#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbs s LEU 2 N 0.00 4.39 0.00 6.55 1.43 -1.26 -5.10 118.68 124.69 1hbs s LEU 2 Ca 0.00 0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 1hbs s LEU 2 Cb 0.00 -2.33 0.19 0.00 0.03 0.00 0.00 46.19 44.09 1hbs s LEU 2 CO 0.00 0.35 1.21 -1.54 0.23 0.00 0.00 176.35 176.60 1hbs n SER 3 N 1.59 0.62 -0.04 2.29 3.41 -1.26 -4.83 113.62 115.40 1hbs n SER 3 Ca -0.16 -1.76 -0.15 0.00 -0.26 0.00 0.00 58.87 56.54 1hbs n SER 3 Cb 0.54 -0.88 -0.12 0.00 -0.26 0.00 0.00 64.21 63.49 1hbs n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1hbs h PRO 4 N 0.00 0.06 -1.45 4.33 0.13 -2.00 -0.87 132.00 132.20 1hbs h PRO 4 Ca -0.40 -0.08 0.48 0.00 -0.87 0.00 0.00 66.00 65.13 1hbs h PRO 4 Cb 1.22 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 1hbs h PRO 4 CO 0.33 0.91 0.96 0.00 -0.23 0.00 0.00 178.00 179.97 1hbs h ALA 5 N 0.16 2.97 0.76 -0.56 0.00 -2.01 0.42 119.26 120.99 1hbs h ALA 5 Ca -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1hbs h ALA 5 Cb 0.96 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1hbs h ALA 5 CO 0.02 -1.62 -0.36 -0.44 0.00 0.00 0.00 179.25 176.84 1hbs h ASP 6 N 0.03 -0.86 -0.92 0.00 3.32 -1.52 -2.98 116.42 113.48 1hbs h ASP 6 Ca 0.87 0.01 0.11 0.00 0.02 0.00 0.00 57.03 58.05 1hbs h ASP 6 Cb 2.90 0.22 -0.13 0.00 0.22 0.00 0.00 39.33 42.55 1hbs h ASP 6 CO -0.39 -0.54 -0.45 0.29 -1.72 0.00 0.00 179.24 176.44 1hbs n LYS 7 N -5.48 -0.30 -0.10 3.56 5.02 0.13 -1.72 118.16 119.27 1hbs n LYS 7 Ca -0.14 1.40 -0.05 0.00 -2.02 0.00 0.00 58.31 57.51 1hbs n LYS 7 Cb 0.41 -2.07 0.15 0.00 -0.02 0.00 0.00 35.03 33.50 1hbs n LYS 7 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1hbs h THR 8 N 0.00 1.25 -0.53 -0.18 1.35 -0.13 -2.99 112.91 111.69 1hbs h THR 8 Ca 0.24 -1.07 0.06 0.00 -0.55 0.00 0.00 66.41 65.09 1hbs h THR 8 Cb 0.47 0.95 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 1hbs h THR 8 CO -0.89 0.37 0.23 0.78 -0.25 0.00 0.00 175.52 175.76 1hbs h ASN 9 N 0.72 0.29 0.04 5.36 4.21 -1.50 -3.08 115.58 121.63 1hbs h ASN 9 Ca 0.13 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.69 1hbs h ASN 9 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1hbs h ASN 9 CO 0.03 0.19 -0.02 0.58 -1.29 0.00 0.00 177.43 176.92 1hbs h VAL 10 N 0.44 1.18 0.00 2.81 2.07 -1.34 -3.13 116.25 118.28 1hbs h VAL 10 Ca 0.25 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1hbs h VAL 10 Cb 0.22 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1hbs h VAL 10 CO -0.21 0.18 -0.16 0.11 0.02 0.00 0.00 177.57 177.52 1hbs h LYS 11 N -0.38 0.00 -0.11 1.57 6.56 -1.43 -1.99 116.57 120.79 1hbs h LYS 11 Ca -0.01 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 1hbs h LYS 11 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1hbs h LYS 11 CO 0.01 0.16 -0.21 0.00 -2.06 0.00 0.00 179.45 177.35 1hbs h ALA 12 N 1.84 0.17 0.11 3.86 0.00 -1.60 2.91 119.26 126.56 1hbs h ALA 12 Ca -0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 1hbs h ALA 12 Cb 0.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1hbs h ALA 12 CO 0.02 0.12 -1.27 0.00 0.00 0.00 0.00 179.25 178.11 1hbs h ALA 13 N 0.53 0.13 -0.31 0.00 0.00 -1.68 0.31 119.26 118.24 1hbs h ALA 13 Ca 0.01 -1.01 -0.07 0.00 0.00 0.00 0.00 54.91 53.84 1hbs h ALA 13 Cb 0.79 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1hbs h ALA 13 CO 0.05 0.73 -0.09 2.35 0.00 0.00 0.00 179.25 182.28 1hbs h TRP 14 N -0.36 0.54 0.00 0.00 -0.00 -1.39 -2.14 115.95 112.60 1hbs h TRP 14 Ca -0.27 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.54 1hbs h TRP 14 Cb 1.71 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 30.72 1hbs h TRP 14 CO 0.14 0.59 0.00 0.41 -0.00 0.00 0.00 178.44 179.58 1hbs n GLY 15 N -0.69 -2.22 0.00 2.65 0.00 0.97 -2.71 105.19 103.19 1hbs n GLY 15 Ca 0.01 0.44 0.06 0.00 0.00 0.00 0.00 46.02 46.52 1hbs n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hbs n LYS 16 N -2.13 0.28 -0.01 1.61 5.02 0.04 -2.91 118.16 120.06 1hbs n LYS 16 Ca 0.00 0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 1hbs n LYS 16 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 1hbs n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hbs h VAL 17 N 0.00 1.05 0.00 -0.18 2.07 -1.53 -3.43 116.25 114.23 1hbs h VAL 17 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1hbs h VAL 17 Cb 0.05 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1hbs h VAL 17 CO 0.00 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1hbs n GLY 18 N 1.71 0.00 0.09 2.17 0.00 -1.15 0.31 105.19 108.32 1hbs n GLY 18 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1hbs n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbs h ALA 19 N 0.00 0.61 -0.44 4.61 0.00 -1.87 -3.37 119.26 118.79 1hbs h ALA 19 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1hbs h ALA 19 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hbs h ALA 19 CO 0.00 1.14 0.00 0.72 0.00 0.00 0.00 179.25 181.11 1hbs n HIS 20 N -3.13 0.78 -0.34 0.00 8.25 0.90 -3.93 115.22 117.74 1hbs n HIS 20 Ca -0.07 -0.34 -0.05 0.00 -0.26 0.00 0.00 57.72 57.01 1hbs n HIS 20 Cb 0.91 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.92 1hbs n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hbs n ALA 21 N 0.76 -0.29 -0.29 -1.41 0.00 -1.24 0.78 120.51 118.82 1hbs n ALA 21 Ca 0.16 0.80 -0.04 0.00 0.00 0.00 0.00 53.44 54.36 1hbs n ALA 21 Cb 0.49 -0.27 0.01 0.00 0.00 0.00 0.00 19.45 19.69 1hbs n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hbs h GLY 22 N 0.00 -0.11 0.99 0.00 0.00 -1.84 -0.72 103.07 101.38 1hbs h GLY 22 Ca 0.23 0.50 -0.03 0.00 0.00 0.00 0.00 47.33 48.03 1hbs h GLY 22 CO -0.83 -0.19 0.24 -2.09 0.00 0.00 0.00 176.54 173.67 1hbs h GLU 23 N -0.10 0.88 -0.53 4.80 4.81 2.90 -3.20 114.58 124.14 1hbs h GLU 23 Ca 0.27 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1hbs h GLU 23 Cb 0.57 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1hbs h GLU 23 CO -0.82 0.75 -0.05 1.88 -0.73 0.00 0.00 179.01 180.03 1hbs h TYR 24 N 0.81 1.08 -0.06 0.92 0.99 -1.57 -3.00 116.97 116.13 1hbs h TYR 24 Ca 0.20 -0.21 0.03 0.00 2.00 0.00 0.00 58.73 60.74 1hbs h TYR 24 Cb 0.19 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 37.62 1hbs h TYR 24 CO 0.01 1.00 -0.09 0.78 -0.00 0.00 0.00 178.16 179.85 1hbs h GLY 25 N 0.85 -0.05 1.75 3.88 0.00 -1.11 -2.46 103.07 105.92 1hbs h GLY 25 Ca 0.14 0.11 -0.24 0.00 0.00 0.00 0.00 47.33 47.34 1hbs h GLY 25 CO 0.04 -0.10 -1.17 0.00 0.00 0.00 0.00 176.54 175.30 1hbs h ALA 26 N 0.91 0.31 0.00 3.60 0.00 -1.59 -3.29 119.26 119.19 1hbs h ALA 26 Ca 0.06 -0.97 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 1hbs h ALA 26 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1hbs h ALA 26 CO -0.14 1.20 -0.74 1.05 0.00 0.00 0.00 179.25 180.62 1hbs h GLU 27 N 0.03 0.00 0.00 0.00 4.11 -1.52 -2.08 114.58 115.12 1hbs h GLU 27 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1hbs h GLU 27 Cb 1.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1hbs h GLU 27 CO 0.15 0.74 0.00 0.00 0.07 0.00 0.00 179.01 179.97 1hbs n ALA 28 N -2.36 0.00 -0.27 1.06 0.00 -0.93 0.34 120.51 118.36 1hbs n ALA 28 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1hbs n ALA 28 Cb 0.75 0.14 0.43 0.00 0.00 0.00 0.00 19.45 20.78 1hbs n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hbs h LEU 29 N 0.00 0.55 -0.08 0.00 7.12 -1.67 0.47 115.31 121.71 1hbs h LEU 29 Ca 0.00 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.04 1hbs h LEU 29 Cb 0.00 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.07 1hbs h LEU 29 CO 0.00 0.24 -0.01 -0.08 -0.13 0.00 0.00 178.44 178.46 1hbs h GLU 30 N 0.56 0.15 0.00 1.25 4.81 -0.47 -0.33 114.58 120.56 1hbs h GLU 30 Ca 0.48 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1hbs h GLU 30 Cb 0.96 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1hbs h GLU 30 CO -0.22 0.44 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.25 1hbs h ARG 31 N -0.16 0.00 -0.25 1.92 2.43 1.01 -3.15 114.38 116.17 1hbs h ARG 31 Ca 0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1hbs h ARG 31 Cb 0.38 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1hbs h ARG 31 CO 0.01 0.17 -0.31 0.52 -1.51 0.00 0.00 179.97 178.85 1hbs h MET 32 N 0.00 -0.19 0.20 0.20 2.86 0.14 -3.26 114.93 114.87 1hbs h MET 32 Ca -0.00 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1hbs h MET 32 Cb 0.40 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1hbs h MET 32 CO 0.02 -0.13 -0.47 0.74 1.06 0.00 0.00 176.91 178.13 1hbs h PHE 33 N -0.20 -1.33 -0.04 -0.22 0.04 -1.68 -1.40 116.94 112.11 1hbs h PHE 33 Ca 0.04 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.63 1hbs h PHE 33 Cb 0.32 0.56 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1hbs h PHE 33 CO -0.70 -0.57 -0.85 -0.07 -0.60 0.00 0.00 178.31 175.52 1hbs h LEU 34 N -0.76 0.57 0.00 1.54 4.07 -1.59 -3.24 115.31 115.90 1hbs h LEU 34 Ca -0.00 -0.42 -0.07 0.00 0.08 0.00 0.00 57.88 57.47 1hbs h LEU 34 Cb 0.74 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1hbs h LEU 34 CO -0.22 1.20 -1.06 -1.28 -1.08 0.00 0.00 178.44 176.00 1hbs h SER 35 N 0.29 0.00 -1.64 -0.43 0.87 -1.60 -3.42 113.55 107.62 1hbs h SER 35 Ca -0.06 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.01 1hbs h SER 35 Cb 1.47 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 63.08 1hbs h SER 35 CO 0.15 0.26 -1.01 0.49 -0.53 0.00 0.00 176.83 176.19 1hbs n PHE 36 N -2.83 -0.83 0.26 2.24 3.01 -0.53 -5.03 117.46 113.76 1hbs n PHE 36 Ca -0.03 -3.28 0.10 0.00 1.01 0.00 0.00 57.45 55.25 1hbs n PHE 36 Cb 0.67 -0.01 0.54 0.00 -0.01 0.00 0.00 39.48 40.68 1hbs n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1hbs h PRO 37 N 3.84 0.00 0.00 -1.08 0.11 -1.72 -2.05 132.00 131.10 1hbs h PRO 37 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1hbs h PRO 37 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1hbs h PRO 37 CO 0.44 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.18 1hbs h THR 38 N 0.00 0.00 0.00 -1.15 1.03 -1.93 -3.12 112.91 107.73 1hbs h THR 38 Ca 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1hbs h THR 38 Cb 0.75 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.79 1hbs h THR 38 CO 0.00 0.00 -0.38 0.35 -0.01 0.00 0.00 175.52 175.48 1hbs n THR 39 N -3.06 0.20 0.20 0.00 -2.24 -0.77 -4.25 114.28 104.36 1hbs n THR 39 Ca 0.04 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 1hbs n THR 39 Cb 0.53 -0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1hbs n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1hbs h LYS 40 N 0.00 -0.82 -1.36 -0.78 1.57 -1.74 -0.72 116.57 112.72 1hbs h LYS 40 Ca 0.00 0.06 0.43 0.00 -1.87 0.00 0.00 60.65 59.26 1hbs h LYS 40 Cb 0.62 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 33.00 1hbs h LYS 40 CO 0.00 -0.54 0.90 1.79 -0.57 0.00 0.00 179.45 181.03 1hbs h THR 41 N -0.85 0.17 0.00 -0.16 1.35 -1.81 1.21 112.91 112.82 1hbs h THR 41 Ca -0.03 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1hbs h THR 41 Cb 0.79 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1hbs h THR 41 CO -0.18 0.02 0.00 -1.22 -0.25 0.00 0.00 175.52 173.89 1hbs n TYR 42 N -4.55 0.00 -3.09 4.73 4.01 -0.28 -4.44 117.16 113.54 1hbs n TYR 42 Ca 0.36 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.85 1hbs n TYR 42 Cb 1.43 -0.37 -0.05 0.00 -0.31 0.00 0.00 39.34 40.05 1hbs n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hbs n PHE 43 N -1.37 3.01 -0.09 -0.72 3.01 0.42 -4.86 117.46 116.86 1hbs n PHE 43 Ca 0.10 -3.97 -0.06 0.00 1.01 0.00 0.00 57.45 54.53 1hbs n PHE 43 Cb 0.25 -0.48 0.12 0.00 -0.01 0.00 0.00 39.48 39.36 1hbs n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1hbs h PRO 44 N 3.25 0.76 0.00 -1.08 0.11 -1.78 0.16 132.00 133.43 1hbs h PRO 44 Ca 0.13 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1hbs h PRO 44 Cb 0.64 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1hbs h PRO 44 CO 0.74 0.87 0.00 1.12 -0.21 0.00 0.00 178.00 180.52 1hbs h HIS 45 N 0.68 0.00 -1.54 0.65 2.07 -1.96 -3.44 115.15 111.62 1hbs h HIS 45 Ca 0.11 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.15 1hbs h HIS 45 Cb 0.64 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.60 1hbs h HIS 45 CO 0.03 0.00 -0.36 -0.06 -3.07 0.00 0.00 177.93 174.48 1hbs s PHE 46 N -3.43 2.76 -0.31 6.12 2.99 0.55 -5.03 117.98 121.63 1hbs s PHE 46 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 56.93 56.55 1hbs s PHE 46 Cb 0.09 -2.18 0.08 0.00 0.00 0.00 0.00 43.02 41.02 1hbs s PHE 46 CO 0.43 -0.16 -0.02 0.34 -0.00 0.00 0.00 175.22 175.81 1hbs s ASP 47 N -4.17 4.63 0.00 1.36 2.15 -1.26 -4.96 116.67 114.42 1hbs s ASP 47 Ca 0.49 -1.83 0.30 0.00 0.43 0.00 0.00 52.55 51.94 1hbs s ASP 47 Cb -0.05 -1.60 1.69 0.00 -0.30 0.00 0.00 42.92 42.66 1hbs s ASP 47 CO 0.29 -0.30 2.08 0.18 -0.17 0.00 0.00 175.17 177.25 1hbs n LEU 48 N 4.33 0.00 -4.62 -1.34 4.77 -1.26 -4.22 117.00 114.65 1hbs n LEU 48 Ca -0.04 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1hbs n LEU 48 Cb 0.42 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1hbs n LEU 48 CO 0.22 -0.01 0.42 -0.94 -1.33 0.00 0.00 177.39 175.75 1hbs s SER 49 N -2.17 6.59 -0.87 -1.43 1.04 -1.26 -4.87 113.70 110.73 1hbs s SER 49 Ca 0.40 0.70 -0.24 0.00 0.48 0.00 0.00 55.95 57.29 1hbs s SER 49 Cb 0.20 -2.35 -0.18 0.00 0.10 0.00 0.00 66.02 63.79 1hbs s SER 49 CO 0.37 -0.40 2.24 1.41 0.98 0.00 0.00 173.24 177.84 1hbs n HIS 50 N 5.77 0.95 0.00 5.02 8.25 -1.26 1.24 115.22 135.18 1hbs n HIS 50 Ca -0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1hbs n HIS 50 Cb 0.49 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.21 1hbs n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hbs n GLY 51 N 6.40 1.93 0.00 -1.41 0.00 -1.26 -5.14 105.19 105.71 1hbs n GLY 51 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1hbs n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hbs n SER 52 N 0.00 0.00 0.14 1.61 7.64 10.43 -4.76 113.62 128.68 1hbs n SER 52 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1hbs n SER 52 Cb 0.00 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 63.71 1hbs n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hbs n ALA 53 N 0.00 1.26 0.02 -0.43 0.00 -1.26 -0.68 120.51 119.42 1hbs n ALA 53 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1hbs n ALA 53 Cb 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 1hbs n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hbs h GLN 54 N 0.00 0.15 0.03 0.00 4.20 -1.86 -3.26 115.11 114.38 1hbs h GLN 54 Ca 0.00 -0.26 -0.25 0.00 0.06 0.00 0.00 58.65 58.20 1hbs h GLN 54 Cb 0.13 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1hbs h GLN 54 CO 0.00 0.91 -1.23 0.28 -0.67 0.00 0.00 178.83 178.12 1hbs h VAL 55 N 0.04 1.46 -0.05 -0.54 2.07 -1.73 -0.71 116.25 116.79 1hbs h VAL 55 Ca -0.30 -3.17 -0.15 0.00 0.82 0.00 0.00 66.70 63.90 1hbs h VAL 55 Cb 2.01 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 34.54 1hbs h VAL 55 CO 0.11 0.86 -0.66 0.50 0.02 0.00 0.00 177.57 178.40 1hbs h LYS 56 N 0.02 0.20 -0.12 1.57 1.63 -0.97 -3.15 116.57 115.75 1hbs h LYS 56 Ca -0.11 -0.15 -0.10 0.00 -0.85 0.00 0.00 60.65 59.44 1hbs h LYS 56 Cb 1.87 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.52 1hbs h LYS 56 CO 0.14 0.79 -0.35 0.78 -3.45 0.00 0.00 179.45 177.35 1hbs h GLY 57 N 1.59 0.27 2.00 5.01 0.00 -1.51 -3.29 103.07 107.14 1hbs h GLY 57 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1hbs h GLY 57 CO 0.10 0.22 -0.08 0.84 0.00 0.00 0.00 176.54 177.62 1hbs h HIS 58 N 0.22 0.00 -0.48 5.60 -0.00 -1.09 -3.33 115.15 116.06 1hbs h HIS 58 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1hbs h HIS 58 Cb 0.73 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.11 1hbs h HIS 58 CO 0.01 0.08 0.21 0.78 -0.00 0.00 0.00 177.93 179.01 1hbs h GLY 59 N 0.94 0.73 0.00 5.26 0.00 -1.68 0.54 103.07 108.86 1hbs h GLY 59 Ca -0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 46.72 1hbs h GLY 59 CO 0.01 0.33 -2.26 0.58 0.00 0.00 0.00 176.54 175.21 1hbs n LYS 60 N -4.37 0.73 0.01 4.80 2.85 -1.26 0.37 118.16 121.30 1hbs n LYS 60 Ca 0.04 -0.06 -0.06 0.00 -1.05 0.00 0.00 58.31 57.18 1hbs n LYS 60 Cb 0.14 -1.51 0.13 0.00 -0.65 0.00 0.00 35.03 33.14 1hbs n LYS 60 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1hbs h LYS 61 N 0.00 0.52 0.00 -1.58 3.64 -1.67 1.07 116.57 118.55 1hbs h LYS 61 Ca -0.39 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.58 1hbs h LYS 61 Cb 1.89 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.68 1hbs h LYS 61 CO 0.02 0.82 -1.10 0.28 -2.27 0.00 0.00 179.45 177.20 1hbs n VAL 62 N -4.04 1.49 0.57 2.00 0.31 0.19 -1.44 118.33 117.41 1hbs n VAL 62 Ca -0.01 0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 1hbs n VAL 62 Cb 0.50 -2.17 0.45 0.00 -0.91 0.00 0.00 33.84 31.71 1hbs n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hbs n ALA 63 N -3.65 2.01 0.27 3.52 0.00 1.17 -1.02 120.51 122.81 1hbs n ALA 63 Ca -0.24 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1hbs n ALA 63 Cb 0.54 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 1hbs n ALA 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hbs h ASP 64 N 0.00 -0.96 -0.14 0.00 3.32 0.10 1.30 116.42 120.04 1hbs h ASP 64 Ca 0.00 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1hbs h ASP 64 Cb 0.54 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1hbs h ASP 64 CO 0.00 -0.53 -0.08 0.00 -1.72 0.00 0.00 179.24 176.91 1hbs n ALA 65 N -2.63 -0.09 0.21 3.45 0.00 -0.19 -1.44 120.51 119.81 1hbs n ALA 65 Ca -0.11 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1hbs n ALA 65 Cb 0.38 0.33 0.47 0.00 0.00 0.00 0.00 19.45 20.62 1hbs n ALA 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hbs h LEU 66 N 0.00 0.00 -0.22 0.00 5.85 -0.15 -2.97 115.31 117.82 1hbs h LEU 66 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1hbs h LEU 66 Cb 0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1hbs h LEU 66 CO -0.14 0.29 -0.00 0.74 -0.34 0.00 0.00 178.44 178.99 1hbs h THR 67 N 0.00 0.00 -0.03 1.05 2.02 0.27 0.59 112.91 116.81 1hbs h THR 67 Ca -0.00 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1hbs h THR 67 Cb 0.62 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1hbs h THR 67 CO 0.04 0.00 -0.05 -1.13 0.37 0.00 0.00 175.52 174.75 1hbs h ASN 68 N 0.00 0.03 0.43 4.18 -0.73 -1.52 1.10 115.58 119.07 1hbs h ASN 68 Ca -0.00 -0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.88 1hbs h ASN 68 Cb 0.93 -0.01 0.02 0.00 0.27 0.00 0.00 38.32 39.52 1hbs h ASN 68 CO 0.00 0.09 -1.25 0.00 -0.37 0.00 0.00 177.43 175.91 1hbs h ALA 69 N 1.91 0.07 0.00 1.57 0.00 0.35 -2.82 119.26 120.33 1hbs h ALA 69 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1hbs h ALA 69 Cb 0.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hbs h ALA 69 CO 0.01 0.84 -0.16 1.55 0.00 0.00 0.00 179.25 181.49 1hbs n VAL 70 N -3.65 0.34 0.29 0.00 3.14 -0.97 -1.02 118.33 116.46 1hbs n VAL 70 Ca -0.11 -0.18 0.16 0.00 -2.96 0.00 0.00 64.34 61.25 1hbs n VAL 70 Cb 1.01 -0.40 0.86 0.00 -1.06 0.00 0.00 33.84 34.25 1hbs n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hbs h ALA 71 N 2.69 1.21 -0.06 1.55 0.00 0.13 -3.09 119.26 121.69 1hbs h ALA 71 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1hbs h ALA 71 Cb 0.65 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.22 1hbs h ALA 71 CO 0.00 0.07 -0.79 0.72 0.00 0.00 0.00 179.25 179.25 1hbs n HIS 72 N -3.47 0.21 -0.22 0.00 8.25 -0.69 -4.89 115.22 114.43 1hbs n HIS 72 Ca -0.02 -1.12 0.21 0.00 -0.26 0.00 0.00 57.72 56.53 1hbs n HIS 72 Cb 0.19 -0.21 0.39 0.00 1.12 0.00 0.00 29.99 31.47 1hbs n HIS 72 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1hbs n VAL 73 N -0.34 -0.26 -0.14 1.59 0.24 -0.19 -2.34 118.33 116.89 1hbs n VAL 73 Ca 0.14 1.29 -0.04 0.00 -2.04 0.00 0.00 64.34 63.70 1hbs n VAL 73 Cb 0.92 -2.10 -0.03 0.00 -1.47 0.00 0.00 33.84 31.15 1hbs n VAL 73 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1hbs n ASP 74 N -4.41 -0.36 -3.40 -1.34 8.00 -1.26 -2.77 116.55 111.02 1hbs n ASP 74 Ca 0.25 0.84 -0.27 0.00 0.71 0.00 0.00 54.79 56.31 1hbs n ASP 74 Cb 0.85 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.65 1hbs n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hbs s ASP 75 N -4.33 1.62 0.37 -2.24 2.15 -0.99 -4.91 116.67 108.34 1hbs s ASP 75 Ca -0.04 -2.93 0.19 0.00 0.43 0.00 0.00 52.55 50.20 1hbs s ASP 75 Cb 0.04 -0.42 1.21 0.00 -0.30 0.00 0.00 42.92 43.45 1hbs s ASP 75 CO 0.21 -0.19 1.64 0.24 -0.17 0.00 0.00 175.17 176.90 1hbs h MET 76 N 5.84 0.20 -0.22 4.34 2.86 -1.56 0.53 114.93 126.93 1hbs h MET 76 Ca 0.24 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 1hbs h MET 76 Cb 0.92 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1hbs h MET 76 CO 0.35 0.13 0.56 -1.35 1.06 0.00 0.00 176.91 177.67 1hbs h PRO 77 N 0.21 0.00 -0.48 -0.22 0.11 -1.89 -1.78 132.00 127.95 1hbs h PRO 77 Ca 0.77 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.78 1hbs h PRO 77 Cb 1.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.05 1hbs h PRO 77 CO -0.60 0.00 -0.12 -0.91 -0.21 0.00 0.00 178.00 176.16 1hbs h ASN 78 N 0.00 0.93 0.00 -2.05 2.35 -0.27 -0.34 115.58 116.20 1hbs h ASN 78 Ca 0.10 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1hbs h ASN 78 Cb 1.23 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1hbs h ASN 78 CO -0.00 1.08 -0.01 0.00 -1.65 0.00 0.00 177.43 176.85 1hbs h ALA 79 N 0.88 0.00 -0.28 -0.83 0.00 -1.59 -3.35 119.26 114.10 1hbs h ALA 79 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1hbs h ALA 79 Cb 0.67 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1hbs h ALA 79 CO 0.05 0.01 -0.17 1.28 0.00 0.00 0.00 179.25 180.42 1hbs n LEU 80 N -3.35 -0.30 0.00 0.00 7.99 -0.97 0.88 117.00 121.26 1hbs n LEU 80 Ca -0.00 0.90 0.00 0.00 -0.01 0.00 0.00 56.01 56.90 1hbs n LEU 80 Cb 0.01 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1hbs n LEU 80 CO 0.00 -0.61 0.00 -0.24 -1.51 0.00 0.00 177.39 175.04 1hbs n SER 81 N -3.57 0.00 0.00 -1.43 2.88 -0.14 0.96 113.62 112.33 1hbs n SER 81 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1hbs n SER 81 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1hbs n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hbs n ALA 82 N -0.61 0.00 0.05 -1.46 0.00 0.25 -2.34 120.51 116.41 1hbs n ALA 82 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1hbs n ALA 82 Cb 0.00 0.03 0.70 0.00 0.00 0.00 0.00 19.45 20.19 1hbs n ALA 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hbs h LEU 83 N 0.00 0.00 0.63 0.00 5.85 0.46 -3.13 115.31 119.12 1hbs h LEU 83 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1hbs h LEU 83 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1hbs h LEU 83 CO 0.00 0.00 -0.39 0.28 -0.34 0.00 0.00 178.44 177.99 1hbs h SER 84 N 0.00 -0.98 -0.30 1.25 0.02 -1.47 14.83 113.55 126.89 1hbs h SER 84 Ca 0.23 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1hbs h SER 84 Cb 1.34 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.16 1hbs h SER 84 CO -0.00 -0.59 0.06 0.44 -1.14 0.00 0.00 176.83 175.60 1hbs h ASP 85 N -0.95 0.46 0.00 3.07 5.19 -1.40 0.02 116.42 122.81 1hbs h ASP 85 Ca -0.08 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1hbs h ASP 85 Cb 0.76 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1hbs h ASP 85 CO 0.08 0.59 0.00 -0.11 -3.12 0.00 0.00 179.24 176.68 1hbs n LEU 86 N -4.65 0.08 -0.32 1.55 7.94 -0.40 0.39 117.00 121.59 1hbs n LEU 86 Ca -0.02 0.82 0.06 0.00 -1.11 0.00 0.00 56.01 55.76 1hbs n LEU 86 Cb 0.20 -0.38 0.21 0.00 0.53 0.00 0.00 43.42 43.97 1hbs n LEU 86 CO 0.37 -0.38 1.17 0.45 -1.11 0.00 0.00 177.39 177.89 1hbs h HIS 87 N 0.00 0.96 -0.76 1.96 3.86 3.36 0.39 115.15 124.92 1hbs h HIS 87 Ca 0.00 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1hbs h HIS 87 Cb 0.00 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.14 1hbs h HIS 87 CO 0.15 0.36 0.30 0.00 0.86 0.00 0.00 177.93 179.60 1hbs h ALA 88 N 1.51 1.10 0.00 2.45 0.00 -0.85 -1.37 119.26 122.10 1hbs h ALA 88 Ca 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1hbs h ALA 88 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hbs h ALA 88 CO -0.28 0.64 -1.07 0.72 0.00 0.00 0.00 179.25 179.27 1hbs n HIS 89 N -4.28 0.00 0.00 0.00 8.25 0.16 -4.66 115.22 114.69 1hbs n HIS 89 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1hbs n HIS 89 Cb 0.19 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1hbs n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1hbs n LYS 90 N -1.57 0.00 -0.20 -0.41 4.81 0.09 -4.75 118.16 116.14 1hbs n LYS 90 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.38 1hbs n LYS 90 Cb 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.08 1hbs n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1hbs n LEU 91 N 0.00 -0.51 -3.07 3.14 4.77 -0.98 -4.87 117.00 115.49 1hbs n LEU 91 Ca 0.00 0.90 -0.09 0.00 -0.03 0.00 0.00 56.01 56.79 1hbs n LEU 91 Cb 0.00 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1hbs n LEU 91 CO 0.00 -0.72 0.11 0.54 -1.33 0.00 0.00 177.39 176.00 1hbs n ARG 92 N -4.47 -1.86 -4.40 3.23 1.74 -0.52 -5.04 116.66 105.34 1hbs n ARG 92 Ca 0.01 1.71 -0.34 0.00 -0.77 0.00 0.00 57.85 58.46 1hbs n ARG 92 Cb 0.12 -5.11 -0.11 0.00 -1.02 0.00 0.00 32.46 26.34 1hbs n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hbs s VAL 93 N -2.69 3.99 0.16 1.55 1.01 -1.26 -5.07 120.40 118.10 1hbs s VAL 93 Ca 0.14 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1hbs s VAL 93 Cb -0.03 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 1hbs s VAL 93 CO 0.78 0.53 1.79 -0.62 0.00 0.00 0.00 175.10 177.58 1hbs s ASP 94 N -0.01 6.40 0.00 3.32 2.15 -1.26 -4.79 116.67 122.48 1hbs s ASP 94 Ca 0.01 2.82 0.00 0.00 0.43 0.00 0.00 52.55 55.81 1hbs s ASP 94 Cb -0.13 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1hbs s ASP 94 CO 0.02 -1.00 0.11 -0.81 -0.17 0.00 0.00 175.17 173.33 1hbs n PRO 95 N 4.92 0.00 -0.32 4.34 -0.04 -1.26 -2.26 135.00 140.38 1hbs n PRO 95 Ca 0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1hbs n PRO 95 Cb 0.37 -1.14 0.16 0.00 -0.04 0.00 0.00 33.50 32.85 1hbs n PRO 95 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1hbs h VAL 96 N 0.00 1.22 0.00 0.52 3.04 -2.03 -2.83 116.25 116.17 1hbs h VAL 96 Ca 0.00 -0.42 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1hbs h VAL 96 Cb 0.00 -0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.16 1hbs h VAL 96 CO 0.00 0.22 -0.28 0.78 -1.01 0.00 0.00 177.57 177.28 1hbs h ASN 97 N 1.23 0.00 -0.81 3.17 4.21 -1.84 -3.29 115.58 118.25 1hbs h ASN 97 Ca 0.35 0.00 0.14 0.00 1.21 0.00 0.00 56.30 57.99 1hbs h ASN 97 Cb -0.11 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.00 1hbs h ASN 97 CO -0.08 0.01 0.40 -0.26 -1.29 0.00 0.00 177.43 176.21 1hbs h PHE 98 N 0.00 0.71 0.00 1.19 0.04 -1.63 0.21 116.94 117.46 1hbs h PHE 98 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1hbs h PHE 98 Cb 1.01 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1hbs h PHE 98 CO 0.00 0.17 0.00 1.17 -0.60 0.00 0.00 178.31 179.05 1hbs n LYS 99 N -4.89 0.07 -0.02 1.51 4.81 -1.24 -3.50 118.16 114.91 1hbs n LYS 99 Ca 0.16 0.35 0.04 0.00 -0.87 0.00 0.00 58.31 57.99 1hbs n LYS 99 Cb 0.40 -1.65 -0.14 0.00 0.02 0.00 0.00 35.03 33.66 1hbs n LYS 99 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1hbs n LEU 100 N -1.78 0.16 -0.03 3.14 4.77 0.75 -3.43 117.00 120.58 1hbs n LEU 100 Ca 0.02 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1hbs n LEU 100 Cb 0.17 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1hbs n LEU 100 CO 0.14 0.14 0.30 0.25 -1.33 0.00 0.00 177.39 176.89 1hbs h LEU 101 N 0.00 0.87 -2.38 2.23 5.85 -1.63 0.45 115.31 120.70 1hbs h LEU 101 Ca -0.17 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 57.94 1hbs h LEU 101 Cb 1.41 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1hbs h LEU 101 CO 0.01 1.36 0.07 0.77 -0.34 0.00 0.00 178.44 180.31 1hbs h SER 102 N 0.44 0.00 0.22 1.25 4.64 -1.75 2.52 113.55 120.87 1hbs h SER 102 Ca -0.05 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.93 1hbs h SER 102 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1hbs h SER 102 CO 0.15 0.00 -1.95 1.57 -0.87 0.00 0.00 176.83 175.72 1hbs n HIS 103 N -3.84 1.10 0.20 4.77 -0.00 1.00 -3.86 115.22 114.58 1hbs n HIS 103 Ca -0.01 0.27 0.05 0.00 -0.00 0.00 0.00 57.72 58.03 1hbs n HIS 103 Cb 0.17 -1.16 0.40 0.00 -0.00 0.00 0.00 29.99 29.40 1hbs n HIS 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hbs h LEU 105 N 0.00 -0.68 -0.74 0.00 5.85 0.41 -2.92 115.31 117.24 1hbs h LEU 105 Ca -0.00 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.87 1hbs h LEU 105 Cb 0.74 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.81 1hbs h LEU 105 CO 0.05 -0.42 -0.08 0.25 -0.34 0.00 0.00 178.44 177.90 1hbs h LEU 106 N -0.89 -0.49 0.22 2.25 5.85 -1.67 -0.42 115.31 120.16 1hbs h LEU 106 Ca -0.08 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1hbs h LEU 106 Cb 0.64 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1hbs h LEU 106 CO 0.13 -0.21 -0.10 -0.37 -0.34 0.00 0.00 178.44 177.55 1hbs h VAL 107 N 0.05 0.83 -0.21 1.05 -1.51 -1.63 4.09 116.25 118.93 1hbs h VAL 107 Ca 0.38 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 65.69 1hbs h VAL 107 Cb 0.64 0.95 -0.04 0.00 -2.13 0.00 0.00 31.29 30.72 1hbs h VAL 107 CO -0.70 0.05 -0.02 0.74 -1.23 0.00 0.00 177.57 176.40 1hbs h THR 108 N -0.39 0.82 0.16 7.19 2.02 -1.35 -1.30 112.91 120.06 1hbs h THR 108 Ca -0.03 -0.01 -0.27 0.00 0.77 0.00 0.00 66.41 66.86 1hbs h THR 108 Cb 0.30 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1hbs h THR 108 CO 0.05 0.01 -1.31 0.25 0.37 0.00 0.00 175.52 174.89 1hbs h LEU 109 N 0.04 0.53 -1.81 2.58 5.85 -1.05 -3.34 115.31 118.10 1hbs h LEU 109 Ca 0.10 -0.91 -0.03 0.00 0.84 0.00 0.00 57.88 57.88 1hbs h LEU 109 Cb 0.14 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1hbs h LEU 109 CO -0.19 1.60 -0.15 0.00 -0.34 0.00 0.00 178.44 179.36 1hbs h ALA 110 N 0.05 1.36 -1.00 1.25 0.00 0.91 -1.76 119.26 120.07 1hbs h ALA 110 Ca -0.26 -0.13 -0.69 0.00 0.00 0.00 0.00 54.91 53.83 1hbs h ALA 110 Cb 1.85 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 19.33 1hbs h ALA 110 CO 0.14 0.19 0.87 0.00 0.00 0.00 0.00 179.25 180.44 1hbs n ALA 111 N -2.33 6.34 0.00 0.00 0.00 -1.09 -3.73 120.51 119.71 1hbs n ALA 111 Ca -0.02 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1hbs n ALA 111 Cb 0.25 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1hbs n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hbs n HIS 112 N -0.84 0.00 -3.38 0.00 -0.00 -1.02 -4.99 115.22 105.00 1hbs n HIS 112 Ca 0.61 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 58.07 1hbs n HIS 112 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.49 1hbs n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hbs n LEU 113 N -0.10 0.39 0.18 2.41 4.32 -0.69 -4.96 117.00 118.54 1hbs n LEU 113 Ca 0.00 -4.64 -0.09 0.00 -0.02 0.00 0.00 56.01 51.26 1hbs n LEU 113 Cb 0.00 0.36 -0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1hbs n LEU 113 CO 0.00 1.94 0.51 1.55 -1.22 0.00 0.00 177.39 180.17 1hbs h PRO 114 N 4.94 -0.50 -2.18 3.23 0.13 -1.84 -3.21 132.00 132.58 1hbs h PRO 114 Ca 0.18 0.03 -0.58 0.00 -0.87 0.00 0.00 66.00 64.77 1hbs h PRO 114 Cb 0.87 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.71 1hbs h PRO 114 CO 0.47 -0.33 -0.90 0.00 -0.23 0.00 0.00 178.00 177.01 1hbs n ALA 115 N -2.39 3.06 0.00 -0.56 0.00 -1.26 -4.19 120.51 115.17 1hbs n ALA 115 Ca -0.06 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1hbs n ALA 115 Cb 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1hbs n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hbs n GLU 116 N 1.43 0.68 -0.21 0.00 -0.58 -1.25 -4.87 120.64 115.84 1hbs n GLU 116 Ca 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1hbs n GLU 116 Cb 0.47 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1hbs n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1hbs n PHE 117 N -2.22 0.00 -1.55 -0.32 7.35 -1.21 -4.74 117.46 114.77 1hbs n PHE 117 Ca 0.00 -0.54 -0.52 0.00 -0.76 0.00 0.00 57.45 55.63 1hbs n PHE 117 Cb 0.42 -0.34 -0.05 0.00 0.35 0.00 0.00 39.48 39.86 1hbs n PHE 117 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1hbs n THR 118 N 1.30 0.52 -0.34 -2.13 -1.04 -1.26 -4.68 114.28 106.66 1hbs n THR 118 Ca 0.00 -0.13 0.22 0.00 -2.04 0.00 0.00 64.05 62.10 1hbs n THR 118 Cb 0.33 -0.59 0.41 0.00 -1.82 0.00 0.00 70.33 68.66 1hbs n THR 118 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1hbs h PRO 119 N 3.46 0.00 -0.82 -2.82 0.10 -1.99 -1.14 132.00 128.79 1hbs h PRO 119 Ca -0.45 -0.00 0.16 0.00 0.10 0.00 0.00 66.00 65.81 1hbs h PRO 119 Cb 1.37 -0.00 -0.10 0.00 0.10 0.00 0.00 31.00 32.36 1hbs h PRO 119 CO 0.70 0.00 0.36 0.00 0.10 0.00 0.00 178.00 179.16 1hbs h ALA 120 N 2.00 1.21 -0.04 -0.75 0.00 -1.98 -2.79 119.26 116.91 1hbs h ALA 120 Ca 0.70 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 55.48 1hbs h ALA 120 Cb 1.64 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.53 1hbs h ALA 120 CO -0.87 -0.21 -0.97 0.28 0.00 0.00 0.00 179.25 177.48 1hbs h VAL 121 N 0.48 1.28 -0.18 0.00 2.07 -1.51 -2.48 116.25 115.91 1hbs h VAL 121 Ca 0.46 -2.17 0.02 0.00 0.82 0.00 0.00 66.70 65.83 1hbs h VAL 121 Cb 0.74 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1hbs h VAL 121 CO -0.43 0.68 0.04 -0.74 0.02 0.00 0.00 177.57 177.14 1hbs h HIS 122 N 0.43 0.07 -0.16 1.57 6.17 -1.41 30.77 115.15 152.58 1hbs h HIS 122 Ca -0.11 0.01 -0.16 0.00 0.71 0.00 0.00 60.37 60.82 1hbs h HIS 122 Cb 1.62 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.54 1hbs h HIS 122 CO 0.10 0.03 -0.56 0.00 0.71 0.00 0.00 177.93 178.21 1hbs h ALA 123 N 1.12 0.73 -0.24 5.26 0.00 -1.42 2.16 119.26 126.88 1hbs h ALA 123 Ca 0.08 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1hbs h ALA 123 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hbs h ALA 123 CO -0.10 0.69 -0.26 0.66 0.00 0.00 0.00 179.25 180.25 1hbs h SER 124 N 0.37 0.64 0.61 0.00 4.64 0.32 -1.68 113.55 118.45 1hbs h SER 124 Ca 0.00 -0.48 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 1hbs h SER 124 Cb 1.09 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1hbs h SER 124 CO 0.10 0.99 -0.74 -0.07 -0.87 0.00 0.00 176.83 176.24 1hbs h LEU 125 N 0.30 0.13 -0.26 5.97 3.38 7.37 -2.36 115.31 129.84 1hbs h LEU 125 Ca 0.04 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1hbs h LEU 125 Cb 0.82 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1hbs h LEU 125 CO 0.06 0.82 -0.32 -0.78 0.09 0.00 0.00 178.44 178.32 1hbs h ASP 126 N 0.07 -1.07 -0.87 -0.43 3.58 0.45 -2.50 116.42 115.65 1hbs h ASP 126 Ca -0.02 0.14 0.22 0.00 0.42 0.00 0.00 57.03 57.80 1hbs h ASP 126 Cb 1.31 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 42.75 1hbs h ASP 126 CO 0.11 -0.22 0.60 0.11 -2.88 0.00 0.00 179.24 176.95 1hbs h LYS 127 N -0.20 0.20 0.11 0.28 1.57 -1.28 -3.28 116.57 113.96 1hbs h LYS 127 Ca 0.05 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1hbs h LYS 127 Cb 0.33 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1hbs h LYS 127 CO -0.35 0.13 -0.44 0.35 -0.57 0.00 0.00 179.45 178.56 1hbs h PHE 128 N 0.21 -1.29 0.00 -1.35 3.57 -0.95 -3.27 116.94 113.87 1hbs h PHE 128 Ca 0.44 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 1hbs h PHE 128 Cb 1.38 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 40.67 1hbs h PHE 128 CO -0.00 -0.50 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.48 1hbs h LEU 129 N -0.64 0.00 0.07 0.59 3.38 -1.68 -1.90 115.31 115.13 1hbs h LEU 129 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1hbs h LEU 129 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1hbs h LEU 129 CO -0.24 0.03 -1.36 0.00 0.09 0.00 0.00 178.44 176.97 1hbs h ALA 130 N 1.97 0.34 0.31 1.53 0.00 -1.69 0.29 119.26 122.01 1hbs h ALA 130 Ca -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 1hbs h ALA 130 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1hbs h ALA 130 CO 0.00 1.21 -0.15 0.77 0.00 0.00 0.00 179.25 181.08 1hbs h SER 131 N 0.04 -0.35 -0.32 0.00 0.02 -1.71 6.60 113.55 117.83 1hbs h SER 131 Ca -0.16 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 1hbs h SER 131 Cb 1.94 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.56 1hbs h SER 131 CO 0.15 0.03 -0.20 0.58 -1.14 0.00 0.00 176.83 176.25 1hbs h VAL 132 N -0.98 1.29 -0.05 2.27 2.07 -1.27 -2.25 116.25 117.33 1hbs h VAL 132 Ca -0.04 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1hbs h VAL 132 Cb 0.32 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1hbs h VAL 132 CO 0.07 0.43 -0.20 0.28 0.02 0.00 0.00 177.57 178.18 1hbs h SER 133 N 0.47 0.08 -0.95 0.57 0.02 0.29 -3.22 113.55 110.82 1hbs h SER 133 Ca 0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1hbs h SER 133 Cb 0.75 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 1hbs h SER 133 CO 0.06 0.28 0.60 0.74 -1.14 0.00 0.00 176.83 177.37 1hbs h THR 134 N 0.08 1.25 0.79 -2.27 2.02 1.44 -2.94 112.91 113.28 1hbs h THR 134 Ca 0.01 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1hbs h THR 134 Cb 0.40 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1hbs h THR 134 CO 0.03 0.25 -0.38 0.58 0.37 0.00 0.00 175.52 176.37 1hbs h VAL 135 N 1.29 0.10 0.00 3.16 2.07 -1.60 -2.81 116.25 118.47 1hbs h VAL 135 Ca 0.34 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1hbs h VAL 135 Cb -0.11 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1hbs h VAL 135 CO -0.07 0.01 0.00 -0.07 0.02 0.00 0.00 177.57 177.46 1hbs h LEU 136 N -1.22 0.00 -0.42 2.57 3.38 -1.61 -1.57 115.31 116.44 1hbs h LEU 136 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hbs h LEU 136 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1hbs h LEU 136 CO 0.18 0.00 -0.32 0.41 0.09 0.00 0.00 178.44 178.80 1hbs n THR 137 N -2.96 0.00 0.37 0.22 -1.04 -1.11 -4.48 114.28 105.27 1hbs n THR 137 Ca 0.00 -0.11 0.05 0.00 -2.04 0.00 0.00 64.05 61.95 1hbs n THR 137 Cb 0.25 0.42 0.22 0.00 -1.82 0.00 0.00 70.33 69.40 1hbs n THR 137 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1hbs n SER 138 N -0.78 0.00 -0.59 8.00 7.64 -0.59 -3.47 113.62 123.83 1hbs n SER 138 Ca 0.11 0.46 0.06 0.00 1.01 0.00 0.00 58.87 60.51 1hbs n SER 138 Cb 0.35 -0.47 0.17 0.00 -1.01 0.00 0.00 64.21 63.24 1hbs n SER 138 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1hbs n LYS 139 N -1.47 1.28 -0.05 1.43 4.01 -1.26 -4.54 118.16 117.55 1hbs n LYS 139 Ca 0.03 -2.92 -0.12 0.00 -0.51 0.00 0.00 58.31 54.79 1hbs n LYS 139 Cb 0.11 -1.37 -0.10 0.00 -0.51 0.00 0.00 35.03 33.16 1hbs n LYS 139 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1hbs h TYR 140 N 0.75 -0.02 0.00 2.13 0.99 -1.88 -3.47 116.97 115.48 1hbs h TYR 140 Ca -0.03 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1hbs h TYR 140 Cb 1.12 0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.85 1hbs h TYR 140 CO 0.51 0.73 0.00 0.54 -0.00 0.00 0.00 178.16 179.94