#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yff s LEU 2 N 0.00 -0.22 0.12 6.55 1.43 -1.26 -5.12 118.68 120.17 1yff s LEU 2 Ca 0.00 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1yff s LEU 2 Cb 0.00 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1yff s LEU 2 CO 0.00 -4.79 -0.11 -0.44 0.23 0.00 0.00 176.35 171.24 1yff s SER 3 N -3.58 1.64 0.56 2.29 0.01 -1.26 -5.04 113.70 108.31 1yff s SER 3 Ca 0.70 -0.88 0.34 0.00 1.31 0.00 0.00 55.95 57.42 1yff s SER 3 Cb -0.11 -0.01 1.63 0.00 0.21 0.00 0.00 66.02 67.75 1yff s SER 3 CO 0.57 -0.27 2.10 -0.65 0.41 0.00 0.00 173.24 175.40 1yff h PRO 4 N 3.29 0.00 0.00 12.44 0.11 -2.00 -1.76 132.00 144.08 1yff h PRO 4 Ca -0.37 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.50 1yff h PRO 4 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1yff h PRO 4 CO 0.56 0.06 -1.19 0.00 -0.21 0.00 0.00 178.00 177.22 1yff h ALA 5 N 1.94 0.47 -0.41 -0.75 0.00 -2.00 -3.14 119.26 115.38 1yff h ALA 5 Ca -0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 54.91 53.71 1yff h ALA 5 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1yff h ALA 5 CO 0.01 1.34 -0.30 -0.44 0.00 0.00 0.00 179.25 179.85 1yff h ASP 6 N 0.00 0.98 -0.33 0.00 3.32 -1.74 -2.70 116.42 115.93 1yff h ASP 6 Ca -0.09 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 1yff h ASP 6 Cb 1.83 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.09 1yff h ASP 6 CO 0.12 1.21 -0.08 0.11 -1.72 0.00 0.00 179.24 178.88 1yff h LYS 7 N 0.76 0.74 -0.34 3.56 1.57 -1.48 -1.79 116.57 119.59 1yff h LYS 7 Ca 0.08 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1yff h LYS 7 Cb 0.89 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1yff h LYS 7 CO 0.08 0.81 -0.02 1.15 -0.57 0.00 0.00 179.45 180.90 1yff h THR 8 N 0.68 1.26 -0.13 -0.16 2.02 -1.49 -2.03 112.91 113.07 1yff h THR 8 Ca 0.12 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.18 1yff h THR 8 Cb 0.53 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1yff h THR 8 CO 0.03 0.33 -0.45 0.78 0.37 0.00 0.00 175.52 176.57 1yff h ASN 9 N 0.41 0.33 -0.26 4.18 -0.26 -1.36 -1.88 115.58 116.73 1yff h ASN 9 Ca 0.09 -0.15 -0.17 0.00 -0.56 0.00 0.00 56.30 55.51 1yff h ASN 9 Cb 0.48 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1yff h ASN 9 CO 0.02 0.74 -0.50 0.58 -1.06 0.00 0.00 177.43 177.21 1yff h VAL 10 N 0.25 1.29 -0.03 2.81 2.07 -1.25 -1.20 116.25 120.19 1yff h VAL 10 Ca 0.02 -1.69 -0.12 0.00 0.82 0.00 0.00 66.70 65.72 1yff h VAL 10 Cb 0.90 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1yff h VAL 10 CO 0.07 0.55 -0.54 0.11 0.02 0.00 0.00 177.57 177.78 1yff h LYS 11 N 0.56 0.09 0.07 1.57 1.57 -1.29 -1.63 116.57 117.51 1yff h LYS 11 Ca 0.01 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 1yff h LYS 11 Cb 1.11 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.44 1yff h LYS 11 CO 0.11 0.60 -0.83 0.00 -0.57 0.00 0.00 179.45 178.77 1yff h ALA 12 N 1.39 0.01 -0.19 3.86 0.00 -1.31 -2.44 119.26 120.57 1yff h ALA 12 Ca -0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 1yff h ALA 12 Cb 0.97 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1yff h ALA 12 CO 0.07 0.45 -0.36 0.00 0.00 0.00 0.00 179.25 179.41 1yff h ALA 13 N 0.25 0.30 0.00 0.00 0.00 -1.22 -3.08 119.26 115.51 1yff h ALA 13 Ca -0.12 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1yff h ALA 13 Cb 1.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1yff h ALA 13 CO 0.16 0.37 -0.02 2.35 0.00 0.00 0.00 179.25 182.11 1yff h TRP 14 N 0.25 0.00 0.00 0.00 2.91 -1.43 -2.91 115.95 114.78 1yff h TRP 14 Ca 0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1yff h TRP 14 Cb 0.96 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1yff h TRP 14 CO 0.09 0.02 0.00 0.78 -1.03 0.00 0.00 178.44 178.30 1yff h GLY 15 N 2.74 0.00 0.11 2.65 0.00 -1.34 -2.58 103.07 104.64 1yff h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yff h GLY 15 CO 0.00 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.41 1yff n LYS 16 N -2.78 0.69 -0.05 4.80 4.76 -1.10 -4.13 118.16 120.35 1yff n LYS 16 Ca 0.02 -0.46 -0.01 0.00 -2.87 0.00 0.00 58.31 54.99 1yff n LYS 16 Cb 0.34 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1yff n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1yff h VAL 17 N 1.13 0.00 0.00 -0.18 2.07 -1.55 -3.47 116.25 114.24 1yff h VAL 17 Ca 0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1yff h VAL 17 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1yff h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1yff n GLY 18 N 1.76 0.51 0.18 2.17 0.00 -1.19 -1.29 105.19 107.33 1yff n GLY 18 Ca -0.01 0.65 0.06 0.00 0.00 0.00 0.00 46.02 46.71 1yff n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yff h ALA 19 N -0.28 0.88 -0.11 4.61 0.00 -1.93 -3.20 119.26 119.22 1yff h ALA 19 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1yff h ALA 19 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yff h ALA 19 CO 0.00 0.48 0.00 0.72 0.00 0.00 0.00 179.25 180.45 1yff n HIS 20 N -3.38 0.15 -0.14 0.00 8.25 -0.41 -4.45 115.22 115.24 1yff n HIS 20 Ca 0.01 -0.07 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 1yff n HIS 20 Cb 0.58 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.71 1yff n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yff h ALA 21 N 3.45 0.22 -0.48 -1.41 0.00 -1.71 -1.68 119.26 117.66 1yff h ALA 21 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1yff h ALA 21 Cb 0.19 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yff h ALA 21 CO 0.00 -0.50 0.13 0.78 0.00 0.00 0.00 179.25 179.66 1yff h GLY 22 N -0.06 0.76 0.87 0.00 0.00 -1.82 -0.31 103.07 102.50 1yff h GLY 22 Ca 0.22 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1yff h GLY 22 CO -0.50 0.39 -0.21 -2.09 0.00 0.00 0.00 176.54 174.13 1yff h GLU 23 N 0.69 0.55 -0.42 4.80 4.81 -1.78 -1.63 114.58 121.60 1yff h GLU 23 Ca 0.16 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1yff h GLU 23 Cb 0.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1yff h GLU 23 CO -0.01 0.86 -0.05 1.88 -0.73 0.00 0.00 179.01 180.96 1yff h TYR 24 N 0.24 0.86 -0.55 0.92 0.99 -1.08 -0.81 116.97 117.55 1yff h TYR 24 Ca 0.04 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.54 1yff h TYR 24 Cb 0.75 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 1yff h TYR 24 CO 0.08 0.87 0.12 0.78 -0.00 0.00 0.00 178.16 180.00 1yff h GLY 25 N 0.61 0.96 1.43 3.88 0.00 -1.07 0.73 103.07 109.61 1yff h GLY 25 Ca 0.11 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1yff h GLY 25 CO 0.03 0.57 -0.19 0.00 0.00 0.00 0.00 176.54 176.96 1yff h ALA 26 N 1.01 1.01 -0.26 3.60 0.00 -1.19 -1.10 119.26 122.34 1yff h ALA 26 Ca 0.17 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1yff h ALA 26 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yff h ALA 26 CO 0.01 0.59 -0.58 1.49 0.00 0.00 0.00 179.25 180.75 1yff h GLU 27 N 0.59 0.85 -0.66 0.00 4.81 -0.93 -0.98 114.58 118.27 1yff h GLU 27 Ca 0.09 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1yff h GLU 27 Cb 0.65 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1yff h GLU 27 CO 0.05 1.20 0.31 0.00 -0.73 0.00 0.00 179.01 179.84 1yff h ALA 28 N 0.65 0.85 -0.45 2.92 0.00 -0.60 0.47 119.26 123.10 1yff h ALA 28 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1yff h ALA 28 Cb 1.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1yff h ALA 28 CO 0.13 0.41 -0.23 -0.07 0.00 0.00 0.00 179.25 179.49 1yff h LEU 29 N 0.91 0.96 -0.68 0.00 3.38 -1.14 -2.37 115.31 116.37 1yff h LEU 29 Ca 0.23 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1yff h LEU 29 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1yff h LEU 29 CO -0.03 1.14 -0.20 -0.08 0.09 0.00 0.00 178.44 179.36 1yff h GLU 30 N 0.80 0.81 -0.16 1.13 4.81 -0.71 -1.25 114.58 120.00 1yff h GLU 30 Ca 0.10 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1yff h GLU 30 Cb 0.80 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1yff h GLU 30 CO 0.07 0.94 -0.20 0.00 -0.73 0.00 0.00 179.01 179.09 1yff h ARG 31 N 0.71 0.27 -0.02 1.92 3.08 -0.79 -1.67 114.38 117.88 1yff h ARG 31 Ca 0.10 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1yff h ARG 31 Cb 0.72 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1yff h ARG 31 CO 0.06 0.47 -0.26 1.98 -1.07 0.00 0.00 179.97 181.14 1yff h MET 32 N 0.25 0.21 -0.92 0.04 4.05 -1.05 -2.30 114.93 115.21 1yff h MET 32 Ca 0.05 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 1yff h MET 32 Cb 0.50 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 1yff h MET 32 CO 0.03 0.89 0.52 0.74 0.23 0.00 0.00 176.91 179.33 1yff h PHE 33 N -0.39 1.25 0.04 1.39 0.04 -1.05 -0.12 116.94 118.09 1yff h PHE 33 Ca -0.03 -0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.48 1yff h PHE 33 Cb 0.96 -0.40 0.01 0.00 2.20 0.00 0.00 35.95 38.72 1yff h PHE 33 CO 0.16 0.85 -1.04 -0.07 -0.60 0.00 0.00 178.31 177.61 1yff h LEU 34 N 1.28 0.57 0.12 1.54 3.38 -1.40 -3.29 115.31 117.52 1yff h LEU 34 Ca 0.33 -0.49 -0.31 0.00 0.09 0.00 0.00 57.88 57.50 1yff h LEU 34 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1yff h LEU 34 CO -0.06 1.31 -1.53 0.28 0.09 0.00 0.00 178.44 178.54 1yff h SER 35 N 0.22 0.41 -3.73 -0.43 0.02 -1.31 -3.41 113.55 105.32 1yff h SER 35 Ca -0.10 -0.56 -0.62 0.00 -0.84 0.00 0.00 61.79 59.67 1yff h SER 35 Cb 1.69 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.70 1yff h SER 35 CO 0.18 1.47 -0.71 -0.36 -1.14 0.00 0.00 176.83 176.27 1yff s PHE 36 N -2.62 2.31 -0.60 3.45 0.40 -0.07 -5.00 117.98 115.85 1yff s PHE 36 Ca -0.09 -2.63 0.12 0.00 -0.60 0.00 0.00 56.93 53.73 1yff s PHE 36 Cb 0.07 -2.14 0.64 0.00 0.51 0.00 0.00 43.02 42.10 1yff s PHE 36 CO 0.86 -0.77 1.38 -2.30 0.70 0.00 0.00 175.22 175.09 1yff n PRO 37 N 3.42 0.08 0.21 0.24 -0.02 -1.24 -2.48 135.00 135.21 1yff n PRO 37 Ca 0.08 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1yff n PRO 37 Cb 0.34 -1.73 0.40 0.00 -0.02 0.00 0.00 33.50 32.49 1yff n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1yff h THR 38 N 0.00 0.60 0.00 3.45 1.35 -1.91 -3.09 112.91 113.31 1yff h THR 38 Ca 0.00 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1yff h THR 38 Cb 0.05 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1yff h THR 38 CO 0.00 0.25 0.00 0.71 -0.25 0.00 0.00 175.52 176.23 1yff h THR 39 N 0.00 0.00 -0.27 6.82 1.35 -1.81 -3.23 112.91 115.76 1yff h THR 39 Ca -0.00 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 1yff h THR 39 Cb 0.82 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1yff h THR 39 CO 0.03 0.00 0.09 0.11 -0.25 0.00 0.00 175.52 175.50 1yff h LYS 40 N 0.00 0.38 0.00 4.72 1.57 -1.74 -2.76 116.57 118.75 1yff h LYS 40 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1yff h LYS 40 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1yff h LYS 40 CO 0.00 0.34 0.00 0.25 -0.57 0.00 0.00 179.45 179.47 1yff n THR 41 N -4.40 1.36 0.83 -0.16 -2.24 -1.22 -0.97 114.28 107.48 1yff n THR 41 Ca 0.01 0.45 0.13 0.00 -2.27 0.00 0.00 64.05 62.36 1yff n THR 41 Cb 0.15 -1.38 0.33 0.00 -2.10 0.00 0.00 70.33 67.32 1yff n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yff n TYR 42 N -1.78 0.27 -3.15 4.78 4.01 -1.04 -4.25 117.16 116.00 1yff n TYR 42 Ca 0.01 0.08 -0.23 0.00 -0.16 0.00 0.00 57.90 57.60 1yff n TYR 42 Cb 0.08 -0.50 -0.05 0.00 -0.31 0.00 0.00 39.34 38.57 1yff n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yff n PHE 43 N -1.76 1.68 0.82 -0.72 3.01 -0.15 -4.92 117.46 115.42 1yff n PHE 43 Ca 0.05 -3.87 0.13 0.00 1.01 0.00 0.00 57.45 54.77 1yff n PHE 43 Cb 0.38 -0.45 0.52 0.00 -0.01 0.00 0.00 39.48 39.92 1yff n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1yff n PRO 44 N 0.40 0.11 -0.31 -1.08 -0.04 -1.25 -3.04 135.00 129.79 1yff n PRO 44 Ca 0.27 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 1yff n PRO 44 Cb 0.52 -1.63 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 1yff n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1yff n HIS 45 N -1.83 0.82 -4.19 0.54 1.44 -1.26 -4.94 115.22 105.81 1yff n HIS 45 Ca 0.06 -0.41 -0.30 0.00 -2.01 0.00 0.00 57.72 55.06 1yff n HIS 45 Cb 0.37 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.39 1yff n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yff s PHE 46 N -1.18 2.87 -0.30 -1.40 2.99 -1.17 -5.08 117.98 114.71 1yff s PHE 46 Ca 0.44 -0.09 -0.23 0.00 0.00 0.00 0.00 56.93 57.05 1yff s PHE 46 Cb 0.23 -1.49 -0.00 0.00 0.00 0.00 0.00 43.02 41.76 1yff s PHE 46 CO 0.31 0.45 0.74 0.34 -0.00 0.00 0.00 175.22 177.06 1yff s ASP 47 N -2.22 6.63 0.00 1.36 3.68 -1.26 -4.93 116.67 119.93 1yff s ASP 47 Ca 0.23 0.64 0.22 0.00 2.13 0.00 0.00 52.55 55.78 1yff s ASP 47 Cb -0.11 -2.39 0.50 0.00 -1.45 0.00 0.00 42.92 39.48 1yff s ASP 47 CO 0.16 -0.55 1.44 0.18 0.13 0.00 0.00 175.17 176.52 1yff n LEU 48 N 6.07 3.12 -4.79 -1.34 4.77 -1.26 -4.51 117.00 119.06 1yff n LEU 48 Ca 0.02 -1.37 -0.31 0.00 -0.03 0.00 0.00 56.01 54.32 1yff n LEU 48 Cb 0.48 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1yff n LEU 48 CO 0.48 0.69 0.71 -0.94 -1.33 0.00 0.00 177.39 177.00 1yff s SER 49 N -1.43 4.98 0.22 -1.43 1.04 -1.26 -4.97 113.70 110.85 1yff s SER 49 Ca 0.38 1.79 -0.32 0.00 0.48 0.00 0.00 55.95 58.28 1yff s SER 49 Cb 0.22 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.70 1yff s SER 49 CO 0.30 -1.72 1.72 1.57 0.98 0.00 0.00 173.24 176.09 1yff n HIS 50 N -3.09 2.77 -0.97 5.02 -0.00 -1.26 -2.49 115.22 115.21 1yff n HIS 50 Ca 0.09 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1yff n HIS 50 Cb 0.53 -2.67 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1yff n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yff n GLY 51 N 3.82 0.42 3.74 1.57 0.00 -1.26 -5.02 105.19 108.46 1yff n GLY 51 Ca 0.15 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1yff n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yff s SER 52 N -2.78 6.69 0.39 1.61 0.15 -1.04 -4.93 113.70 113.80 1yff s SER 52 Ca 0.00 2.61 0.08 0.00 0.70 0.00 0.00 55.95 59.34 1yff s SER 52 Cb 0.00 -2.62 0.81 0.00 -1.71 0.00 0.00 66.02 62.50 1yff s SER 52 CO 0.00 -0.68 1.98 0.00 1.20 0.00 0.00 173.24 175.74 1yff h ALA 53 N 5.21 1.59 -0.14 5.45 0.00 -1.91 -1.86 119.26 127.60 1yff h ALA 53 Ca -0.45 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1yff h ALA 53 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1yff h ALA 53 CO 0.78 0.31 -0.37 1.96 0.00 0.00 0.00 179.25 181.94 1yff h GLN 54 N 0.39 0.50 -0.07 0.00 4.20 -1.92 0.88 115.11 119.10 1yff h GLN 54 Ca 0.09 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 1yff h GLN 54 Cb 0.18 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1yff h GLN 54 CO -0.00 0.97 -0.27 0.28 -0.67 0.00 0.00 178.83 179.13 1yff h VAL 55 N 0.11 1.23 0.02 -0.54 2.07 -1.75 0.15 116.25 117.53 1yff h VAL 55 Ca -0.01 -1.06 -0.22 0.00 0.82 0.00 0.00 66.70 66.23 1yff h VAL 55 Cb 0.99 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1yff h VAL 55 CO 0.08 0.31 -0.96 0.11 0.02 0.00 0.00 177.57 177.14 1yff h LYS 56 N 0.11 0.32 -0.07 1.57 1.57 -1.26 -2.02 116.57 116.79 1yff h LYS 56 Ca 0.02 -0.37 -0.19 0.00 -1.87 0.00 0.00 60.65 58.24 1yff h LYS 56 Cb 0.54 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.98 1yff h LYS 56 CO 0.04 1.07 -0.68 0.78 -0.57 0.00 0.00 179.45 180.09 1yff h GLY 57 N 1.48 0.64 1.81 3.86 0.00 -0.18 -3.18 103.07 107.50 1yff h GLY 57 Ca -0.07 -1.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.10 1yff h GLY 57 CO 0.16 0.89 -0.66 0.84 0.00 0.00 0.00 176.54 177.76 1yff h HIS 58 N 0.20 0.25 -0.08 5.60 -0.00 -0.80 -3.02 115.15 117.30 1yff h HIS 58 Ca -0.07 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.17 1yff h HIS 58 Cb 1.34 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.70 1yff h HIS 58 CO 0.11 0.79 -0.10 0.78 -0.00 0.00 0.00 177.93 179.51 1yff h GLY 59 N 1.63 0.13 0.97 5.26 0.00 -1.43 -0.51 103.07 109.12 1yff h GLY 59 Ca -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 1yff h GLY 59 CO 0.10 0.07 -0.21 1.70 0.00 0.00 0.00 176.54 178.20 1yff h LYS 60 N 0.12 0.72 -0.42 4.80 3.11 -1.51 -1.39 116.57 121.99 1yff h LYS 60 Ca 0.03 -0.34 -0.06 0.00 -2.81 0.00 0.00 60.65 57.47 1yff h LYS 60 Cb 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1yff h LYS 60 CO 0.02 0.95 0.04 0.87 -2.81 0.00 0.00 179.45 178.51 1yff h LYS 61 N 0.49 0.72 -0.47 1.90 1.57 -1.30 -0.09 116.57 119.40 1yff h LYS 61 Ca 0.07 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1yff h LYS 61 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1yff h LYS 61 CO 0.06 0.77 0.06 0.28 -0.57 0.00 0.00 179.45 180.05 1yff h VAL 62 N 0.57 1.25 -0.35 0.50 2.07 -1.11 -1.86 116.25 117.32 1yff h VAL 62 Ca 0.13 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 1yff h VAL 62 Cb 0.42 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1yff h VAL 62 CO 0.01 0.33 -0.28 0.00 0.02 0.00 0.00 177.57 177.66 1yff h ALA 63 N 0.95 0.85 0.00 1.67 0.00 -1.12 -2.00 119.26 119.61 1yff h ALA 63 Ca 0.14 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1yff h ALA 63 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yff h ALA 63 CO 0.01 0.63 -0.48 -0.44 0.00 0.00 0.00 179.25 178.98 1yff h ASP 64 N 0.63 0.00 0.85 0.00 3.45 -0.91 -0.45 116.42 120.00 1yff h ASP 64 Ca 0.08 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.35 1yff h ASP 64 Cb 0.79 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.54 1yff h ASP 64 CO 0.07 0.48 -0.87 0.00 -1.57 0.00 0.00 179.24 177.34 1yff h ALA 65 N 1.52 0.57 0.00 3.45 0.00 -1.14 -1.69 119.26 121.97 1yff h ALA 65 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1yff h ALA 65 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1yff h ALA 65 CO 0.06 1.08 -0.59 -0.07 0.00 0.00 0.00 179.25 179.72 1yff h LEU 66 N 0.00 0.00 -0.29 0.00 3.38 -1.00 -1.79 115.31 115.62 1yff h LEU 66 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1yff h LEU 66 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1yff h LEU 66 CO 0.11 0.59 -0.86 0.74 0.09 0.00 0.00 178.44 179.12 1yff h THR 67 N 0.00 1.44 0.00 0.22 2.02 -0.94 -1.95 112.91 113.71 1yff h THR 67 Ca -0.01 -2.45 -0.13 0.00 0.77 0.00 0.00 66.41 64.59 1yff h THR 67 Cb 1.40 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 70.16 1yff h THR 67 CO 0.08 0.72 -0.63 -1.13 0.37 0.00 0.00 175.52 174.93 1yff h ASN 68 N 0.18 0.00 0.44 4.18 -0.73 -1.25 -2.64 115.58 115.75 1yff h ASN 68 Ca -0.05 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.94 1yff h ASN 68 Cb 1.47 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.06 1yff h ASN 68 CO 0.14 0.63 -0.77 0.00 -0.37 0.00 0.00 177.43 177.06 1yff h ALA 69 N 1.37 0.62 -0.02 1.57 0.00 -1.12 -1.53 119.26 120.16 1yff h ALA 69 Ca -0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 1yff h ALA 69 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1yff h ALA 69 CO 0.08 0.82 -0.65 0.28 0.00 0.00 0.00 179.25 179.78 1yff h VAL 70 N 0.17 1.45 -0.07 0.00 2.07 -1.29 -2.39 116.25 116.19 1yff h VAL 70 Ca -0.03 -2.19 -0.08 0.00 0.82 0.00 0.00 66.70 65.22 1yff h VAL 70 Cb 1.35 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1yff h VAL 70 CO 0.12 0.63 -0.26 0.00 0.02 0.00 0.00 177.57 178.08 1yff h ALA 71 N 1.29 0.13 -1.16 1.67 0.00 -1.31 -3.31 119.26 116.58 1yff h ALA 71 Ca -0.01 -0.41 -0.69 0.00 0.00 0.00 0.00 54.91 53.80 1yff h ALA 71 Cb 1.16 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.61 1yff h ALA 71 CO 0.09 0.14 0.32 0.72 0.00 0.00 0.00 179.25 180.52 1yff n HIS 72 N -4.48 3.14 0.27 0.00 8.25 -0.59 -4.77 115.22 117.04 1yff n HIS 72 Ca -0.08 -2.65 0.14 0.00 -0.26 0.00 0.00 57.72 54.86 1yff n HIS 72 Cb 0.46 -0.79 0.79 0.00 1.12 0.00 0.00 29.99 31.58 1yff n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yff h VAL 73 N 2.11 0.55 0.00 1.59 3.04 -1.52 -1.71 116.25 120.31 1yff h VAL 73 Ca 0.47 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1yff h VAL 73 Cb 0.50 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1yff h VAL 73 CO 1.21 0.08 -0.57 0.44 -1.01 0.00 0.00 177.57 177.73 1yff h ASP 74 N 0.00 0.00 -1.70 3.17 3.32 -1.87 -3.37 116.42 115.97 1yff h ASP 74 Ca -0.00 -0.15 -0.45 0.00 0.02 0.00 0.00 57.03 56.45 1yff h ASP 74 Cb 0.23 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.42 1yff h ASP 74 CO 0.01 0.08 -1.08 -0.67 -1.72 0.00 0.00 179.24 175.86 1yff n ASP 75 N -2.25 0.30 -0.01 6.45 4.64 -0.80 -4.98 116.55 119.90 1yff n ASP 75 Ca 0.03 -3.09 -0.08 0.00 -1.38 0.00 0.00 54.79 50.26 1yff n ASP 75 Cb 0.46 -0.23 0.08 0.00 -1.04 0.00 0.00 41.12 40.38 1yff n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1yff h MET 76 N 3.07 0.58 -0.25 -0.67 2.86 -1.52 -2.99 114.93 116.01 1yff h MET 76 Ca 0.07 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1yff h MET 76 Cb 0.98 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1yff h MET 76 CO 0.44 0.92 0.17 -1.35 1.06 0.00 0.00 176.91 178.15 1yff h PRO 77 N 0.47 0.27 0.16 -0.22 0.11 -1.93 -2.21 132.00 128.64 1yff h PRO 77 Ca 0.03 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.82 1yff h PRO 77 Cb 0.98 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.04 1yff h PRO 77 CO 0.09 0.18 -1.37 -0.97 -0.21 0.00 0.00 178.00 175.71 1yff h ASN 78 N 0.28 0.53 -0.10 -2.05 -0.73 -1.96 -3.18 115.58 108.36 1yff h ASN 78 Ca 0.10 -0.60 -0.04 0.00 1.87 0.00 0.00 56.30 57.63 1yff h ASN 78 Cb 0.06 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.47 1yff h ASN 78 CO -0.02 1.48 -0.08 0.00 -0.37 0.00 0.00 177.43 178.44 1yff h ALA 79 N 0.44 0.15 -0.79 1.57 0.00 -1.35 -3.23 119.26 116.05 1yff h ALA 79 Ca -0.19 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 1yff h ALA 79 Cb 2.04 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 19.59 1yff h ALA 79 CO 0.21 -0.04 0.43 1.28 0.00 0.00 0.00 179.25 181.14 1yff n LEU 80 N -4.68 6.04 -0.23 0.00 4.77 -0.85 -4.58 117.00 117.47 1yff n LEU 80 Ca -0.07 -3.18 -0.02 0.00 -0.03 0.00 0.00 56.01 52.71 1yff n LEU 80 Cb 0.30 -0.77 0.18 0.00 -2.33 0.00 0.00 43.42 40.81 1yff n LEU 80 CO 0.37 0.88 1.15 -1.28 -1.33 0.00 0.00 177.39 177.18 1yff h SER 81 N 1.57 0.93 -0.11 -1.43 0.87 -1.57 -0.12 113.55 113.69 1yff h SER 81 Ca 0.42 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.74 1yff h SER 81 Cb 2.45 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 64.17 1yff h SER 81 CO 0.84 0.75 -0.49 0.00 -0.53 0.00 0.00 176.83 177.41 1yff h ALA 82 N 1.40 0.67 -0.04 6.23 0.00 -1.86 -2.98 119.26 122.68 1yff h ALA 82 Ca 0.26 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1yff h ALA 82 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yff h ALA 82 CO -0.04 0.68 -0.60 -0.07 0.00 0.00 0.00 179.25 179.21 1yff h LEU 83 N 0.53 0.17 -0.47 0.00 3.38 -1.77 -2.56 115.31 114.59 1yff h LEU 83 Ca 0.02 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1yff h LEU 83 Cb 1.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1yff h LEU 83 CO 0.10 0.73 0.03 0.28 0.09 0.00 0.00 178.44 179.67 1yff h SER 84 N 0.11 0.78 -0.62 -0.43 0.02 -0.97 -1.12 113.55 111.33 1yff h SER 84 Ca -0.01 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1yff h SER 84 Cb 1.09 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1yff h SER 84 CO 0.09 0.88 0.14 0.44 -1.14 0.00 0.00 176.83 177.24 1yff h ASP 85 N 0.66 0.96 0.18 3.07 3.45 -1.48 -1.29 116.42 121.97 1yff h ASP 85 Ca 0.13 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 1yff h ASP 85 Cb 0.47 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1yff h ASP 85 CO 0.02 0.94 -0.09 0.25 -1.57 0.00 0.00 179.24 178.79 1yff h LEU 86 N 0.97 -0.20 -0.53 1.55 7.12 -1.24 -2.28 115.31 120.70 1yff h LEU 86 Ca 0.20 -0.31 -0.16 0.00 0.13 0.00 0.00 57.88 57.75 1yff h LEU 86 Cb 0.36 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1yff h LEU 86 CO 0.00 0.24 -0.52 0.45 -0.13 0.00 0.00 178.44 178.49 1yff h HIS 87 N -0.71 0.73 0.07 1.25 3.86 -1.20 -0.20 115.15 118.94 1yff h HIS 87 Ca -0.02 -0.25 -0.28 0.00 -1.16 0.00 0.00 60.37 58.66 1yff h HIS 87 Cb 0.50 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1yff h HIS 87 CO 0.06 0.98 -1.50 0.00 0.86 0.00 0.00 177.93 178.33 1yff h ALA 88 N 0.97 0.28 0.00 2.45 0.00 -1.31 -1.10 119.26 120.56 1yff h ALA 88 Ca 0.02 -1.21 -0.00 0.00 0.00 0.00 0.00 54.91 53.71 1yff h ALA 88 Cb 1.06 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1yff h ALA 88 CO 0.10 0.91 -0.09 0.45 0.00 0.00 0.00 179.25 180.62 1yff h HIS 89 N -0.47 0.00 0.17 0.00 3.86 -1.57 -3.30 115.15 113.84 1yff h HIS 89 Ca -0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 1yff h HIS 89 Cb 1.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.12 1yff h HIS 89 CO 0.10 0.14 -0.08 -0.22 0.86 0.00 0.00 177.93 178.73 1yff h LYS 90 N -1.00 -0.22 0.00 2.45 3.64 -1.48 -3.38 116.57 116.58 1yff h LYS 90 Ca -0.01 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1yff h LYS 90 Cb 0.20 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1yff h LYS 90 CO -0.00 -0.01 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.60 1yff h LEU 91 N -1.03 0.00 -2.81 5.20 3.38 -1.20 -3.49 115.31 115.37 1yff h LEU 91 Ca -0.02 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.52 1yff h LEU 91 Cb 0.32 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.14 1yff h LEU 91 CO 0.04 0.50 -0.91 0.54 0.09 0.00 0.00 178.44 178.69 1yff n ARG 92 N -3.33 -2.03 -2.68 1.13 1.74 -0.91 -4.94 116.66 105.65 1yff n ARG 92 Ca 0.01 0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 57.18 1yff n ARG 92 Cb 0.68 -4.43 -0.04 0.00 -1.02 0.00 0.00 32.46 27.65 1yff n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yff s VAL 93 N -3.55 4.57 0.07 1.55 1.01 -0.46 -5.01 120.40 118.58 1yff s VAL 93 Ca 0.35 1.98 -0.31 0.00 0.00 0.00 0.00 61.98 64.01 1yff s VAL 93 Cb -0.12 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 1yff s VAL 93 CO 0.85 0.23 1.56 -0.62 0.00 0.00 0.00 175.10 177.12 1yff s ASP 94 N 0.51 6.67 0.62 3.32 -1.08 -1.26 -4.89 116.67 120.57 1yff s ASP 94 Ca 0.50 2.41 0.28 0.00 -0.52 0.00 0.00 52.55 55.22 1yff s ASP 94 Cb -0.23 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.14 1yff s ASP 94 CO 0.29 -0.82 1.87 -0.65 0.52 0.00 0.00 175.17 176.38 1yff h PRO 95 N 7.88 0.00 -0.30 4.34 0.11 -1.98 -0.99 132.00 141.06 1yff h PRO 95 Ca -0.41 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1yff h PRO 95 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1yff h PRO 95 CO 0.92 0.00 -0.33 0.28 -0.21 0.00 0.00 178.00 178.66 1yff h VAL 96 N 0.00 1.28 0.00 3.15 2.07 -2.01 -2.87 116.25 117.87 1yff h VAL 96 Ca 0.12 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1yff h VAL 96 Cb 1.02 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1yff h VAL 96 CO -0.00 0.47 -0.01 0.78 0.02 0.00 0.00 177.57 178.83 1yff h ASN 97 N 0.55 0.00 0.80 0.57 -0.26 -1.56 -1.17 115.58 114.52 1yff h ASN 97 Ca 0.06 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.56 1yff h ASN 97 Cb 0.83 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.07 1yff h ASN 97 CO 0.07 0.01 -1.15 -0.26 -1.06 0.00 0.00 177.43 175.04 1yff h PHE 98 N 0.00 0.23 0.00 1.19 0.04 -1.63 -2.11 116.94 114.65 1yff h PHE 98 Ca -0.00 -0.16 -0.10 0.00 2.80 0.00 0.00 57.97 60.50 1yff h PHE 98 Cb 0.18 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1yff h PHE 98 CO 0.00 1.14 -0.49 0.87 -0.60 0.00 0.00 178.31 179.23 1yff h LYS 99 N 0.03 0.00 0.08 1.51 1.57 -1.23 -0.87 116.57 117.66 1yff h LYS 99 Ca -0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 1yff h LYS 99 Cb 1.87 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.21 1yff h LYS 99 CO 0.16 0.49 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.56 1yff h LEU 100 N 0.00 0.66 -0.65 2.94 3.38 -1.45 -2.07 115.31 118.12 1yff h LEU 100 Ca -0.00 -0.83 -0.14 0.00 0.09 0.00 0.00 57.88 57.00 1yff h LEU 100 Cb 0.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1yff h LEU 100 CO 0.06 1.42 -0.44 0.25 0.09 0.00 0.00 178.44 179.82 1yff h LEU 101 N -0.01 0.58 -0.92 1.67 5.85 -1.32 -1.83 115.31 119.32 1yff h LEU 101 Ca -0.13 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1yff h LEU 101 Cb 1.62 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 1yff h LEU 101 CO 0.17 0.94 0.37 0.28 -0.34 0.00 0.00 178.44 179.87 1yff h SER 102 N 0.44 1.04 -0.17 1.25 0.02 -1.18 0.53 113.55 115.49 1yff h SER 102 Ca 0.03 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1yff h SER 102 Cb 0.95 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1yff h SER 102 CO 0.08 0.89 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.91 1yff h HIS 103 N 1.14 0.33 -0.36 3.45 -0.00 -1.20 -2.37 115.15 116.14 1yff h HIS 103 Ca 0.27 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 1yff h HIS 103 Cb 0.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1yff h HIS 103 CO 0.01 0.53 0.12 0.00 -0.00 0.00 0.00 177.93 178.60 1yff h LEU 105 N 0.50 0.89 -0.63 0.00 3.38 -0.76 -1.20 115.31 117.49 1yff h LEU 105 Ca 0.12 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1yff h LEU 105 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1yff h LEU 105 CO -0.01 1.03 -0.52 -0.07 0.09 0.00 0.00 178.44 178.97 1yff h LEU 106 N 0.79 0.48 -0.57 1.67 3.38 -0.76 -0.77 115.31 119.54 1yff h LEU 106 Ca 0.12 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1yff h LEU 106 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1yff h LEU 106 CO 0.05 0.91 -0.29 0.58 0.09 0.00 0.00 178.44 179.79 1yff h VAL 107 N 0.35 1.28 -0.41 1.22 2.07 -0.94 -0.83 116.25 118.97 1yff h VAL 107 Ca 0.01 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 65.98 1yff h VAL 107 Cb 1.02 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1yff h VAL 107 CO 0.09 0.48 -0.17 0.74 0.02 0.00 0.00 177.57 178.73 1yff h THR 108 N 0.71 1.28 0.00 2.57 2.02 -1.00 -0.95 112.91 117.54 1yff h THR 108 Ca 0.08 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.88 1yff h THR 108 Cb 0.83 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1yff h THR 108 CO 0.07 0.44 -0.37 -0.07 0.37 0.00 0.00 175.52 175.96 1yff h LEU 109 N 0.67 0.00 -0.06 2.58 3.38 -1.00 -2.52 115.31 118.35 1yff h LEU 109 Ca 0.10 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 1yff h LEU 109 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1yff h LEU 109 CO 0.06 0.37 -1.05 0.00 0.09 0.00 0.00 178.44 177.90 1yff h ALA 110 N 1.63 0.23 0.00 1.53 0.00 -0.90 -2.04 119.26 119.71 1yff h ALA 110 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1yff h ALA 110 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1yff h ALA 110 CO 0.05 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.09 1yff n ALA 111 N -2.58 2.42 0.00 0.00 0.00 -0.38 -4.10 120.51 115.87 1yff n ALA 111 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1yff n ALA 111 Cb 0.89 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1yff n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yff n HIS 112 N -1.37 0.00 -3.49 0.00 -0.00 -0.97 -4.92 115.22 104.47 1yff n HIS 112 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.57 1yff n HIS 112 Cb 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.17 1yff n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yff n LEU 113 N -1.70 1.91 0.18 2.41 4.77 -0.77 -4.97 117.00 118.83 1yff n LEU 113 Ca 0.00 -5.00 0.14 0.00 -0.03 0.00 0.00 56.01 51.12 1yff n LEU 113 Cb 0.36 -0.15 0.50 0.00 -2.33 0.00 0.00 43.42 41.80 1yff n LEU 113 CO 0.00 1.94 0.90 -0.65 -1.33 0.00 0.00 177.39 178.25 1yff h PRO 114 N 4.75 0.00 0.00 3.23 0.11 -1.79 -2.03 132.00 136.27 1yff h PRO 114 Ca 0.17 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 1yff h PRO 114 Cb 0.78 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 1yff h PRO 114 CO 0.63 0.00 -1.01 0.00 -0.21 0.00 0.00 178.00 177.41 1yff h ALA 115 N 2.20 0.36 0.00 -0.75 0.00 -1.94 -3.31 119.26 115.81 1yff h ALA 115 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 1yff h ALA 115 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1yff h ALA 115 CO 0.00 1.25 -1.41 0.39 0.00 0.00 0.00 179.25 179.49 1yff n GLU 116 N -3.35 0.63 -1.64 0.00 4.71 -1.13 -4.58 120.64 115.28 1yff n GLU 116 Ca -0.00 0.10 -0.40 0.00 -0.01 0.00 0.00 57.16 56.85 1yff n GLU 116 Cb 0.94 -1.75 -0.02 0.00 -1.01 0.00 0.00 31.44 29.60 1yff n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1yff n PHE 117 N -2.69 2.67 -2.43 -0.32 7.35 -0.78 -4.72 117.46 116.54 1yff n PHE 117 Ca -0.06 -2.98 -0.29 0.00 -0.76 0.00 0.00 57.45 53.35 1yff n PHE 117 Cb 0.70 -2.28 -0.01 0.00 0.35 0.00 0.00 39.48 38.24 1yff n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yff s THR 118 N 1.27 4.79 0.45 -2.13 -4.23 -1.26 -4.82 115.64 109.72 1yff s THR 118 Ca 0.60 0.59 0.23 0.00 -1.18 0.00 0.00 61.69 61.93 1yff s THR 118 Cb 0.17 -3.83 0.43 0.00 1.34 0.00 0.00 72.50 70.61 1yff s THR 118 CO -0.07 -0.86 1.83 -0.65 -0.54 0.00 0.00 174.62 174.33 1yff h PRO 119 N 0.34 0.26 -0.21 3.99 0.11 -1.99 0.12 132.00 134.61 1yff h PRO 119 Ca -0.46 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 1yff h PRO 119 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1yff h PRO 119 CO 0.62 0.17 -0.65 0.00 -0.21 0.00 0.00 178.00 177.93 1yff h ALA 120 N 1.58 0.44 -0.02 -0.75 0.00 -1.96 -2.64 119.26 115.92 1yff h ALA 120 Ca 0.51 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1yff h ALA 120 Cb 1.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1yff h ALA 120 CO -0.16 0.69 -0.78 0.28 0.00 0.00 0.00 179.25 179.28 1yff h VAL 121 N 0.57 1.48 -0.38 0.00 2.07 -1.54 -2.05 116.25 116.40 1yff h VAL 121 Ca -0.02 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1yff h VAL 121 Cb 1.26 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1yff h VAL 121 CO 0.14 0.71 0.24 -0.74 0.02 0.00 0.00 177.57 177.94 1yff h HIS 122 N 0.10 0.49 -0.66 1.57 6.17 -0.98 0.38 115.15 122.22 1yff h HIS 122 Ca -0.03 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.00 1yff h HIS 122 Cb 1.37 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 31.11 1yff h HIS 122 CO 0.02 0.32 0.17 0.00 0.71 0.00 0.00 177.93 179.15 1yff h ALA 123 N 1.12 0.87 -0.19 5.26 0.00 -1.38 -1.32 119.26 123.62 1yff h ALA 123 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1yff h ALA 123 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1yff h ALA 123 CO -0.03 0.58 0.02 0.77 0.00 0.00 0.00 179.25 180.59 1yff h SER 124 N 0.98 0.32 -0.11 0.00 0.02 -0.98 -2.08 113.55 111.69 1yff h SER 124 Ca 0.21 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1yff h SER 124 Cb 0.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1yff h SER 124 CO 0.00 0.51 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.91 1yff h LEU 125 N 0.11 0.53 -0.34 5.07 3.38 -0.87 -1.18 115.31 122.00 1yff h LEU 125 Ca 0.06 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1yff h LEU 125 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1yff h LEU 125 CO 0.01 0.76 0.02 -0.78 0.09 0.00 0.00 178.44 178.53 1yff h ASP 126 N 0.47 0.58 0.33 -0.43 1.82 -1.13 -0.89 116.42 117.17 1yff h ASP 126 Ca 0.07 -0.29 -0.09 0.00 -0.39 0.00 0.00 57.03 56.33 1yff h ASP 126 Cb 0.65 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1yff h ASP 126 CO 0.05 0.73 -0.38 0.11 -1.61 0.00 0.00 179.24 178.14 1yff h LYS 127 N 0.41 0.07 -0.04 0.28 1.57 -1.22 -0.66 116.57 116.99 1yff h LYS 127 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1yff h LYS 127 Cb 0.42 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1yff h LYS 127 CO 0.01 0.44 -0.04 0.35 -0.57 0.00 0.00 179.45 179.65 1yff h PHE 128 N 0.06 0.12 0.00 -1.35 3.57 -0.97 -2.15 116.94 116.22 1yff h PHE 128 Ca 0.00 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1yff h PHE 128 Cb 0.70 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1yff h PHE 128 CO 0.00 0.57 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.28 1yff h LEU 129 N -0.37 0.00 -0.52 0.59 3.38 -0.98 -0.92 115.31 116.49 1yff h LEU 129 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1yff h LEU 129 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1yff h LEU 129 CO 0.01 0.30 -0.68 0.00 0.09 0.00 0.00 178.44 178.16 1yff h ALA 130 N 1.70 0.72 -0.26 1.53 0.00 -1.12 -1.28 119.26 120.55 1yff h ALA 130 Ca -0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 1yff h ALA 130 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1yff h ALA 130 CO 0.04 0.77 -0.44 0.77 0.00 0.00 0.00 179.25 180.39 1yff h SER 131 N 0.20 0.84 -0.28 0.00 0.02 -0.67 -1.38 113.55 112.28 1yff h SER 131 Ca -0.02 -0.53 -0.09 0.00 -0.84 0.00 0.00 61.79 60.31 1yff h SER 131 Cb 1.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1yff h SER 131 CO 0.11 1.21 -0.14 0.58 -1.14 0.00 0.00 176.83 177.44 1yff h VAL 132 N 0.51 1.26 -0.47 2.27 2.07 -1.14 -2.58 116.25 118.16 1yff h VAL 132 Ca 0.02 -1.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 1yff h VAL 132 Cb 1.04 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1yff h VAL 132 CO 0.10 0.40 -0.10 0.28 0.02 0.00 0.00 177.57 178.27 1yff h SER 133 N 0.64 0.84 -0.44 0.57 0.02 -1.06 -2.02 113.55 112.09 1yff h SER 133 Ca 0.11 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1yff h SER 133 Cb 0.61 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1yff h SER 133 CO 0.04 0.96 -0.01 0.74 -1.14 0.00 0.00 176.83 177.42 1yff h THR 134 N 0.76 1.26 -0.15 -2.27 2.02 -1.03 -2.31 112.91 111.19 1yff h THR 134 Ca 0.13 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1yff h THR 134 Cb 0.60 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1yff h THR 134 CO 0.04 0.36 0.06 0.58 0.37 0.00 0.00 175.52 176.93 1yff h VAL 135 N 0.63 1.15 0.00 3.16 2.07 -1.33 -2.32 116.25 119.62 1yff h VAL 135 Ca 0.12 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1yff h VAL 135 Cb 0.50 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1yff h VAL 135 CO 0.02 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 1yff h LEU 136 N 0.09 0.00 -0.98 2.57 3.38 -1.29 -2.64 115.31 116.44 1yff h LEU 136 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yff h LEU 136 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1yff h LEU 136 CO -0.00 0.00 -0.46 0.35 0.09 0.00 0.00 178.44 178.41 1yff n THR 137 N -2.35 0.00 -2.62 0.22 -2.24 -0.88 -3.70 114.28 102.72 1yff n THR 137 Ca 0.02 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1yff n THR 137 Cb 0.26 1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 1yff n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1yff s SER 138 N -2.40 6.91 -0.29 3.42 0.01 -0.89 -4.94 113.70 115.53 1yff s SER 138 Ca 0.18 1.06 -0.00 0.00 1.31 0.00 0.00 55.95 58.50 1yff s SER 138 Cb 0.17 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.91 1yff s SER 138 CO 0.55 -0.90 -0.04 -1.59 0.41 0.00 0.00 173.24 171.67 1yff s LYS 139 N 3.70 2.37 -0.48 12.44 -2.85 -1.26 -4.76 119.74 128.90 1yff s LYS 139 Ca 0.46 -1.29 -0.06 0.00 -1.00 0.00 0.00 55.97 54.08 1yff s LYS 139 Cb -0.13 -3.08 0.13 0.00 -2.06 0.00 0.00 37.83 32.69 1yff s LYS 139 CO 0.16 -0.60 0.33 1.52 0.10 0.00 0.00 175.35 176.85 1yff s TYR 140 N 1.20 3.49 -0.90 1.78 -0.85 -1.26 -5.13 117.35 115.68 1yff s TYR 140 Ca -0.06 -2.17 0.00 0.00 -0.52 0.00 0.00 57.07 54.32 1yff s TYR 140 Cb -0.20 -3.39 0.00 0.00 0.38 0.00 0.00 41.96 38.76 1yff s TYR 140 CO -0.02 -0.97 0.22 -2.13 -1.52 0.00 0.00 175.55 171.13