAL 20 N 6.61 0.34 0.00 -5.21 -1.51 -1.96 -2.07 116.25 112.45 1yff h VAL 20 Ca -0.11 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 65.09 1yff h VAL 20 Cb 1.06 0.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.06 1yff h VAL 20 CO 1.29 0.00 -1.55 0.44 -1.23 0.00 0.00 177.57 176.52 1yff h ASP 21 N 0.00 0.01 0.00 4.19 3.32 -1.97 -3.43 116.42 118.54 1yff h ASP 21 Ca 0.04 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.73 1yff h ASP 21 Cb 0.32 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1yff h ASP 21 CO -0.00 1.02 -2.13 -0.62 -1.72 0.00 0.00 179.24 175.79 1yff n GLU 22 N -3.12 0.57 -0.31 3.56 1.02 -1.02 -4.62 120.64 116.72 1yff n GLU 22 Ca -0.13 0.25 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1yff n GLU 22 Cb 1.03 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 31.04 1yff n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1yff h VAL 23 N -1.00 0.09 -0.63 2.62 2.07 -1.66 -1.39 116.25 116.36 1yff h VAL 23 Ca -0.51 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1yff h VAL 23 Cb 1.45 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1yff h VAL 23 CO -0.31 0.00 0.14 1.23 0.02 0.00 0.00 177.57 178.65 1yff h GLY 24 N -0.04 1.06 2.00 2.17 0.00 -1.80 -1.67 103.07 104.79 1yff h GLY 24 Ca 0.35 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1yff h GLY 24 CO -0.88 0.61 -0.23 -1.33 0.00 0.00 0.00 176.54 174.71 1yff h GLY 25 N 1.04 0.00 1.81 4.60 0.00 -1.47 -2.36 103.07 106.68 1yff h GLY 25 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.30 1yff h GLY 25 CO 0.00 0.00 -1.13 0.83 0.00 0.00 0.00 176.54 176.24 1yff h GLU 26 N 0.00 0.05 -0.13 4.80 5.08 -0.78 -2.10 114.58 121.51 1yff h GLU 26 Ca -0.00 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1yff h GLU 26 Cb 0.67 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1yff h GLU 26 CO 0.03 0.99 -0.16 0.00 -1.00 0.00 0.00 179.01 178.87 1yff h ALA 27 N 0.91 0.20 -0.32 3.43 0.00 -1.02 -1.43 119.26 121.02 1yff h ALA 27 Ca -0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1yff h ALA 27 Cb 1.84 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1yff h ALA 27 CO 0.14 0.10 -0.24 1.25 0.00 0.00 0.00 179.25 180.49 1yff h LEU 28 N -0.05 0.77 -0.52 0.00 5.85 -1.54 -1.96 115.31 117.86 1yff h LEU 28 Ca 0.02 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1yff h LEU 28 Cb 0.71 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1yff h LEU 28 CO 0.04 1.05 0.33 1.23 -0.34 0.00 0.00 178.44 180.75 1yff h GLY 29 N 0.50 0.74 1.84 3.75 0.00 -1.40 -2.20 103.07 106.30 1yff h GLY 29 Ca 0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1yff h GLY 29 CO 0.06 0.23 -0.52 3.21 0.00 0.00 0.00 176.54 179.52 1yff h ARG 30 N 0.66 0.18 -0.95 4.80 3.08 -1.21 -2.53 114.38 118.41 1yff h ARG 30 Ca 0.20 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1yff h ARG 30 Cb -0.02 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1yff h ARG 30 CO -0.07 0.66 0.58 1.25 -1.07 0.00 0.00 179.97 181.31 1yff h LEU 31 N 0.14 1.14 -0.71 3.04 5.85 -0.83 0.18 115.31 124.12 1yff h LEU 31 Ca 0.00 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1yff h LEU 31 Cb 0.97 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1yff h LEU 31 CO 0.08 0.87 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.48 1yff h LEU 32 N 1.31 0.00 0.12 2.25 3.38 -1.12 -1.09 115.31 120.15 1yff h LEU 32 Ca 0.34 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.00 1yff h LEU 32 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1yff h LEU 32 CO -0.06 0.49 -1.62 0.58 0.09 0.00 0.00 178.44 177.91 1yff h VAL 33 N 0.00 0.88 0.00 1.22 2.07 -1.02 -3.24 116.25 116.17 1yff h VAL 33 Ca -0.00 -2.37 -0.22 0.00 0.82 0.00 0.00 66.70 64.92 1yff h VAL 33 Cb 1.06 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1yff h VAL 33 CO 0.06 0.75 -0.93 0.58 0.02 0.00 0.00 177.57 178.04 1yff h VAL 34 N -0.20 1.43 -2.72 2.57 2.07 -0.73 -3.37 116.25 115.30 1yff h VAL 34 Ca -0.35 -2.50 -0.61 0.00 0.82 0.00 0.00 66.70 64.06 1yff h VAL 34 Cb 1.85 2.44 -0.40 0.00 -1.52 0.00 0.00 31.29 33.65 1yff h VAL 34 CO 0.06 0.74 -0.74 -1.22 0.02 0.00 0.00 177.57 176.43 1yff n TYR 35 N -3.72 1.68 -0.18 1.57 4.01 -0.41 -5.00 117.16 115.11 1yff n TYR 35 Ca -0.06 -3.92 0.30 0.00 -0.16 0.00 0.00 57.90 54.05 1yff n TYR 35 Cb 0.83 -0.30 0.71 0.00 -0.31 0.00 0.00 39.34 40.27 1yff n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yff h PRO 36 N 5.31 0.00 0.00 -0.72 0.11 -1.73 -2.38 132.00 132.58 1yff h PRO 36 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1yff h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1yff h PRO 36 CO 0.60 0.00 -0.04 0.11 -0.21 0.00 0.00 178.00 178.46 1yff h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -2.17 115.95 112.61 1yff h TRP 37 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.42 1yff h TRP 37 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.22 1yff h TRP 37 CO 0.00 0.04 0.00 0.25 0.09 0.00 0.00 178.44 178.82 1yff n THR 38 N -3.72 0.86 0.28 0.12 -2.24 -0.90 -2.70 114.28 105.99 1yff n THR 38 Ca -0.03 0.24 0.17 0.00 -2.27 0.00 0.00 64.05 62.17 1yff n THR 38 Cb 0.13 -1.14 0.69 0.00 -2.10 0.00 0.00 70.33 67.91 1yff n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1yff h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.62 -2.80 115.11 114.11 1yff h GLN 39 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1yff h GLN 39 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1yff h GLN 39 CO 0.00 0.00 -0.13 -0.09 -0.67 0.00 0.00 178.83 177.94 1yff h ARG 40 N 0.00 0.00 0.00 1.46 2.43 -1.72 -2.12 114.38 114.42 1yff h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yff h ARG 40 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1yff h ARG 40 CO 0.00 0.13 -0.49 1.19 -1.51 0.00 0.00 179.97 179.28 1yff n PHE 41 N -3.46 0.26 -3.03 2.20 3.01 -1.06 -4.25 117.46 111.13 1yff n PHE 41 Ca -0.01 0.08 -0.25 0.00 1.01 0.00 0.00 57.45 58.27 1yff n PHE 41 Cb 0.29 -0.47 -0.04 0.00 -0.01 0.00 0.00 39.48 39.25 1yff n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1yff n PHE 42 N -1.78 3.17 0.07 1.38 3.01 -0.80 -4.86 117.46 117.65 1yff n PHE 42 Ca 0.05 -3.97 -0.08 0.00 1.01 0.00 0.00 57.45 54.46 1yff n PHE 42 Cb 0.38 -0.48 -0.09 0.00 -0.01 0.00 0.00 39.48 39.28 1yff n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1yff h GLU 43 N 3.10 0.04 0.00 -1.08 5.08 -1.74 -3.27 114.58 116.71 1yff h GLU 43 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1yff h GLU 43 Cb 0.61 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1yff h GLU 43 CO 0.75 0.99 0.00 -1.13 -1.00 0.00 0.00 179.01 178.62 1yff n SER 44 N -3.42 0.00 0.12 1.42 3.41 -1.26 -3.78 113.62 110.11 1yff n SER 44 Ca -0.01 -0.58 0.12 0.00 -0.26 0.00 0.00 58.87 58.14 1yff n SER 44 Cb 0.92 -0.10 0.24 0.00 -0.26 0.00 0.00 64.21 65.00 1yff n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1yff h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.97 -3.50 116.94 118.85 1yff h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1yff h PHE 45 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.03 1yff h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1yff n GLY 46 N 1.24 1.10 3.60 -1.45 0.00 -1.25 -4.74 105.19 103.70 1yff n GLY 46 Ca 0.04 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1yff n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yff s ASP 47 N -4.00 5.97 -0.08 1.61 3.68 -1.26 -4.83 116.67 117.75 1yff s ASP 47 Ca 0.00 1.19 0.14 0.00 2.13 0.00 0.00 52.55 56.01 1yff s ASP 47 Cb 0.00 -2.53 0.27 0.00 -1.45 0.00 0.00 42.92 39.22 1yff s ASP 47 CO 0.00 -1.67 1.13 0.18 0.13 0.00 0.00 175.17 174.94 1yff n LEU 48 N 10.04 1.47 -0.02 -1.34 4.77 -1.26 -4.15 117.00 126.50 1yff n LEU 48 Ca 0.22 -2.45 -0.13 0.00 -0.03 0.00 0.00 56.01 53.62 1yff n LEU 48 Cb 0.47 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1yff n LEU 48 CO 0.69 0.69 0.63 0.77 -1.33 0.00 0.00 177.39 178.84 1yff h SER 49 N 0.47 0.11 -2.73 -1.43 4.64 -1.92 -3.45 113.55 109.24 1yff h SER 49 Ca -0.06 -0.48 -0.59 0.00 -0.47 0.00 0.00 61.79 60.19 1yff h SER 49 Cb 1.33 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 63.29 1yff h SER 49 CO 0.02 0.57 -0.63 0.42 -0.87 0.00 0.00 176.83 176.34 1yff s THR 50 N -4.27 3.92 0.31 2.95 -4.23 -1.26 -5.03 115.64 108.01 1yff s THR 50 Ca -0.15 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1yff s THR 50 Cb 0.03 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1yff s THR 50 CO 0.70 -0.15 1.88 -0.65 -0.54 0.00 0.00 174.62 175.86 1yff h PRO 51 N 2.48 0.93 -0.12 3.99 0.11 -1.99 -1.78 132.00 135.62 1yff h PRO 51 Ca -0.47 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1yff h PRO 51 Cb 1.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1yff h PRO 51 CO 0.60 0.62 -0.31 -0.44 -0.21 0.00 0.00 178.00 178.26 1yff h ASP 52 N 0.96 0.22 0.43 -2.05 3.32 -1.99 -2.49 116.42 114.82 1yff h ASP 52 Ca 0.43 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 1yff h ASP 52 Cb 0.38 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1yff h ASP 52 CO -0.19 0.53 -0.68 0.00 -1.72 0.00 0.00 179.24 177.17 1yff h ALA 53 N 1.49 0.76 -0.12 3.45 0.00 -1.67 0.13 119.26 123.30 1yff h ALA 53 Ca 0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1yff h ALA 53 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yff h ALA 53 CO 0.05 0.78 -0.24 0.28 0.00 0.00 0.00 179.25 180.13 1yff h VAL 54 N 0.15 1.38 -0.13 0.00 2.07 -1.21 -2.00 116.25 116.51 1yff h VAL 54 Ca -0.02 -1.51 -0.14 0.00 0.82 0.00 0.00 66.70 65.85 1yff h VAL 54 Cb 1.22 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1yff h VAL 54 CO 0.10 0.44 -0.51 0.24 0.02 0.00 0.00 177.57 177.86 1yff h MET 55 N -0.05 0.37 -0.01 1.57 2.07 -1.44 -3.04 114.93 114.40 1yff h MET 55 Ca 0.00 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.42 1yff h MET 55 Cb 0.83 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 1yff h MET 55 CO 0.05 0.80 -0.03 0.41 1.07 0.00 0.00 176.91 179.21 1yff n GLY 56 N 0.11 -0.34 3.69 8.32 0.00 0.03 -4.85 105.19 112.16 1yff n GLY 56 Ca -0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1yff n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yff s ASN 57 N -2.07 7.00 0.29 1.61 3.84 -0.75 -4.95 114.94 119.91 1yff s ASN 57 Ca 0.39 1.94 -0.01 0.00 0.21 0.00 0.00 52.86 55.39 1yff s ASN 57 Cb 0.21 -2.56 0.44 0.00 -0.55 0.00 0.00 41.25 38.79 1yff s ASN 57 CO 0.37 -0.60 1.87 -0.65 -2.79 0.00 0.00 177.10 175.30 1yff h PRO 58 N 7.41 0.84 -0.21 0.43 0.11 -1.90 -2.96 132.00 135.73 1yff h PRO 58 Ca -0.37 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1yff h PRO 58 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1yff h PRO 58 CO 0.87 0.71 -0.24 0.87 -0.21 0.00 0.00 178.00 180.00 1yff h LYS 59 N 0.83 0.39 -0.12 1.05 1.79 -1.93 -1.86 116.57 116.72 1yff h LYS 59 Ca 0.19 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1yff h LYS 59 Cb 0.20 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1yff h LYS 59 CO -0.01 0.60 -0.11 0.28 -1.08 0.00 0.00 179.45 179.13 1yff h VAL 60 N 0.35 1.35 -0.55 0.50 2.07 -1.83 -1.83 116.25 116.30 1yff h VAL 60 Ca 0.05 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1yff h VAL 60 Cb 0.61 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1yff h VAL 60 CO 0.04 0.36 0.21 0.11 0.02 0.00 0.00 177.57 178.32 1yff h LYS 61 N -0.11 0.83 -0.28 1.57 1.57 -1.43 0.14 116.57 118.86 1yff h LYS 61 Ca 0.02 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 1yff h LYS 61 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1yff h LYS 61 CO 0.03 0.73 -0.44 0.00 -0.57 0.00 0.00 179.45 179.20 1yff h ALA 62 N 1.06 0.72 0.02 3.86 0.00 -1.39 -1.86 119.26 121.66 1yff h ALA 62 Ca 0.18 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1yff h ALA 62 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1yff h ALA 62 CO -0.01 0.67 -0.92 1.25 0.00 0.00 0.00 179.25 180.23 1yff h HIS 63 N 0.56 0.19 -0.07 0.00 -0.00 -1.25 -3.20 115.15 111.38 1yff h HIS 63 Ca 0.04 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.21 1yff h HIS 63 Cb 0.98 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 1yff h HIS 63 CO 0.05 0.97 -0.36 0.78 -0.00 0.00 0.00 177.93 179.37 1yff h GLY 64 N 2.17 0.16 2.00 5.26 0.00 -0.56 -2.22 103.07 109.88 1yff h GLY 64 Ca -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1yff h GLY 64 CO 0.13 0.12 -0.21 1.70 0.00 0.00 0.00 176.54 178.28 1yff h LYS 65 N 0.13 0.00 0.00 4.80 3.64 -1.33 -1.39 116.57 122.42 1yff h LYS 65 Ca 0.01 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1yff h LYS 65 Cb 0.70 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1yff h LYS 65 CO 0.05 0.21 -1.06 0.87 -2.27 0.00 0.00 179.45 177.26 1yff h LYS 66 N 0.00 0.00 -0.09 1.90 1.57 -1.48 -2.31 116.57 116.16 1yff h LYS 66 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1yff h LYS 66 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1yff h LYS 66 CO 0.03 0.72 -0.84 0.28 -0.57 0.00 0.00 179.45 179.07 1yff h VAL 67 N 0.00 1.31 -0.01 0.50 2.07 -0.95 -2.34 116.25 116.82 1yff h VAL 67 Ca -0.07 -2.10 -0.10 0.00 0.82 0.00 0.00 66.70 65.24 1yff h VAL 67 Cb 1.71 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1yff h VAL 67 CO 0.10 0.65 -0.45 0.25 0.02 0.00 0.00 177.57 178.14 1yff h LEU 68 N 0.43 0.03 -0.83 2.57 5.85 -1.31 -1.75 115.31 120.29 1yff h LEU 68 Ca -0.07 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1yff h LEU 68 Cb 1.46 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1yff h LEU 68 CO 0.16 0.48 -0.40 1.23 -0.34 0.00 0.00 178.44 179.57 1yff h GLY 69 N 1.35 0.00 1.98 3.75 0.00 -1.26 -1.44 103.07 107.44 1yff h GLY 69 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1yff h GLY 69 CO 0.06 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.59 1yff h ALA 70 N 1.60 0.35 0.01 3.60 0.00 -0.81 -2.32 119.26 121.68 1yff h ALA 70 Ca -0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 54.91 53.77 1yff h ALA 70 Cb 0.96 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1yff h ALA 70 CO 0.05 1.25 -0.94 0.74 0.00 0.00 0.00 179.25 180.35 1yff h PHE 71 N 0.00 0.53 -0.17 0.00 -1.00 -1.11 -2.60 116.94 112.59 1yff h PHE 71 Ca -0.02 -0.29 -0.13 0.00 2.81 0.00 0.00 57.97 60.34 1yff h PHE 71 Cb 1.78 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.27 1yff h PHE 71 CO 0.00 1.12 -0.45 0.77 -1.61 0.00 0.00 178.31 178.14 1yff h SER 72 N 0.19 0.45 -0.48 2.17 0.02 -1.28 -2.01 113.55 112.61 1yff h SER 72 Ca -0.07 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1yff h SER 72 Cb 1.58 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 1yff h SER 72 CO 0.16 0.84 0.01 0.44 -1.14 0.00 0.00 176.83 177.14 1yff h ASP 73 N 0.34 0.86 1.09 3.07 3.32 -1.39 -2.85 116.42 120.87 1yff h ASP 73 Ca 0.02 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 1yff h ASP 73 Cb 0.93 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1yff h ASP 73 CO 0.08 0.92 -0.48 1.23 -1.72 0.00 0.00 179.24 179.27 1yff h GLY 74 N 0.99 0.00 2.00 2.75 0.00 -1.16 -3.07 103.07 104.59 1yff h GLY 74 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1yff h GLY 74 CO 0.02 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.86 1yff h LEU 75 N 0.00 0.00 0.00 3.11 3.38 -1.13 -2.66 115.31 118.01 1yff h LEU 75 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1yff h LEU 75 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1yff h LEU 75 CO 0.06 0.11 -1.25 0.00 0.09 0.00 0.00 178.44 177.45 1yff n ALA 76 N -2.14 2.21 -2.68 1.53 0.00 -1.18 -4.32 120.51 113.92 1yff n ALA 76 Ca 0.01 -0.41 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 1yff n ALA 76 Cb 0.43 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1yff n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yff n HIS 77 N -2.78 3.31 0.26 0.00 8.25 -1.09 -4.87 115.22 118.31 1yff n HIS 77 Ca -0.05 -3.43 0.13 0.00 -0.26 0.00 0.00 57.72 54.11 1yff n HIS 77 Cb 0.71 -0.26 0.72 0.00 1.12 0.00 0.00 29.99 32.28 1yff n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yff h LEU 78 N 2.77 0.00 0.00 2.41 3.38 -1.67 -2.85 115.31 119.34 1yff h LEU 78 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1yff h LEU 78 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1yff h LEU 78 CO 0.80 0.12 -0.65 -2.24 0.09 0.00 0.00 178.44 176.56 1yff h ASP 79 N 0.00 0.00 -2.09 -0.43 2.03 -1.89 -3.38 116.42 110.65 1yff h ASP 79 Ca -0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1yff h ASP 79 Cb 0.36 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.46 1yff h ASP 79 CO 0.02 0.40 -0.90 -3.20 -1.03 0.00 0.00 179.24 174.52 1yff n ASN 80 N -3.09 1.56 0.10 4.15 5.15 -1.08 -4.91 115.26 117.12 1yff n ASN 80 Ca -0.00 -2.98 -0.03 0.00 -0.60 0.00 0.00 54.58 50.97 1yff n ASN 80 Cb 0.71 -0.65 -0.04 0.00 -0.53 0.00 0.00 39.78 39.27 1yff n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yff h LEU 81 N 4.11 0.00 -0.45 1.20 3.38 -1.74 -3.05 115.31 118.77 1yff h LEU 81 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1yff h LEU 81 Cb 0.80 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1yff h LEU 81 CO 0.61 0.78 0.16 0.50 0.09 0.00 0.00 178.44 180.58 1yff h LYS 82 N 0.00 0.68 0.00 1.13 3.64 -1.90 -2.26 116.57 117.86 1yff h LYS 82 Ca -0.01 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.07 1yff h LYS 82 Cb 1.57 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 1yff h LYS 82 CO 0.10 0.63 -0.81 0.78 -2.27 0.00 0.00 179.45 177.89 1yff h GLY 83 N 0.58 0.00 1.65 5.01 0.00 -1.95 -2.45 103.07 105.90 1yff h GLY 83 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 1yff h GLY 83 CO -0.01 0.00 -0.57 -0.84 0.00 0.00 0.00 176.54 175.12 1yff h THR 84 N 0.00 1.35 -0.54 4.70 2.02 -1.42 -3.21 112.91 115.82 1yff h THR 84 Ca -0.01 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1yff h THR 84 Cb 1.49 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1yff h THR 84 CO 0.10 0.56 0.00 0.49 0.37 0.00 0.00 175.52 177.05 1yff n PHE 85 N -3.92 0.93 -0.17 3.16 3.01 -0.86 -4.68 117.46 114.93 1yff n PHE 85 Ca -0.03 -0.56 -0.02 0.00 1.01 0.00 0.00 57.45 57.84 1yff n PHE 85 Cb 0.60 -0.10 0.07 0.00 -0.01 0.00 0.00 39.48 40.04 1yff n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yff h ALA 86 N 3.23 0.66 -0.28 4.37 0.00 -1.44 0.27 119.26 126.08 1yff h ALA 86 Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1yff h ALA 86 Cb 1.06 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1yff h ALA 86 CO 0.08 -0.19 -0.52 1.15 0.00 0.00 0.00 179.25 179.77 1yff h THR 87 N 0.39 1.29 0.00 0.00 2.02 -1.84 -3.00 112.91 111.77 1yff h THR 87 Ca 0.25 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.68 1yff h THR 87 Cb 0.27 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1yff h THR 87 CO -0.25 0.56 -0.17 -0.07 0.37 0.00 0.00 175.52 175.96 1yff h LEU 88 N 0.62 0.00 -0.41 2.58 3.38 -1.78 -2.68 115.31 117.02 1yff h LEU 88 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1yff h LEU 88 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1yff h LEU 88 CO 0.11 0.17 -0.62 -1.28 0.09 0.00 0.00 178.44 176.91 1yff h SER 89 N 0.00 0.00 0.49 -0.43 0.87 -0.35 -2.11 113.55 112.02 1yff h SER 89 Ca -0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 1yff h SER 89 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1yff h SER 89 CO 0.02 0.62 -1.12 -0.33 -0.53 0.00 0.00 176.83 175.49 1yff h GLU 90 N 0.00 0.34 0.30 2.24 5.08 -1.36 -2.62 114.58 118.56 1yff h GLU 90 Ca -0.01 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1yff h GLU 90 Cb 1.29 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1yff h GLU 90 CO 0.08 1.18 -0.14 1.25 -1.00 0.00 0.00 179.01 180.37 1yff h LEU 91 N 0.14 -0.34 -1.52 1.33 5.85 -1.45 -2.07 115.31 117.26 1yff h LEU 91 Ca -0.11 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1yff h LEU 91 Cb 1.80 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 1yff h LEU 91 CO 0.19 0.09 -0.12 0.45 -0.34 0.00 0.00 178.44 178.70 1yff h HIS 92 N -0.85 0.00 0.00 1.25 3.86 -1.51 -0.74 115.15 117.16 1yff h HIS 92 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1yff h HIS 92 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1yff h HIS 92 CO 0.04 0.12 -0.57 0.00 0.86 0.00 0.00 177.93 178.38 1yff h ASP 94 N -0.57 0.06 0.00 0.00 3.32 -1.55 -3.08 116.42 114.61 1yff h ASP 94 Ca 0.00 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1yff h ASP 94 Cb 0.57 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1yff h ASP 94 CO 0.00 0.63 -1.08 0.29 -1.72 0.00 0.00 179.24 177.36 1yff n LYS 95 N -3.86 0.53 0.12 3.56 5.02 -1.10 -4.74 118.16 117.68 1yff n LYS 95 Ca -0.01 0.27 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 1yff n LYS 95 Cb 0.59 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1yff n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yff h LEU 96 N -1.00 0.00 -1.54 -0.35 3.38 -1.34 -3.49 115.31 110.97 1yff h LEU 96 Ca -0.07 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 1yff h LEU 96 Cb 0.99 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.90 1yff h LEU 96 CO -0.05 0.66 -0.76 1.41 0.09 0.00 0.00 178.44 179.79 1yff n HIS 97 N -3.27 -2.28 -2.85 1.13 8.25 -1.16 -4.99 115.22 110.06 1yff n HIS 97 Ca 0.01 0.95 -0.41 0.00 -0.26 0.00 0.00 57.72 58.01 1yff n HIS 97 Cb 0.80 -5.05 -0.04 0.00 1.12 0.00 0.00 29.99 26.82 1yff n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yff s VAL 98 N -3.37 4.90 0.18 1.59 1.01 -0.27 -5.01 120.40 119.44 1yff s VAL 98 Ca 0.09 1.77 -0.32 0.00 0.00 0.00 0.00 61.98 63.52 1yff s VAL 98 Cb -0.04 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1yff s VAL 98 CO 0.73 0.12 1.60 -0.62 0.00 0.00 0.00 175.10 176.94 1yff s ASP 99 N 1.01 6.53 0.43 3.32 2.15 -1.26 -4.77 116.67 124.08 1yff s ASP 99 Ca 0.44 2.69 0.20 0.00 0.43 0.00 0.00 52.55 56.30 1yff s ASP 99 Cb -0.18 -2.60 1.07 0.00 -0.30 0.00 0.00 42.92 40.91 1yff s ASP 99 CO 0.19 -0.86 1.54 1.55 -0.17 0.00 0.00 175.17 177.42 1yff h PRO 100 N 6.69 0.00 -0.02 4.34 0.13 -1.95 -1.82 132.00 139.37 1yff h PRO 100 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 1yff h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1yff h PRO 100 CO 0.92 0.00 -0.51 1.49 -0.23 0.00 0.00 178.00 179.66 1yff h GLU 101 N 0.00 0.04 0.00 0.86 4.57 -1.99 -2.90 114.58 115.16 1yff h GLU 101 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1yff h GLU 101 Cb 0.54 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1yff h GLU 101 CO 0.00 0.55 -0.02 -0.91 -1.18 0.00 0.00 179.01 177.44 1yff h ASN 102 N 0.04 0.00 -0.23 1.04 2.35 -1.70 -2.64 115.58 114.43 1yff h ASN 102 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 1yff h ASN 102 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1yff h ASN 102 CO 0.07 0.02 -0.57 -0.26 -1.65 0.00 0.00 177.43 175.04 1yff h PHE 103 N 0.00 1.02 0.00 1.19 0.04 -1.66 -2.00 116.94 115.53 1yff h PHE 103 Ca -0.00 -0.39 -0.01 0.00 2.80 0.00 0.00 57.97 60.37 1yff h PHE 103 Cb 0.59 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 1yff h PHE 103 CO 0.00 1.21 -0.06 0.07 -0.60 0.00 0.00 178.31 178.93 1yff h ARG 104 N 0.54 0.00 -0.07 1.51 0.11 -1.57 -2.87 114.38 112.02 1yff h ARG 104 Ca -0.01 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.92 1yff h ARG 104 Cb 1.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.28 1yff h ARG 104 CO 0.12 0.06 -0.55 -0.07 0.10 0.00 0.00 179.97 179.63 1yff h LEU 105 N 0.00 0.61 -0.86 0.08 3.38 -1.34 -2.46 115.31 114.73 1yff h LEU 105 Ca -0.00 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.23 1yff h LEU 105 Cb 0.94 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1yff h LEU 105 CO 0.01 1.19 0.17 0.25 0.09 0.00 0.00 178.44 180.15 1yff h LEU 106 N 0.08 0.95 -0.92 1.67 5.85 -1.35 -0.83 115.31 120.76 1yff h LEU 106 Ca -0.05 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1yff h LEU 106 Cb 1.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1yff h LEU 106 CO 0.11 0.91 -0.11 1.23 -0.34 0.00 0.00 178.44 180.24 1yff h GLY 107 N 1.05 0.72 1.85 3.75 0.00 -1.54 -0.30 103.07 108.62 1yff h GLY 107 Ca 0.21 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1yff h GLY 107 CO -0.00 0.49 -0.59 3.43 0.00 0.00 0.00 176.54 179.87 1yff h ASN 108 N 0.61 0.17 0.68 0.19 2.35 -0.97 -1.90 115.58 116.71 1yff h ASN 108 Ca 0.11 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 1yff h ASN 108 Cb 0.55 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1yff h ASN 108 CO 0.03 0.72 -0.79 0.58 -1.65 0.00 0.00 177.43 176.32 1yff h VAL 109 N 0.11 1.52 -0.43 2.81 2.07 -0.76 -2.02 116.25 119.57 1yff h VAL 109 Ca -0.00 -2.59 -0.11 0.00 0.82 0.00 0.00 66.70 64.82 1yff h VAL 109 Cb 1.07 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1yff h VAL 109 CO 0.09 0.75 -0.15 0.25 0.02 0.00 0.00 177.57 178.52 1yff h LEU 110 N 0.05 0.87 -1.34 2.57 5.85 -0.79 -0.48 115.31 122.04 1yff h LEU 110 Ca -0.02 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1yff h LEU 110 Cb 1.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1yff h LEU 110 CO 0.11 1.06 0.11 0.58 -0.34 0.00 0.00 178.44 179.96 1yff h VAL 111 N 0.68 1.17 0.00 1.05 2.07 -1.20 0.91 116.25 120.93 1yff h VAL 111 Ca 0.10 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1yff h VAL 111 Cb 0.70 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1yff h VAL 111 CO 0.05 0.21 -0.68 0.00 0.02 0.00 0.00 177.57 177.18 1yff h VAL 113 N 0.00 1.46 0.00 0.00 2.07 0.07 -2.05 116.25 117.79 1yff h VAL 113 Ca -0.01 -2.78 -0.09 0.00 0.82 0.00 0.00 66.70 64.65 1yff h VAL 113 Cb 1.22 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 1yff h VAL 113 CO 0.09 0.82 -0.41 -0.07 0.02 0.00 0.00 177.57 178.02 1yff h LEU 114 N 0.14 0.00 -0.06 2.57 3.38 -0.81 -1.37 115.31 119.16 1yff h LEU 114 Ca -0.11 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 1yff h LEU 114 Cb 1.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.54 1yff h LEU 114 CO 0.18 0.41 -1.06 0.00 0.09 0.00 0.00 178.44 178.06 1yff h ALA 115 N 1.59 0.25 -0.30 1.53 0.00 -1.35 -2.25 119.26 118.73 1yff h ALA 115 Ca -0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 54.91 54.01 1yff h ALA 115 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1yff h ALA 115 CO 0.05 0.84 -0.35 1.25 0.00 0.00 0.00 179.25 181.04 1yff h HIS 116 N 0.20 0.78 0.22 0.00 6.17 -1.03 -1.88 115.15 119.61 1yff h HIS 116 Ca -0.11 -0.21 -0.31 0.00 0.71 0.00 0.00 60.37 60.45 1yff h HIS 116 Cb 1.72 -0.17 0.03 0.00 2.52 0.00 0.00 27.41 31.51 1yff h HIS 116 CO 0.07 0.92 -1.42 0.45 0.71 0.00 0.00 177.93 178.67 1yff h HIS 117 N 0.56 0.83 0.00 5.26 -0.00 -1.30 -3.38 115.15 117.12 1yff h HIS 117 Ca 0.06 -0.61 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 1yff h HIS 117 Cb 0.86 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 1yff h HIS 117 CO 0.04 1.55 -1.03 1.19 -0.00 0.00 0.00 177.93 179.68 1yff n PHE 118 N -3.78 0.30 0.00 2.45 3.01 -0.85 -5.05 117.46 113.54 1yff n PHE 118 Ca -0.18 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1yff n PHE 118 Cb 1.04 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1yff n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yff n GLY 119 N 1.36 3.29 0.29 1.37 0.00 -0.71 -2.63 105.19 108.17 1yff n GLY 119 Ca 0.02 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1yff n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yff h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 -2.17 116.57 115.61 1yff h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yff h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1yff h LYS 120 CO 0.00 0.03 0.00 1.49 -0.57 0.00 0.00 179.45 180.40 1yff h GLU 121 N 0.00 0.00 -3.16 3.15 4.81 -1.91 -3.07 114.58 114.40 1yff h GLU 121 Ca -0.00 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.46 1yff h GLU 121 Cb 0.30 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.49 1yff h GLU 121 CO 0.00 0.00 1.68 0.34 -0.73 0.00 0.00 179.01 180.31 1yff n PHE 122 N -2.99 2.67 -1.03 0.92 7.35 -0.82 -4.99 117.46 118.57 1yff n PHE 122 Ca -0.01 -2.71 -0.31 0.00 -0.76 0.00 0.00 57.45 53.66 1yff n PHE 122 Cb 0.21 -1.70 0.13 0.00 0.35 0.00 0.00 39.48 38.47 1yff n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yff s THR 123 N -0.94 2.63 0.28 -2.13 -4.23 -1.16 -4.78 115.64 105.31 1yff s THR 123 Ca 0.39 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1yff s THR 123 Cb 0.10 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.72 1yff s THR 123 CO 0.02 -0.26 1.76 -0.65 -0.54 0.00 0.00 174.62 174.95 1yff h PRO 124 N -1.36 0.64 0.00 3.99 0.11 -1.94 -2.15 132.00 131.28 1yff h PRO 124 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yff h PRO 124 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yff h PRO 124 CO 0.47 0.42 0.00 -1.00 -0.21 0.00 0.00 178.00 177.68 1yff h PRO 125 N 0.66 0.00 0.12 1.05 0.13 -1.99 -1.93 132.00 130.03 1yff h PRO 125 Ca 0.52 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.37 1yff h PRO 125 Cb 0.79 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.93 1yff h PRO 125 CO -0.39 0.00 -1.22 0.28 -0.23 0.00 0.00 178.00 176.44 1yff h VAL 126 N 0.00 1.40 -0.53 1.56 2.07 -1.75 -3.03 116.25 115.96 1yff h VAL 126 Ca 0.00 -2.75 -0.10 0.00 0.82 0.00 0.00 66.70 64.67 1yff h VAL 126 Cb 0.48 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1yff h VAL 126 CO 0.00 0.82 -0.06 -0.61 0.02 0.00 0.00 177.57 177.73 1yff h GLN 127 N 0.16 0.98 -0.47 1.57 4.15 -1.08 -1.82 115.11 118.61 1yff h GLN 127 Ca -0.15 -0.34 0.07 0.00 0.77 0.00 0.00 58.65 58.99 1yff h GLN 127 Cb 1.91 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 29.50 1yff h GLN 127 CO 0.21 1.02 0.32 0.00 -1.93 0.00 0.00 178.83 178.45 1yff h ALA 128 N 0.93 2.01 -0.00 3.38 0.00 -1.39 0.68 119.26 124.87 1yff h ALA 128 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1yff h ALA 128 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1yff h ALA 128 CO 0.04 -0.10 -0.22 0.00 0.00 0.00 0.00 179.25 178.96 1yff h ALA 129 N 1.75 0.03 0.00 0.00 0.00 -1.35 -3.23 119.26 116.47 1yff h ALA 129 Ca 0.21 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1yff h ALA 129 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1yff h ALA 129 CO -0.05 0.06 -0.18 1.88 0.00 0.00 0.00 179.25 180.97 1yff h TYR 130 N -0.52 0.00 0.00 0.00 0.05 -0.50 -2.43 116.97 113.57 1yff h TYR 130 Ca -0.03 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 1yff h TYR 130 Cb 0.97 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 1yff h TYR 130 CO 0.18 0.18 -0.61 1.96 -1.05 0.00 0.00 178.16 178.82 1yff h GLN 131 N 0.00 0.00 -0.01 4.88 1.08 -0.95 -0.80 115.11 119.31 1yff h GLN 131 Ca -0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 1yff h GLN 131 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1yff h GLN 131 CO 0.02 0.61 -0.87 0.87 -0.95 0.00 0.00 178.83 178.51 1yff h LYS 132 N 0.00 0.29 0.23 1.46 1.57 -1.46 -2.82 116.57 115.84 1yff h LYS 132 Ca -0.01 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1yff h LYS 132 Cb 1.10 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1yff h LYS 132 CO 0.08 0.99 -0.11 0.28 -0.57 0.00 0.00 179.45 180.12 1yff h VAL 133 N 0.17 0.73 0.00 0.50 2.07 -1.23 -2.61 116.25 115.87 1yff h VAL 133 Ca -0.05 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1yff h VAL 133 Cb 1.48 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1yff h VAL 133 CO 0.14 0.17 -0.12 -0.37 0.02 0.00 0.00 177.57 177.40 1yff h VAL 134 N -0.85 0.59 0.00 2.57 -1.51 -1.25 -0.73 116.25 115.07 1yff h VAL 134 Ca -0.03 -0.55 -0.21 0.00 -1.23 0.00 0.00 66.70 64.68 1yff h VAL 134 Cb 0.51 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 31.00 1yff h VAL 134 CO 0.05 0.12 -1.02 0.00 -1.23 0.00 0.00 177.57 175.49 1yff h ALA 135 N 1.88 0.42 -0.14 5.19 0.00 -1.58 -2.46 119.26 122.57 1yff h ALA 135 Ca -0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 54.91 53.79 1yff h ALA 135 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1yff h ALA 135 CO 0.02 1.22 -0.73 0.78 0.00 0.00 0.00 179.25 180.54 1yff h GLY 136 N 3.09 0.72 0.98 0.00 0.00 -0.87 -1.53 103.07 105.47 1yff h GLY 136 Ca -0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 47.33 46.19 1yff h GLY 136 CO 0.12 0.89 -0.20 -2.08 0.00 0.00 0.00 176.54 175.27 1yff h VAL 137 N 0.46 1.29 -0.52 4.60 2.07 -1.23 -2.15 116.25 120.76 1yff h VAL 137 Ca -0.04 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1yff h VAL 137 Cb 1.33 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1yff h VAL 137 CO 0.14 0.43 0.17 0.00 0.02 0.00 0.00 177.57 178.34 1yff h ALA 138 N 0.77 0.69 0.00 1.67 0.00 -1.42 -0.77 119.26 120.20 1yff h ALA 138 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1yff h ALA 138 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1yff h ALA 138 CO 0.06 0.33 -0.32 -0.97 0.00 0.00 0.00 179.25 178.35 1yff h ASN 139 N 0.72 0.00 0.61 0.00 -0.73 -1.27 -2.01 115.58 112.90 1yff h ASN 139 Ca 0.17 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 58.06 1yff h ASN 139 Cb 0.26 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 1yff h ASN 139 CO -0.01 0.32 -1.32 0.00 -0.37 0.00 0.00 177.43 176.05 1yff h ALA 140 N 1.68 0.20 0.00 1.57 0.00 -1.17 -3.25 119.26 118.29 1yff h ALA 140 Ca -0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 1yff h ALA 140 Cb 0.91 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1yff h ALA 140 CO 0.04 1.07 -0.02 1.25 0.00 0.00 0.00 179.25 181.59 1yff h LEU 141 N 0.06 0.00 -3.18 0.00 5.85 -1.00 -3.14 115.31 113.90 1yff h LEU 141 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1yff h LEU 141 Cb 1.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1yff h LEU 141 CO 0.18 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 1yff n ALA 142 N -2.10 3.39 0.20 1.25 0.00 -0.77 -4.39 120.51 118.08 1yff n ALA 142 Ca 0.03 -1.64 0.05 0.00 0.00 0.00 0.00 53.44 51.88 1yff n ALA 142 Cb 0.48 -1.07 0.42 0.00 0.00 0.00 0.00 19.45 19.28 1yff n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yff h HIS 143 N 3.90 0.00 0.00 0.00 6.17 -1.58 -2.89 115.15 120.76 1yff h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1yff h HIS 143 Cb 1.62 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.55 1yff h HIS 143 CO 0.87 0.33 0.00 1.63 0.71 0.00 0.00 177.93 181.47 1yff n LYS 144 N -3.85 0.51 -0.75 5.26 4.76 -1.26 -3.46 118.16 119.37 1yff n LYS 144 Ca -0.01 0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 1yff n LYS 144 Cb 0.40 -1.50 0.22 0.00 -1.84 0.00 0.00 35.03 32.32 1yff n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1yff n TYR 145 N -1.16 1.80 0.48 2.13 4.01 -1.09 -4.95 117.16 118.38 1yff n TYR 145 Ca 0.14 -0.92 0.06 0.00 -0.16 0.00 0.00 57.90 57.02 1yff n TYR 145 Cb 0.14 -0.55 0.05 0.00 -0.31 0.00 0.00 39.34 38.67 1yff n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12