#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 4.20 0.81 7.52 0.05 -1.26 -5.12 118.68 124.87 1hbs s LEU 2 Ca 0.00 0.38 -0.07 0.00 0.05 0.00 0.00 54.13 54.49 1hbs s LEU 2 Cb 0.00 -2.01 0.14 0.00 -2.05 0.00 0.00 46.19 42.27 1hbs s LEU 2 CO 0.00 0.39 1.12 -0.55 -0.55 0.00 0.00 176.35 176.76 1hbs s SER 3 N -0.91 3.99 0.20 1.48 0.15 -1.26 -4.96 113.70 112.39 1hbs s SER 3 Ca 0.14 0.03 0.25 0.00 0.70 0.00 0.00 55.95 57.07 1hbs s SER 3 Cb -0.12 -0.34 0.63 0.00 -1.71 0.00 0.00 66.02 64.48 1hbs s SER 3 CO 0.03 -2.13 1.62 1.55 1.20 0.00 0.00 173.24 175.51 1hbs h PRO 4 N -0.95 0.00 -0.24 5.44 0.13 -2.00 -2.99 132.00 131.39 1hbs h PRO 4 Ca -0.41 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1hbs h PRO 4 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1hbs h PRO 4 CO 0.43 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.12 1hbs h ALA 5 N 2.47 0.12 -0.77 -0.56 0.00 -2.03 -2.88 119.26 115.61 1hbs h ALA 5 Ca 0.00 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1hbs h ALA 5 Cb 0.76 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1hbs h ALA 5 CO 0.00 -0.50 0.11 -0.44 0.00 0.00 0.00 179.25 178.42 1hbs h ASP 6 N -0.04 -0.16 -0.26 0.00 3.32 -1.90 -3.34 116.42 114.04 1hbs h ASP 6 Ca 0.12 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.41 1hbs h ASP 6 Cb 0.22 0.28 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 1hbs h ASP 6 CO -0.27 -0.13 -0.30 0.11 -1.72 0.00 0.00 179.24 176.93 1hbs h LYS 7 N 0.17 -0.30 -0.20 3.56 1.57 -1.53 -2.87 116.57 116.98 1hbs h LYS 7 Ca 0.44 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 59.12 1hbs h LYS 7 Cb 0.79 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1hbs h LYS 7 CO -0.61 -0.20 -0.35 1.79 -0.57 0.00 0.00 179.45 179.51 1hbs h THR 8 N -0.31 1.33 -0.40 -0.16 1.35 -1.67 -0.92 112.91 112.13 1hbs h THR 8 Ca 0.13 -1.57 0.07 0.00 -0.55 0.00 0.00 66.41 64.49 1hbs h THR 8 Cb 0.52 1.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.73 1hbs h THR 8 CO -0.43 0.49 0.06 0.78 -0.25 0.00 0.00 175.52 176.17 1hbs h ASN 9 N 0.27 -0.03 0.08 5.36 2.35 -1.68 0.80 115.58 122.73 1hbs h ASN 9 Ca 0.01 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1hbs h ASN 9 Cb 0.94 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1hbs h ASN 9 CO 0.08 0.02 -0.04 1.62 -1.65 0.00 0.00 177.43 177.46 1hbs h VAL 10 N 0.19 0.10 -0.69 2.81 3.04 -1.42 -1.68 116.25 118.60 1hbs h VAL 10 Ca 0.20 -0.99 0.15 0.00 -1.01 0.00 0.00 66.70 65.04 1hbs h VAL 10 Cb 0.25 0.19 -0.11 0.00 -2.01 0.00 0.00 31.29 29.61 1hbs h VAL 10 CO -0.27 0.03 0.11 0.11 -1.01 0.00 0.00 177.57 176.54 1hbs h LYS 11 N -1.02 0.20 -0.08 4.17 1.57 -1.07 0.32 116.57 120.66 1hbs h LYS 11 Ca -0.01 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1hbs h LYS 11 Cb 0.13 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1hbs h LYS 11 CO 0.02 0.13 -0.50 0.00 -0.57 0.00 0.00 179.45 178.54 1hbs h ALA 12 N 1.59 0.16 -0.00 3.86 0.00 0.54 -2.65 119.26 122.76 1hbs h ALA 12 Ca 0.38 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1hbs h ALA 12 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1hbs h ALA 12 CO -0.52 0.35 -0.17 0.00 0.00 0.00 0.00 179.25 178.91 1hbs n ALA 13 N -2.55 2.84 0.19 0.00 0.00 -0.41 -2.52 120.51 118.06 1hbs n ALA 13 Ca -0.08 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.17 1hbs n ALA 13 Cb 0.60 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.99 1hbs n ALA 13 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1hbs h TRP 14 N 0.38 0.00 -0.01 0.00 2.91 -1.06 -2.71 115.95 115.46 1hbs h TRP 14 Ca 0.00 0.00 -0.20 0.00 1.13 0.00 0.00 58.89 59.82 1hbs h TRP 14 Cb 0.42 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 29.09 1hbs h TRP 14 CO 0.00 0.32 -0.77 0.78 -1.03 0.00 0.00 178.44 177.74 1hbs h GLY 15 N 2.83 0.61 1.57 2.65 0.00 -1.17 -2.57 103.07 106.99 1hbs h GLY 15 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.29 1hbs h GLY 15 CO 0.04 0.92 0.00 1.17 0.00 0.00 0.00 176.54 178.67 1hbs n LYS 16 N -4.07 0.20 0.00 4.80 4.81 -1.03 -2.12 118.16 120.75 1hbs n LYS 16 Ca -0.10 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1hbs n LYS 16 Cb 0.75 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1hbs n LYS 16 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1hbs n VAL 17 N -1.28 0.00 0.00 3.15 0.31 -1.14 -4.78 118.33 114.59 1hbs n VAL 17 Ca 0.07 0.92 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 1hbs n VAL 17 Cb 0.11 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1hbs n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hbs n GLY 18 N 0.54 0.26 0.41 2.92 0.00 -0.90 -0.62 105.19 107.80 1hbs n GLY 18 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 46.02 46.77 1hbs n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbs n ALA 19 N 2.34 2.32 0.91 4.61 0.00 -1.26 -4.54 120.51 124.88 1hbs n ALA 19 Ca 0.00 -1.61 0.10 0.00 0.00 0.00 0.00 53.44 51.93 1hbs n ALA 19 Cb 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1hbs n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hbs n HIS 20 N -0.33 0.00 0.00 0.00 -0.00 0.20 -4.66 115.22 110.43 1hbs n HIS 20 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1hbs n HIS 20 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 1hbs n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hbs n ALA 21 N 0.55 0.00 0.09 -1.41 0.00 -1.26 0.02 120.51 118.50 1hbs n ALA 21 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 1hbs n ALA 21 Cb 0.48 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.16 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 0.29 0.00 0.00 0.00 -1.83 -3.10 103.07 98.43 1hbs h GLY 22 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1hbs h GLY 22 CO 0.00 0.24 -1.06 -2.21 0.00 0.00 0.00 176.54 173.52 1hbs n GLU 23 N -4.05 0.52 0.14 4.80 2.13 -0.04 -0.29 120.64 123.85 1hbs n GLU 23 Ca -0.01 0.52 0.11 0.00 0.66 0.00 0.00 57.16 58.44 1hbs n GLU 23 Cb 0.46 -1.69 0.63 0.00 0.27 0.00 0.00 31.44 31.10 1hbs n GLU 23 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1hbs h TYR 24 N -1.00 0.07 -0.20 4.31 0.99 -0.34 0.33 116.97 121.14 1hbs h TYR 24 Ca -0.22 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.42 1hbs h TYR 24 Cb 1.00 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 38.71 1hbs h TYR 24 CO -0.07 0.04 -0.21 0.78 -0.00 0.00 0.00 178.16 178.70 1hbs h GLY 25 N 0.07 0.54 1.82 3.88 0.00 -1.62 -2.92 103.07 104.83 1hbs h GLY 25 Ca 0.10 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1hbs h GLY 25 CO -0.01 0.50 -0.67 0.00 0.00 0.00 0.00 176.54 176.37 1hbs h ALA 26 N 0.64 0.66 0.00 3.60 0.00 0.28 -3.05 119.26 121.39 1hbs h ALA 26 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hbs h ALA 26 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1hbs h ALA 26 CO 0.05 0.67 0.00 -1.91 0.00 0.00 0.00 179.25 178.06 1hbs n GLU 27 N -3.16 0.13 0.00 0.00 2.13 -1.05 0.29 120.64 118.97 1hbs n GLU 27 Ca 0.00 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1hbs n GLU 27 Cb 0.75 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1hbs n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hbs n ALA 28 N -1.68 -0.09 0.17 4.31 0.00 -1.10 -1.83 120.51 120.28 1hbs n ALA 28 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1hbs n ALA 28 Cb 0.22 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 1hbs n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hbs h LEU 29 N 0.00 -0.31 0.14 0.00 3.38 -1.65 0.25 115.31 117.12 1hbs h LEU 29 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1hbs h LEU 29 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1hbs h LEU 29 CO 0.00 -0.18 -0.07 -0.08 0.09 0.00 0.00 178.44 178.20 1hbs h GLU 30 N -0.41 -0.18 0.00 1.13 4.81 -0.18 0.16 114.58 119.90 1hbs h GLU 30 Ca -0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1hbs h GLU 30 Cb 0.32 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1hbs h GLU 30 CO 0.06 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 178.45 1hbs h ARG 31 N -0.48 0.00 0.00 1.92 -0.00 -0.98 -3.31 114.38 111.53 1hbs h ARG 31 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1hbs h ARG 31 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.35 1hbs h ARG 31 CO 0.03 0.00 0.00 -0.12 0.00 0.00 0.00 179.97 179.88 1hbs n MET 32 N -2.70 0.00 0.09 0.04 1.56 0.85 -2.24 117.12 114.71 1hbs n MET 32 Ca 0.00 0.67 0.05 0.00 -0.27 0.00 0.00 57.70 58.15 1hbs n MET 32 Cb 0.21 -1.11 0.49 0.00 2.15 0.00 0.00 33.22 34.96 1hbs n MET 32 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1hbs h PHE 33 N 0.00 0.34 0.00 1.12 0.04 -1.60 -3.06 116.94 113.79 1hbs h PHE 33 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1hbs h PHE 33 Cb 0.00 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1hbs h PHE 33 CO -0.42 0.22 -0.81 -0.07 -0.60 0.00 0.00 178.31 176.63 1hbs h LEU 34 N 0.37 0.00 0.00 1.54 3.38 -1.61 -3.25 115.31 115.73 1hbs h LEU 34 Ca 0.10 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1hbs h LEU 34 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1hbs h LEU 34 CO -0.02 0.00 -2.11 -1.54 0.09 0.00 0.00 178.44 174.86 1hbs n SER 35 N -2.75 0.37 -3.02 -0.43 3.41 -0.95 -4.65 113.62 105.59 1hbs n SER 35 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 1hbs n SER 35 Cb 0.55 1.44 -0.01 0.00 -0.26 0.00 0.00 64.21 65.92 1hbs n SER 35 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hbs n PHE 36 N -2.45 0.35 -0.13 7.33 0.99 -1.16 -5.08 117.46 117.31 1hbs n PHE 36 Ca -0.17 -3.46 0.28 0.00 -0.00 0.00 0.00 57.45 54.09 1hbs n PHE 36 Cb 0.82 -0.34 0.67 0.00 -1.00 0.00 0.00 39.48 39.63 1hbs n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1hbs h PRO 37 N 2.99 0.00 -0.01 -1.08 0.13 -1.74 -1.54 132.00 130.76 1hbs h PRO 37 Ca 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 1hbs h PRO 37 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1hbs h PRO 37 CO 0.48 0.00 -0.64 0.00 -0.23 0.00 0.00 178.00 177.62 1hbs h THR 38 N 0.00 1.45 0.00 1.56 1.03 -1.95 -3.25 112.91 111.76 1hbs h THR 38 Ca 0.40 -2.18 -0.04 0.00 -0.01 0.00 0.00 66.41 64.58 1hbs h THR 38 Cb 2.00 2.17 -0.01 0.00 -1.07 0.00 0.00 68.15 71.24 1hbs h THR 38 CO -0.00 0.62 -0.18 0.71 -0.01 0.00 0.00 175.52 176.66 1hbs h THR 39 N 0.02 0.34 -0.45 0.00 1.35 -1.62 -3.25 112.91 109.30 1hbs h THR 39 Ca -0.01 -1.31 0.13 0.00 -0.55 0.00 0.00 66.41 64.68 1hbs h THR 39 Cb 1.13 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 1hbs h THR 39 CO 0.08 0.18 0.37 0.11 -0.25 0.00 0.00 175.52 176.02 1hbs h LYS 40 N 0.00 0.00 -0.31 4.72 1.79 -1.77 -1.72 116.57 119.28 1hbs h LYS 40 Ca -0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1hbs h LYS 40 Cb 1.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1hbs h LYS 40 CO 0.02 0.00 0.23 1.79 -1.08 0.00 0.00 179.45 180.41 1hbs h THR 41 N 0.00 0.83 0.00 -0.16 1.35 -1.85 0.21 112.91 113.30 1hbs h THR 41 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1hbs h THR 41 Cb 0.96 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1hbs h THR 41 CO -0.00 0.00 -0.79 -1.22 -0.25 0.00 0.00 175.52 173.26 1hbs n TYR 42 N -4.43 0.45 -3.16 4.73 4.01 -0.65 -4.39 117.16 113.72 1hbs n TYR 42 Ca 0.04 0.13 -0.24 0.00 -0.16 0.00 0.00 57.90 57.67 1hbs n TYR 42 Cb 0.40 -0.58 -0.05 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.06 2.25 0.29 -0.72 3.01 0.75 -4.92 117.46 116.05 1hbs n PHE 43 Ca 0.03 -3.92 0.17 0.00 1.01 0.00 0.00 57.45 54.74 1hbs n PHE 43 Cb 0.44 -0.47 0.86 0.00 -0.01 0.00 0.00 39.48 40.31 1hbs n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hbs h PRO 44 N 3.46 0.00 0.00 -1.08 0.13 -1.77 -3.24 132.00 129.50 1hbs h PRO 44 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1hbs h PRO 44 Cb 0.72 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.76 1hbs h PRO 44 CO 0.68 0.05 -0.56 -2.39 -0.23 0.00 0.00 178.00 175.55 1hbs n HIS 45 N -3.32 0.00 -4.13 1.56 1.44 -1.26 -4.99 115.22 104.52 1hbs n HIS 45 Ca -0.01 -1.15 -0.35 0.00 -2.01 0.00 0.00 57.72 54.19 1hbs n HIS 45 Cb 0.21 -0.21 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 1hbs n HIS 45 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1hbs s PHE 46 N -2.34 3.36 -0.42 -1.40 2.19 -1.23 -5.09 117.98 113.06 1hbs s PHE 46 Ca 0.35 0.33 -0.20 0.00 0.33 0.00 0.00 56.93 57.73 1hbs s PHE 46 Cb 0.35 -1.84 0.02 0.00 -1.31 0.00 0.00 43.02 40.24 1hbs s PHE 46 CO -0.08 0.59 0.61 0.34 1.83 0.00 0.00 175.22 178.51 1hbs s ASP 47 N -1.12 6.32 -0.38 6.13 2.15 -1.26 -4.96 116.67 123.54 1hbs s ASP 47 Ca 0.16 -0.32 0.05 0.00 0.43 0.00 0.00 52.55 52.87 1hbs s ASP 47 Cb -0.12 -2.31 0.48 0.00 -0.30 0.00 0.00 42.92 40.68 1hbs s ASP 47 CO 0.05 -0.72 1.50 0.18 -0.17 0.00 0.00 175.17 176.01 1hbs n LEU 48 N 6.13 5.32 -4.77 -1.34 4.77 -1.26 -4.36 117.00 121.50 1hbs n LEU 48 Ca -0.02 -4.28 -0.29 0.00 -0.03 0.00 0.00 56.01 51.38 1hbs n LEU 48 Cb 0.48 -0.61 0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1hbs n LEU 48 CO 0.52 1.65 0.70 -0.94 -1.33 0.00 0.00 177.39 177.98 1hbs s SER 49 N -2.78 3.74 -0.10 -1.43 1.04 -1.26 -4.90 113.70 108.01 1hbs s SER 49 Ca 0.52 1.18 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 1hbs s SER 49 Cb 0.43 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 1hbs s SER 49 CO 0.01 -2.43 1.47 -2.28 0.98 0.00 0.00 173.24 170.99 1hbs s HIS 50 N -3.15 2.39 0.00 5.02 2.46 -1.26 -2.34 115.29 118.40 1hbs s HIS 50 Ca 0.63 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.73 1hbs s HIS 50 Cb -0.16 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 1hbs s HIS 50 CO 0.55 -2.87 0.00 0.41 -2.47 0.00 0.00 174.74 170.36 1hbs n GLY 51 N 3.89 2.27 1.57 1.59 0.00 -1.26 -5.06 105.19 108.18 1hbs n GLY 51 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1hbs n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hbs n SER 52 N 0.00 -0.14 0.20 1.61 3.41 -0.99 -4.80 113.62 112.91 1hbs n SER 52 Ca 0.00 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.18 1hbs n SER 52 Cb 0.00 -0.42 0.43 0.00 -0.26 0.00 0.00 64.21 63.96 1hbs n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hbs h ALA 53 N 1.13 1.30 -0.08 7.33 0.00 -1.94 -3.20 119.26 123.80 1hbs h ALA 53 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hbs h ALA 53 Cb 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1hbs h ALA 53 CO 0.29 0.40 0.05 1.96 0.00 0.00 0.00 179.25 181.94 1hbs h GLN 54 N 0.00 0.10 -0.50 0.00 4.20 -1.87 -2.54 115.11 114.50 1hbs h GLN 54 Ca -0.00 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1hbs h GLN 54 Cb 0.63 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1hbs h GLN 54 CO 0.04 0.07 -0.05 0.28 -0.67 0.00 0.00 178.83 178.50 1hbs h VAL 55 N 0.10 1.26 0.52 -0.54 2.07 -1.75 -3.00 116.25 114.92 1hbs h VAL 55 Ca 0.03 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1hbs h VAL 55 Cb -0.01 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1hbs h VAL 55 CO -0.01 0.40 -0.39 0.11 0.02 0.00 0.00 177.57 177.70 1hbs h LYS 56 N 0.81 -0.86 -0.01 1.57 1.57 -1.55 -3.10 116.57 115.00 1hbs h LYS 56 Ca 0.14 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1hbs h LYS 56 Cb 0.55 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1hbs h LYS 56 CO 0.03 -0.57 -0.03 0.41 -0.57 0.00 0.00 179.45 178.72 1hbs n GLY 57 N -1.51 -0.70 0.27 3.86 0.00 -0.96 -2.37 105.19 103.78 1hbs n GLY 57 Ca -0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1hbs n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1hbs h HIS 58 N 0.82 -0.59 0.03 1.61 -0.00 -1.51 -0.86 115.15 114.65 1hbs h HIS 58 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1hbs h HIS 58 Cb 0.24 0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1hbs h HIS 58 CO 0.00 -0.37 -0.01 0.78 -0.00 0.00 0.00 177.93 178.33 1hbs h GLY 59 N -1.11 -0.04 2.00 5.26 0.00 -1.64 10.10 103.07 117.65 1hbs h GLY 59 Ca -0.06 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1hbs h GLY 59 CO 0.11 -0.01 -0.34 1.70 0.00 0.00 0.00 176.54 177.99 1hbs h LYS 60 N -0.46 0.00 -0.09 4.80 3.64 -1.50 0.36 116.57 123.32 1hbs h LYS 60 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1hbs h LYS 60 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1hbs h LYS 60 CO 0.01 0.34 -0.73 -0.22 -2.27 0.00 0.00 179.45 176.58 1hbs h LYS 61 N 0.00 0.46 -0.03 1.90 1.63 -0.13 -2.99 116.57 117.41 1hbs h LYS 61 Ca -0.00 -0.37 -0.21 0.00 -0.85 0.00 0.00 60.65 59.21 1hbs h LYS 61 Cb 0.90 0.08 0.02 0.00 -0.60 0.00 0.00 32.23 32.62 1hbs h LYS 61 CO 0.04 1.01 -0.80 0.28 -3.45 0.00 0.00 179.45 176.53 1hbs h VAL 62 N 0.31 1.34 -0.15 2.00 2.07 2.57 -3.38 116.25 121.00 1hbs h VAL 62 Ca -0.03 -2.11 0.03 0.00 0.82 0.00 0.00 66.70 65.41 1hbs h VAL 62 Cb 1.32 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 1hbs h VAL 62 CO 0.13 0.64 -0.02 0.00 0.02 0.00 0.00 177.57 178.34 1hbs h ALA 63 N 0.40 0.12 -0.06 1.67 0.00 -0.63 -2.97 119.26 117.79 1hbs h ALA 63 Ca -0.09 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1hbs h ALA 63 Cb 1.47 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1hbs h ALA 63 CO 0.16 -0.46 0.09 -0.44 0.00 0.00 0.00 179.25 178.60 1hbs h ASP 64 N 0.03 0.00 0.11 0.00 5.19 -1.70 -0.06 116.42 119.99 1hbs h ASP 64 Ca 0.07 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1hbs h ASP 64 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1hbs h ASP 64 CO -0.14 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 175.93 1hbs h ALA 65 N 1.88 -0.46 0.00 3.45 0.00 -1.73 -2.97 119.26 119.43 1hbs h ALA 65 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1hbs h ALA 65 Cb 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hbs h ALA 65 CO -0.00 -0.45 -0.21 -0.07 0.00 0.00 0.00 179.25 178.52 1hbs h LEU 66 N -0.31 0.00 -1.19 0.00 4.07 -0.92 -2.38 115.31 114.58 1hbs h LEU 66 Ca -0.02 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 1hbs h LEU 66 Cb 0.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1hbs h LEU 66 CO 0.03 0.21 -0.07 0.74 -1.08 0.00 0.00 178.44 178.26 1hbs h THR 67 N 0.00 1.21 -0.96 0.22 2.02 -1.14 -2.84 112.91 111.42 1hbs h THR 67 Ca -0.00 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1hbs h THR 67 Cb 0.65 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 1hbs h THR 67 CO 0.03 0.29 0.63 -1.13 0.37 0.00 0.00 175.52 175.71 1hbs h ASN 68 N 0.45 1.05 0.47 4.18 -1.24 -1.26 0.49 115.58 119.72 1hbs h ASN 68 Ca 0.09 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1hbs h ASN 68 Cb 0.40 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1hbs h ASN 68 CO 0.02 0.73 -0.22 0.00 -1.29 0.00 0.00 177.43 176.67 1hbs h ALA 69 N 1.43 -0.62 -0.08 1.57 0.00 -1.61 -2.16 119.26 117.79 1hbs h ALA 69 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1hbs h ALA 69 Cb -0.03 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hbs h ALA 69 CO -0.11 -0.63 0.03 0.28 0.00 0.00 0.00 179.25 178.82 1hbs h VAL 70 N -1.07 1.16 0.00 0.00 2.07 -1.37 0.70 116.25 117.73 1hbs h VAL 70 Ca -0.06 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1hbs h VAL 70 Cb 0.56 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1hbs h VAL 70 CO 0.10 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1hbs n ALA 71 N -2.21 1.80 -1.14 1.67 0.00 0.17 -3.45 120.51 117.35 1hbs n ALA 71 Ca -0.06 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.49 1hbs n ALA 71 Cb 0.12 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.35 1hbs n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hbs n HIS 72 N -1.99 0.00 0.11 0.00 -0.00 -0.59 -4.89 115.22 107.86 1hbs n HIS 72 Ca 0.03 -1.01 0.00 0.00 -0.00 0.00 0.00 57.72 56.75 1hbs n HIS 72 Cb 0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 1hbs n HIS 72 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1hbs n VAL 73 N -1.37 0.00 -0.09 1.59 0.31 0.23 -1.91 118.33 117.10 1hbs n VAL 73 Ca 0.16 0.56 -0.12 0.00 -0.01 0.00 0.00 64.34 64.93 1hbs n VAL 73 Cb 0.65 -1.34 -0.09 0.00 -0.91 0.00 0.00 33.84 32.14 1hbs n VAL 73 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hbs n ASP 74 N -1.33 2.26 -0.98 4.52 8.00 -1.26 -4.33 116.55 123.43 1hbs n ASP 74 Ca 0.00 -0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.50 1hbs n ASP 74 Cb 0.56 -0.01 0.23 0.00 -0.02 0.00 0.00 41.12 41.88 1hbs n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hbs n ASP 75 N -2.92 2.86 -0.16 -2.24 2.03 -0.80 -4.66 116.55 110.65 1hbs n ASP 75 Ca -0.31 -2.05 -0.04 0.00 0.52 0.00 0.00 54.79 52.91 1hbs n ASP 75 Cb 0.88 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 1hbs n ASP 75 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1hbs n MET 76 N 0.95 -0.17 0.08 -0.67 2.81 -0.90 0.29 117.12 119.52 1hbs n MET 76 Ca 0.17 0.69 -0.07 0.00 -1.81 0.00 0.00 57.70 56.68 1hbs n MET 76 Cb 0.47 -1.02 0.06 0.00 -0.71 0.00 0.00 33.22 32.01 1hbs n MET 76 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1hbs h PRO 77 N 0.00 0.26 0.00 0.03 0.14 -1.91 0.59 132.00 131.11 1hbs h PRO 77 Ca 0.06 -0.22 0.00 0.00 0.14 0.00 0.00 66.00 65.99 1hbs h PRO 77 Cb 0.16 0.05 0.00 0.00 0.14 0.00 0.00 31.00 31.34 1hbs h PRO 77 CO -0.36 0.87 0.00 -0.91 0.14 0.00 0.00 178.00 177.74 1hbs h ASN 78 N 0.17 0.00 0.00 1.44 4.21 0.41 -2.55 115.58 119.27 1hbs h ASN 78 Ca -0.02 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.50 1hbs h ASN 78 Cb 1.28 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.44 1hbs h ASN 78 CO 0.11 0.00 -0.42 0.00 -1.29 0.00 0.00 177.43 175.83 1hbs h ALA 79 N 2.36 -0.86 -0.22 -0.83 0.00 0.43 0.15 119.26 120.30 1hbs h ALA 79 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hbs h ALA 79 Cb 0.66 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1hbs h ALA 79 CO 0.00 -0.98 0.00 1.28 0.00 0.00 0.00 179.25 179.55 1hbs n LEU 80 N -4.82 2.46 0.00 0.00 4.32 0.06 -4.68 117.00 114.34 1hbs n LEU 80 Ca -0.06 -1.24 0.00 0.00 -0.02 0.00 0.00 56.01 54.69 1hbs n LEU 80 Cb 0.31 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1hbs n LEU 80 CO 0.10 0.38 0.00 -0.24 -1.22 0.00 0.00 177.39 176.41 1hbs n SER 81 N 0.23 0.00 0.16 -1.43 2.88 0.53 -2.24 113.62 113.75 1hbs n SER 81 Ca 0.10 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.82 1hbs n SER 81 Cb 0.52 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.77 1hbs n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hbs h ALA 82 N 0.00 1.96 0.00 -1.46 0.00 -1.83 -2.50 119.26 115.43 1hbs h ALA 82 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1hbs h ALA 82 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1hbs h ALA 82 CO 0.00 -0.42 -1.36 -0.07 0.00 0.00 0.00 179.25 177.40 1hbs h LEU 83 N 0.00 0.00 0.33 0.00 3.38 -1.82 -3.18 115.31 114.02 1hbs h LEU 83 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1hbs h LEU 83 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1hbs h LEU 83 CO -0.00 0.73 -0.18 -1.28 0.09 0.00 0.00 178.44 177.80 1hbs h SER 84 N 0.00 -0.45 -0.27 -0.43 0.87 -1.33 -1.70 113.55 110.24 1hbs h SER 84 Ca -0.17 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1hbs h SER 84 Cb 1.71 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 1hbs h SER 84 CO 0.07 -0.30 0.18 0.44 -0.53 0.00 0.00 176.83 176.69 1hbs h ASP 85 N -0.48 0.11 0.00 6.23 5.19 -1.48 -3.19 116.42 122.80 1hbs h ASP 85 Ca -0.04 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1hbs h ASP 85 Cb 0.39 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1hbs h ASP 85 CO 0.05 0.08 0.00 -0.11 -3.12 0.00 0.00 179.24 176.14 1hbs n LEU 86 N -4.48 0.29 0.27 1.55 7.94 -1.09 -1.66 117.00 119.81 1hbs n LEU 86 Ca 0.03 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.60 1hbs n LEU 86 Cb 0.25 -0.10 0.73 0.00 0.53 0.00 0.00 43.42 44.83 1hbs n LEU 86 CO 0.35 -0.10 0.98 0.45 -1.11 0.00 0.00 177.39 177.95 1hbs h HIS 87 N 0.00 0.00 -0.14 1.96 3.86 -1.43 -1.77 115.15 117.63 1hbs h HIS 87 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1hbs h HIS 87 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1hbs h HIS 87 CO 0.04 0.11 -0.76 0.00 0.86 0.00 0.00 177.93 178.18 1hbs h ALA 88 N 1.89 0.39 0.00 2.45 0.00 -1.67 0.68 119.26 123.01 1hbs h ALA 88 Ca -0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 54.91 54.01 1hbs h ALA 88 Cb 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1hbs h ALA 88 CO 0.01 0.71 -2.14 0.72 0.00 0.00 0.00 179.25 178.55 1hbs n HIS 89 N -3.91 0.00 0.00 0.00 8.25 -0.67 -4.44 115.22 114.45 1hbs n HIS 89 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1hbs n HIS 89 Cb 0.73 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.70 0.00 0.19 -0.41 4.81 -0.68 -4.65 118.16 114.71 1hbs n LYS 90 Ca -0.29 0.24 0.12 0.00 -0.87 0.00 0.00 58.31 57.51 1hbs n LYS 90 Cb 1.01 -0.77 0.20 0.00 0.02 0.00 0.00 35.03 35.48 1hbs n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1hbs h LEU 91 N 0.00 0.00 -2.77 3.14 3.38 -1.69 -3.49 115.31 113.89 1hbs h LEU 91 Ca 0.00 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1hbs h LEU 91 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hbs h LEU 91 CO 0.00 0.00 -0.23 0.54 0.09 0.00 0.00 178.44 178.84 1hbs n ARG 92 N -2.90 -0.51 -2.32 1.13 3.00 0.24 -4.77 116.66 110.52 1hbs n ARG 92 Ca 0.04 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.85 57.43 1hbs n ARG 92 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 32.46 32.71 1hbs n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1hbs s VAL 93 N -3.03 4.06 0.51 1.55 1.01 -1.19 -4.99 120.40 118.32 1hbs s VAL 93 Ca 0.03 1.33 -0.23 0.00 0.00 0.00 0.00 61.98 63.11 1hbs s VAL 93 Cb -0.02 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1hbs s VAL 93 CO 0.20 -0.08 1.40 -0.67 0.00 0.00 0.00 175.10 175.95 1hbs n ASP 94 N 6.32 3.02 -0.12 3.32 4.64 -1.26 -4.72 116.55 127.75 1hbs n ASP 94 Ca 0.14 1.04 0.27 0.00 -1.38 0.00 0.00 54.79 54.87 1hbs n ASP 94 Cb 0.44 -1.60 0.70 0.00 -1.04 0.00 0.00 41.12 39.63 1hbs n ASP 94 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1hbs h PRO 95 N 1.83 0.00 0.00 -0.67 0.13 -2.00 -0.37 132.00 130.91 1hbs h PRO 95 Ca -0.51 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 1hbs h PRO 95 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1hbs h PRO 95 CO 0.59 0.00 -0.36 -0.24 -0.23 0.00 0.00 178.00 177.75 1hbs h VAL 96 N 0.00 0.82 0.00 1.56 3.04 -2.03 -3.02 116.25 116.62 1hbs h VAL 96 Ca 0.39 -1.54 -0.06 0.00 -1.01 0.00 0.00 66.70 64.48 1hbs h VAL 96 Cb 1.80 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 33.04 1hbs h VAL 96 CO -0.00 0.36 -0.27 0.78 -1.01 0.00 0.00 177.57 177.42 1hbs h ASN 97 N 0.00 0.00 -0.27 3.17 4.21 -1.40 -3.26 115.58 118.02 1hbs h ASN 97 Ca -0.00 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.55 1hbs h ASN 97 Cb 0.94 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.06 1hbs h ASN 97 CO 0.05 0.27 -0.53 -0.26 -1.29 0.00 0.00 177.43 175.66 1hbs h PHE 98 N 0.00 -1.61 -0.13 1.19 0.04 -1.65 2.21 116.94 117.00 1hbs h PHE 98 Ca -0.00 0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.88 1hbs h PHE 98 Cb 1.20 0.74 -0.01 0.00 2.20 0.00 0.00 35.95 40.08 1hbs h PHE 98 CO 0.00 -0.51 0.45 -0.22 -0.60 0.00 0.00 178.31 177.43 1hbs h LYS 99 N -0.48 0.00 0.10 1.51 3.64 -1.70 0.60 116.57 120.24 1hbs h LYS 99 Ca 0.06 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.09 1hbs h LYS 99 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1hbs h LYS 99 CO -0.52 0.00 -1.96 1.28 -2.27 0.00 0.00 179.45 175.99 1hbs n LEU 100 N -3.06 2.56 -0.01 5.20 4.77 0.25 -3.98 117.00 122.73 1hbs n LEU 100 Ca 0.01 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 1hbs n LEU 100 Cb 0.53 -1.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1hbs n LEU 100 CO 0.16 0.79 0.27 0.25 -1.33 0.00 0.00 177.39 177.53 1hbs h LEU 101 N -0.08 0.79 -1.20 2.23 7.12 0.59 -3.35 115.31 121.41 1hbs h LEU 101 Ca -0.43 -0.66 0.27 0.00 0.13 0.00 0.00 57.88 57.18 1hbs h LEU 101 Cb 1.93 -0.24 -0.11 0.00 -0.53 0.00 0.00 40.66 41.71 1hbs h LEU 101 CO 0.03 1.33 0.64 -1.28 -0.13 0.00 0.00 178.44 179.03 1hbs h SER 102 N 0.31 0.54 -0.47 1.25 0.87 -0.09 -3.33 113.55 112.64 1hbs h SER 102 Ca -0.06 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 1hbs h SER 102 Cb 1.35 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1hbs h SER 102 CO 0.14 0.08 -0.11 -0.74 -0.53 0.00 0.00 176.83 175.67 1hbs h HIS 103 N 0.46 1.02 0.00 2.24 -0.00 -1.69 -3.26 115.15 113.92 1hbs h HIS 103 Ca 0.63 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 1hbs h HIS 103 Cb 1.43 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1hbs h HIS 103 CO -0.00 0.99 -0.02 0.00 -0.00 0.00 0.00 177.93 178.90 1hbs h LEU 105 N 0.00 0.14 0.00 0.00 6.46 -1.67 -3.03 115.31 117.21 1hbs h LEU 105 Ca 0.00 -0.56 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 1hbs h LEU 105 Cb 0.64 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1hbs h LEU 105 CO 0.00 0.67 0.00 -0.11 -0.62 0.00 0.00 178.44 178.38 1hbs n LEU 106 N -4.71 0.00 -0.30 2.25 7.94 -1.25 0.22 117.00 121.16 1hbs n LEU 106 Ca -0.08 0.65 0.03 0.00 -1.11 0.00 0.00 56.01 55.49 1hbs n LEU 106 Cb 0.33 -0.15 0.17 0.00 0.53 0.00 0.00 43.42 44.30 1hbs n LEU 106 CO 0.36 -0.15 1.15 -0.37 -1.11 0.00 0.00 177.39 177.27 1hbs h VAL 107 N 0.00 0.93 0.07 1.96 -1.51 -1.52 34.30 116.25 150.48 1hbs h VAL 107 Ca 0.00 -0.28 -0.26 0.00 -1.23 0.00 0.00 66.70 64.93 1hbs h VAL 107 Cb 0.00 0.03 0.01 0.00 -2.13 0.00 0.00 31.29 29.20 1hbs h VAL 107 CO 0.00 0.15 -1.11 0.74 -1.23 0.00 0.00 177.57 176.12 1hbs h THR 108 N 0.82 1.39 0.18 7.19 2.02 -1.30 -2.67 112.91 120.55 1hbs h THR 108 Ca 0.40 -2.61 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 1hbs h THR 108 Cb 0.34 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1hbs h THR 108 CO -0.24 0.78 -0.18 0.25 0.37 0.00 0.00 175.52 176.50 1hbs h LEU 109 N 0.21 -0.49 -0.49 2.58 7.12 0.42 -2.74 115.31 121.91 1hbs h LEU 109 Ca -0.13 0.04 0.07 0.00 0.13 0.00 0.00 57.88 57.99 1hbs h LEU 109 Cb 1.78 0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 42.00 1hbs h LEU 109 CO 0.20 -0.24 -0.20 0.00 -0.13 0.00 0.00 178.44 178.06 1hbs n ALA 110 N -2.45 -0.09 -0.17 1.25 0.00 10.18 -3.36 120.51 125.87 1hbs n ALA 110 Ca -0.04 0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.96 1hbs n ALA 110 Cb 0.17 -0.20 0.29 0.00 0.00 0.00 0.00 19.45 19.70 1hbs n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hbs n ALA 111 N -3.73 2.98 -1.22 0.00 0.00 -1.20 -3.81 120.51 113.54 1hbs n ALA 111 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1hbs n ALA 111 Cb 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.87 0.00 -3.32 0.00 -0.00 -1.03 -4.95 115.22 106.79 1hbs n HIS 112 Ca 0.21 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.70 1hbs n HIS 112 Cb 0.74 0.01 -0.09 0.00 -0.00 0.00 0.00 29.99 30.66 1hbs n HIS 112 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1hbs s LEU 113 N 0.00 0.77 0.48 2.41 1.43 -1.21 -5.02 118.68 117.53 1hbs s LEU 113 Ca 0.00 -2.56 0.22 0.00 -1.03 0.00 0.00 54.13 50.76 1hbs s LEU 113 Cb 0.00 0.00 1.25 0.00 0.03 0.00 0.00 46.19 47.47 1hbs s LEU 113 CO 0.00 -0.19 1.94 -0.65 0.23 0.00 0.00 176.35 177.68 1hbs h PRO 114 N 5.97 0.19 0.00 1.29 0.11 -1.94 -3.32 132.00 134.30 1hbs h PRO 114 Ca 0.18 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1hbs h PRO 114 Cb 0.96 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1hbs h PRO 114 CO 0.28 0.12 -1.00 0.00 -0.21 0.00 0.00 178.00 177.20 1hbs n ALA 115 N -2.59 2.28 -0.08 -0.75 0.00 -1.26 -4.90 120.51 113.21 1hbs n ALA 115 Ca 0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 1hbs n ALA 115 Cb 0.62 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 20.34 1hbs n ALA 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1hbs h GLU 116 N -0.37 -0.06 -3.66 0.00 4.39 -1.97 -3.40 114.58 109.52 1hbs h GLU 116 Ca -0.14 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.15 1hbs h GLU 116 Cb 0.82 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1hbs h GLU 116 CO -0.08 -0.04 2.50 0.34 -1.16 0.00 0.00 179.01 180.56 1hbs n PHE 117 N -5.30 1.42 -2.20 4.33 7.35 -1.25 -4.90 117.46 116.91 1hbs n PHE 117 Ca 0.00 -1.88 -0.34 0.00 -0.76 0.00 0.00 57.45 54.47 1hbs n PHE 117 Cb 0.21 -1.64 0.00 0.00 0.35 0.00 0.00 39.48 38.40 1hbs n PHE 117 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1hbs s THR 118 N 3.77 3.53 -0.60 -2.13 -1.32 -1.26 -4.56 115.64 113.07 1hbs s THR 118 Ca 0.42 0.85 0.25 0.00 -1.21 0.00 0.00 61.69 61.99 1hbs s THR 118 Cb 0.11 -3.33 0.31 0.00 -1.51 0.00 0.00 72.50 68.08 1hbs s THR 118 CO -0.00 -0.31 1.71 1.55 -2.21 0.00 0.00 174.62 175.36 1hbs h PRO 119 N 0.91 0.00 0.97 7.08 0.14 -1.95 11.53 132.00 150.67 1hbs h PRO 119 Ca -0.48 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 65.61 1hbs h PRO 119 Cb 1.24 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.38 1hbs h PRO 119 CO 0.57 0.00 -0.48 0.00 0.14 0.00 0.00 178.00 178.23 1hbs h ALA 120 N 2.29 -1.35 -0.34 -0.56 0.00 -1.99 -2.14 119.26 115.18 1hbs h ALA 120 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1hbs h ALA 120 Cb 0.84 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1hbs h ALA 120 CO 0.00 -1.26 0.21 0.28 0.00 0.00 0.00 179.25 178.48 1hbs h VAL 121 N -1.31 1.11 -0.92 0.00 2.07 -0.65 -3.17 116.25 113.37 1hbs h VAL 121 Ca -0.13 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1hbs h VAL 121 Cb 1.01 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1hbs h VAL 121 CO 0.21 0.11 0.60 -0.74 0.02 0.00 0.00 177.57 177.76 1hbs h HIS 122 N 0.45 1.03 0.00 1.57 6.17 2.53 -2.74 115.15 124.15 1hbs h HIS 122 Ca 0.12 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.12 1hbs h HIS 122 Cb -0.01 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 29.57 1hbs h HIS 122 CO -0.04 0.48 -0.51 0.00 0.71 0.00 0.00 177.93 178.56 1hbs h ALA 123 N 1.53 0.90 -0.38 5.26 0.00 -1.35 -0.49 119.26 124.73 1hbs h ALA 123 Ca 0.42 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1hbs h ALA 123 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hbs h ALA 123 CO -0.18 0.64 -0.20 1.03 0.00 0.00 0.00 179.25 180.53 1hbs h SER 124 N 0.00 0.75 0.00 0.00 0.87 -1.53 -3.32 113.55 110.31 1hbs h SER 124 Ca -0.01 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1hbs h SER 124 Cb 1.08 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1hbs h SER 124 CO 0.07 0.94 0.00 0.18 -0.53 0.00 0.00 176.83 177.49 1hbs n LEU 125 N -4.12 2.11 -0.35 2.23 7.99 -1.22 -2.94 117.00 120.68 1hbs n LEU 125 Ca 0.00 0.09 0.33 0.00 -0.01 0.00 0.00 56.01 56.43 1hbs n LEU 125 Cb 0.42 0.00 0.59 0.00 -0.11 0.00 0.00 43.42 44.31 1hbs n LEU 125 CO 0.44 0.00 1.05 -0.67 -1.51 0.00 0.00 177.39 176.70 1hbs n ASP 126 N -0.44 0.28 -0.08 -1.43 2.03 -0.19 -1.23 116.55 115.48 1hbs n ASP 126 Ca 0.00 1.47 -0.07 0.00 0.52 0.00 0.00 54.79 56.71 1hbs n ASP 126 Cb 0.00 -0.72 -0.00 0.00 -0.72 0.00 0.00 41.12 39.68 1hbs n ASP 126 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1hbs h LYS 127 N 0.00 0.12 0.15 -0.67 1.57 -1.72 -2.92 116.57 113.10 1hbs h LYS 127 Ca 0.81 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 59.26 1hbs h LYS 127 Cb 2.32 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.60 1hbs h LYS 127 CO -0.62 0.08 -1.60 0.27 -0.57 0.00 0.00 179.45 177.00 1hbs h PHE 128 N 0.12 0.57 0.00 -1.35 -5.15 -1.05 -3.27 116.94 106.82 1hbs h PHE 128 Ca 0.14 -0.42 -0.02 0.00 -0.20 0.00 0.00 57.97 57.47 1hbs h PHE 128 Cb 0.17 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.31 1hbs h PHE 128 CO -0.19 1.49 -0.09 1.25 -2.00 0.00 0.00 178.31 178.77 1hbs h LEU 129 N 0.09 0.00 0.12 2.10 7.12 -1.45 -1.23 115.31 122.05 1hbs h LEU 129 Ca -0.28 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.46 1hbs h LEU 129 Cb 2.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.19 1hbs h LEU 129 CO 0.17 0.09 -1.23 0.00 -0.13 0.00 0.00 178.44 177.34 1hbs h ALA 130 N 1.91 0.11 0.08 1.25 0.00 -1.56 4.75 119.26 125.80 1hbs h ALA 130 Ca -0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 54.91 53.77 1hbs h ALA 130 Cb 0.48 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hbs h ALA 130 CO 0.01 0.98 -1.04 0.77 0.00 0.00 0.00 179.25 179.98 1hbs h SER 131 N 0.07 0.77 0.34 0.00 0.02 -1.55 0.00 113.55 113.20 1hbs h SER 131 Ca -0.13 -0.81 -0.01 0.00 -0.84 0.00 0.00 61.79 60.00 1hbs h SER 131 Cb 1.96 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1hbs h SER 131 CO 0.20 1.50 -0.28 0.58 -1.14 0.00 0.00 176.83 177.69 1hbs h VAL 132 N 0.14 0.00 0.00 2.27 2.07 -1.27 5.51 116.25 124.97 1hbs h VAL 132 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1hbs h VAL 132 Cb 1.73 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1hbs h VAL 132 CO 0.20 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.25 1hbs n SER 133 N -4.09 0.14 -0.03 0.57 3.41 1.55 -1.97 113.62 113.21 1hbs n SER 133 Ca -0.07 0.54 -0.20 0.00 -0.26 0.00 0.00 58.87 58.88 1hbs n SER 133 Cb 0.27 -0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 1hbs n SER 133 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1hbs h THR 134 N 0.00 1.21 -0.82 6.66 2.02 0.61 -3.13 112.91 119.47 1hbs h THR 134 Ca 0.00 -2.35 0.08 0.00 0.77 0.00 0.00 66.41 64.91 1hbs h THR 134 Cb 0.18 2.79 -0.11 0.00 -1.74 0.00 0.00 68.15 69.27 1hbs h THR 134 CO 0.00 0.59 -0.57 0.58 0.37 0.00 0.00 175.52 176.50 1hbs h VAL 135 N -0.62 0.00 -0.58 3.16 2.07 1.18 1.20 116.25 122.67 1hbs h VAL 135 Ca -0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1hbs h VAL 135 Cb 1.48 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1hbs h VAL 135 CO -0.01 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.81 1hbs h LEU 136 N -0.12 0.72 -0.25 2.57 3.38 -1.77 0.42 115.31 120.26 1hbs h LEU 136 Ca 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1hbs h LEU 136 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hbs h LEU 136 CO -0.84 0.60 -0.44 0.41 0.09 0.00 0.00 178.44 178.26 1hbs n THR 137 N -4.38 0.00 -0.24 0.22 -1.04 0.27 -4.51 114.28 104.61 1hbs n THR 137 Ca 0.05 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1hbs n THR 137 Cb 0.11 0.42 0.10 0.00 -1.82 0.00 0.00 70.33 69.13 1hbs n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1hbs h SER 138 N 0.60 0.60 -0.46 8.00 0.02 0.60 -3.28 113.55 119.63 1hbs h SER 138 Ca 0.00 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1hbs h SER 138 Cb 0.52 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1hbs h SER 138 CO 0.00 0.39 0.11 0.29 -1.14 0.00 0.00 176.83 176.48 1hbs n LYS 139 N -4.75 3.22 0.00 3.45 5.02 -1.26 -4.64 118.16 119.20 1hbs n LYS 139 Ca 0.08 -2.11 -0.10 0.00 -2.02 0.00 0.00 58.31 54.17 1hbs n LYS 139 Cb 0.15 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.16 1hbs n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hbs h TYR 140 N 2.22 -0.64 0.00 2.13 0.99 -1.88 -3.47 116.97 116.33 1hbs h TYR 140 Ca 0.10 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1hbs h TYR 140 Cb 1.69 0.30 0.00 0.00 1.00 0.00 0.00 36.73 39.72 1hbs h TYR 140 CO 0.82 -0.32 0.00 2.89 -0.00 0.00 0.00 178.16 181.55