#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dke s LEU 2 N 0.00 4.31 0.73 1.34 1.43 -1.26 -5.03 118.68 120.20 1dke s LEU 2 Ca 0.00 2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 55.02 1dke s LEU 2 Cb 0.00 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1dke s LEU 2 CO 0.00 -0.63 1.06 -0.94 0.23 0.00 0.00 176.35 176.07 1dke s SER 3 N 1.56 4.76 0.28 2.29 1.04 -1.26 -4.84 113.70 117.53 1dke s SER 3 Ca 0.60 0.56 -0.00 0.00 0.48 0.00 0.00 55.95 57.59 1dke s SER 3 Cb -0.29 -1.18 0.49 0.00 0.10 0.00 0.00 66.02 65.14 1dke s SER 3 CO 0.25 -1.66 1.86 -0.65 0.98 0.00 0.00 173.24 174.02 1dke h PRO 4 N -0.71 1.05 -0.35 4.02 0.11 -2.00 -0.83 132.00 133.29 1dke h PRO 4 Ca -0.45 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1dke h PRO 4 Cb 1.32 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1dke h PRO 4 CO 0.62 0.70 -0.24 0.00 -0.21 0.00 0.00 178.00 178.87 1dke h ALA 5 N 1.50 0.93 0.29 -0.75 0.00 -1.99 -1.74 119.26 117.50 1dke h ALA 5 Ca 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dke h ALA 5 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dke h ALA 5 CO -0.22 0.61 -0.28 -0.44 0.00 0.00 0.00 179.25 178.92 1dke h ASP 6 N 0.60 -0.75 -0.27 0.00 3.32 -1.55 0.89 116.42 118.65 1dke h ASP 6 Ca 0.08 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1dke h ASP 6 Cb 0.72 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1dke h ASP 6 CO 0.06 -0.41 -0.11 0.11 -1.72 0.00 0.00 179.24 177.17 1dke h LYS 7 N -0.60 -0.07 -0.28 3.56 1.57 -0.95 0.22 116.57 120.02 1dke h LYS 7 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1dke h LYS 7 Cb 0.55 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1dke h LYS 7 CO -0.05 -0.04 0.14 1.15 -0.57 0.00 0.00 179.45 180.07 1dke h THR 8 N -0.07 0.98 -0.53 -0.16 2.02 -1.02 -2.31 112.91 111.83 1dke h THR 8 Ca 0.14 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 1dke h THR 8 Cb 0.28 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1dke h THR 8 CO -0.32 0.05 -0.10 0.78 0.37 0.00 0.00 175.52 176.30 1dke h ASN 9 N 0.29 0.98 -0.58 4.18 2.35 0.18 -2.43 115.58 120.55 1dke h ASN 9 Ca 0.12 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1dke h ASN 9 Cb 0.04 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1dke h ASN 9 CO -0.09 1.09 0.30 0.58 -1.65 0.00 0.00 177.43 177.67 1dke h VAL 10 N 0.88 1.20 -0.63 2.81 2.07 -0.42 -1.92 116.25 120.24 1dke h VAL 10 Ca 0.14 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1dke h VAL 10 Cb 0.65 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1dke h VAL 10 CO 0.05 0.22 0.09 0.11 0.02 0.00 0.00 177.57 178.05 1dke h LYS 11 N 0.79 1.05 0.15 1.57 1.57 -1.42 0.23 116.57 120.51 1dke h LYS 11 Ca 0.20 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1dke h LYS 11 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1dke h LYS 11 CO -0.03 0.98 -0.12 0.00 -0.57 0.00 0.00 179.45 179.71 1dke h ALA 12 N 1.02 -0.26 0.30 3.86 0.00 -1.30 -0.44 119.26 122.44 1dke h ALA 12 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1dke h ALA 12 Cb 0.45 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dke h ALA 12 CO 0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 179.25 178.44 1dke h ALA 13 N 0.55 -0.43 -0.28 0.00 0.00 -1.10 -2.29 119.26 115.71 1dke h ALA 13 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1dke h ALA 13 Cb 0.26 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1dke h ALA 13 CO -0.01 -0.74 0.19 2.35 0.00 0.00 0.00 179.25 181.03 1dke h TRP 14 N -0.43 0.30 -0.46 0.00 2.91 -0.46 -1.89 115.95 115.92 1dke h TRP 14 Ca -0.04 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.88 1dke h TRP 14 Cb 0.35 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 1dke h TRP 14 CO -0.07 0.18 -0.15 0.78 -1.03 0.00 0.00 178.44 178.15 1dke h GLY 15 N 0.31 0.99 0.93 2.65 0.00 -0.88 -1.96 103.07 105.12 1dke h GLY 15 Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 47.33 46.62 1dke h GLY 15 CO -0.02 0.77 0.58 1.70 0.00 0.00 0.00 176.54 179.57 1dke h LYS 16 N 0.76 1.12 -0.76 4.80 1.63 -0.79 -1.81 116.57 121.52 1dke h LYS 16 Ca 0.11 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1dke h LYS 16 Cb 0.71 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1dke h LYS 16 CO 0.05 0.74 0.50 0.28 -3.45 0.00 0.00 179.45 177.58 1dke h VAL 17 N 1.16 1.19 0.00 2.00 2.07 -0.90 -3.45 116.25 118.32 1dke h VAL 17 Ca 0.34 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1dke h VAL 17 Cb -0.06 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1dke h VAL 17 CO -0.10 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1dke n GLY 18 N -1.31 2.41 0.02 2.17 0.00 -0.68 -1.46 105.19 106.34 1dke n GLY 18 Ca 0.07 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1dke n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dke n ALA 19 N 9.24 1.41 1.27 4.61 0.00 -1.26 -2.09 120.51 133.68 1dke n ALA 19 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.48 1dke n ALA 19 Cb 0.00 -1.17 0.18 0.00 0.00 0.00 0.00 19.45 18.46 1dke n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dke n HIS 20 N -1.58 0.29 -0.09 0.00 -0.00 -0.53 -4.54 115.22 108.77 1dke n HIS 20 Ca 0.02 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.72 57.51 1dke n HIS 20 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.08 1dke n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dke h ALA 21 N 3.55 -0.18 -0.78 -1.41 0.00 -1.53 -2.09 119.26 116.82 1dke h ALA 21 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1dke h ALA 21 Cb 0.33 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1dke h ALA 21 CO 0.00 -0.71 0.49 0.78 0.00 0.00 0.00 179.25 179.81 1dke h GLY 22 N -0.27 1.15 1.05 0.00 0.00 -1.84 1.00 103.07 104.17 1dke h GLY 22 Ca 0.16 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1dke h GLY 22 CO -0.48 0.29 0.09 -2.09 0.00 0.00 0.00 176.54 174.35 1dke h GLU 23 N 0.94 1.05 -0.20 4.80 4.81 -1.78 -0.27 114.58 123.93 1dke h GLU 23 Ca 0.32 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1dke h GLU 23 Cb 0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1dke h GLU 23 CO -0.13 0.98 -0.54 1.88 -0.73 0.00 0.00 179.01 180.47 1dke h TYR 24 N 0.96 0.71 -0.45 0.92 0.99 -0.70 0.12 116.97 119.53 1dke h TYR 24 Ca 0.19 -0.25 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1dke h TYR 24 Cb 0.45 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.02 1dke h TYR 24 CO 0.03 0.98 0.17 0.78 -0.00 0.00 0.00 178.16 180.13 1dke h GLY 25 N 1.04 0.73 1.00 3.88 0.00 -0.55 0.16 103.07 109.32 1dke h GLY 25 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1dke h GLY 25 CO 0.10 0.38 0.14 0.00 0.00 0.00 0.00 176.54 177.16 1dke h ALA 26 N 1.02 0.72 -0.59 3.60 0.00 -0.61 -2.64 119.26 120.76 1dke h ALA 26 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1dke h ALA 26 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1dke h ALA 26 CO -0.01 0.42 0.04 1.49 0.00 0.00 0.00 179.25 181.18 1dke h GLU 27 N 0.77 1.02 -0.60 0.00 4.81 -0.49 -1.26 114.58 118.83 1dke h GLU 27 Ca 0.17 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1dke h GLU 27 Cb 0.34 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1dke h GLU 27 CO 0.00 0.99 0.34 0.00 -0.73 0.00 0.00 179.01 179.61 1dke h ALA 28 N 0.99 1.47 -0.25 2.92 0.00 -0.50 0.11 119.26 124.01 1dke h ALA 28 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dke h ALA 28 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1dke h ALA 28 CO 0.02 0.45 0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1dke h LEU 29 N 0.83 0.39 -0.78 0.00 3.38 -1.11 0.20 115.31 118.22 1dke h LEU 29 Ca 0.22 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1dke h LEU 29 Cb -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1dke h LEU 29 CO -0.04 0.56 0.13 -0.08 0.09 0.00 0.00 178.44 179.10 1dke h GLU 30 N 0.21 1.05 -0.83 1.13 4.81 -0.77 -0.09 114.58 120.10 1dke h GLU 30 Ca 0.07 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1dke h GLU 30 Cb 0.33 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1dke h GLU 30 CO 0.01 0.95 0.54 0.00 -0.73 0.00 0.00 179.01 179.78 1dke h ARG 31 N 0.99 0.98 0.39 1.92 3.08 -0.46 -2.35 114.38 118.92 1dke h ARG 31 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1dke h ARG 31 Cb 0.39 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1dke h ARG 31 CO 0.01 0.65 -0.21 1.98 -1.07 0.00 0.00 179.97 181.33 1dke h MET 32 N 1.01 -0.53 -0.12 0.04 4.05 0.38 -2.51 114.93 117.25 1dke h MET 32 Ca 0.33 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.82 1dke h MET 32 Cb 0.06 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1dke h MET 32 CO -0.10 -0.35 0.12 0.74 0.23 0.00 0.00 176.91 177.54 1dke h PHE 33 N -0.55 0.00 0.11 1.39 0.04 -0.92 0.86 116.94 117.87 1dke h PHE 33 Ca -0.05 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.40 1dke h PHE 33 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1dke h PHE 33 CO 0.09 0.00 -1.66 -0.07 -0.60 0.00 0.00 178.31 176.07 1dke h LEU 34 N 0.00 0.37 -0.14 1.54 3.38 -1.42 -3.31 115.31 115.73 1dke h LEU 34 Ca 0.06 -0.59 -0.23 0.00 0.09 0.00 0.00 57.88 57.21 1dke h LEU 34 Cb 0.29 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1dke h LEU 34 CO -0.00 1.50 -0.85 0.28 0.09 0.00 0.00 178.44 179.46 1dke h SER 35 N 0.06 0.88 -2.46 -0.43 0.02 -1.14 -3.40 113.55 107.09 1dke h SER 35 Ca -0.29 -0.61 -0.59 0.00 -0.84 0.00 0.00 61.79 59.45 1dke h SER 35 Cb 2.03 -0.26 -0.39 0.00 0.14 0.00 0.00 62.40 63.91 1dke h SER 35 CO 0.14 1.41 -0.89 0.49 -1.14 0.00 0.00 176.83 176.84 1dke n PHE 36 N -3.90 0.30 0.19 3.45 0.99 0.27 -5.01 117.46 113.75 1dke n PHE 36 Ca -0.08 -3.61 0.18 0.00 -0.00 0.00 0.00 57.45 53.95 1dke n PHE 36 Cb 0.78 -0.06 0.79 0.00 -1.00 0.00 0.00 39.48 39.99 1dke n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1dke h PRO 37 N 5.26 0.00 0.00 -1.08 0.11 -1.77 -2.26 132.00 132.26 1dke h PRO 37 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1dke h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1dke h PRO 37 CO 0.48 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.03 1dke h THR 38 N 0.00 0.76 -0.04 -1.15 1.35 -1.94 -1.73 112.91 110.16 1dke h THR 38 Ca 0.11 -0.14 0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1dke h THR 38 Cb 0.84 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1dke h THR 38 CO -0.00 0.04 0.03 0.71 -0.25 0.00 0.00 175.52 176.05 1dke h THR 39 N 0.00 0.80 0.00 6.82 1.35 -1.77 -1.91 112.91 118.20 1dke h THR 39 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dke h THR 39 Cb 0.08 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1dke h THR 39 CO 0.00 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.37 1dke h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.77 116.57 118.56 1dke h LYS 40 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dke h LYS 40 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1dke h LYS 40 CO -0.00 0.02 0.06 1.79 -0.57 0.00 0.00 179.45 180.75 1dke h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.52 0.22 112.91 112.80 1dke h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dke h THR 41 Cb 0.13 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1dke h THR 41 CO 0.00 0.00 -0.32 -1.22 -0.25 0.00 0.00 175.52 173.73 1dke n TYR 42 N -2.64 0.00 -2.70 4.73 4.01 -1.05 -4.24 117.16 115.28 1dke n TYR 42 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1dke n TYR 42 Cb 0.11 -0.33 -0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1dke n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1dke n PHE 43 N -1.46 2.65 0.26 -0.72 3.01 0.79 -4.96 117.46 117.02 1dke n PHE 43 Ca 0.06 -3.30 0.10 0.00 1.01 0.00 0.00 57.45 55.33 1dke n PHE 43 Cb 0.33 -0.27 0.68 0.00 -0.01 0.00 0.00 39.48 40.21 1dke n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dke h PRO 44 N 2.81 0.00 -0.32 -1.08 0.13 -1.74 -2.32 132.00 129.49 1dke h PRO 44 Ca 0.15 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.13 1dke h PRO 44 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.95 1dke h PRO 44 CO 0.72 0.11 -0.07 0.72 -0.23 0.00 0.00 178.00 179.25 1dke n HIS 45 N -3.99 1.00 -3.97 1.56 8.25 -1.26 -4.99 115.22 111.83 1dke n HIS 45 Ca -0.02 -1.47 -0.30 0.00 -0.26 0.00 0.00 57.72 55.66 1dke n HIS 45 Cb 0.20 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 30.81 1dke n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1dke s PHE 46 N -3.17 3.39 -0.36 4.41 0.08 -0.87 -5.06 117.98 116.39 1dke s PHE 46 Ca 0.44 0.17 -0.24 0.00 0.12 0.00 0.00 56.93 57.42 1dke s PHE 46 Cb 0.39 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.15 1dke s PHE 46 CO 0.01 0.56 0.80 0.34 -0.10 0.00 0.00 175.22 176.83 1dke s ASP 47 N -2.54 6.58 -0.24 1.36 -1.08 -1.26 -4.93 116.67 114.57 1dke s ASP 47 Ca 0.33 0.42 0.14 0.00 -0.52 0.00 0.00 52.55 52.92 1dke s ASP 47 Cb -0.12 -2.41 0.64 0.00 -1.46 0.00 0.00 42.92 39.57 1dke s ASP 47 CO 0.26 -0.73 1.58 0.18 0.52 0.00 0.00 175.17 176.98 1dke n LEU 48 N 6.43 4.81 -4.72 -1.34 4.77 -1.26 -4.41 117.00 121.28 1dke n LEU 48 Ca 0.04 -3.13 -0.30 0.00 -0.03 0.00 0.00 56.01 52.59 1dke n LEU 48 Cb 0.48 -0.63 0.14 0.00 -2.33 0.00 0.00 43.42 41.08 1dke n LEU 48 CO 0.54 0.75 0.67 -0.94 -1.33 0.00 0.00 177.39 177.08 1dke s SER 49 N -1.56 3.43 0.17 -1.43 1.04 -1.26 -4.90 113.70 109.19 1dke s SER 49 Ca 0.48 1.47 -0.32 0.00 0.48 0.00 0.00 55.95 58.07 1dke s SER 49 Cb 0.39 -2.15 -0.11 0.00 0.10 0.00 0.00 66.02 64.25 1dke s SER 49 CO 0.10 -2.67 1.69 -2.28 0.98 0.00 0.00 173.24 171.07 1dke s HIS 50 N -2.93 2.79 0.00 5.02 2.46 -1.26 -2.33 115.29 119.04 1dke s HIS 50 Ca 0.64 0.37 0.00 0.00 0.47 0.00 0.00 55.06 56.53 1dke s HIS 50 Cb -0.18 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 1dke s HIS 50 CO 0.57 -4.10 0.00 0.41 -2.47 0.00 0.00 174.74 169.15 1dke n GLY 51 N 3.95 0.83 3.75 1.59 0.00 -1.26 -5.02 105.19 109.04 1dke n GLY 51 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1dke n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dke s SER 52 N -2.85 5.41 0.49 1.61 0.15 -0.98 -4.88 113.70 112.65 1dke s SER 52 Ca 0.00 2.71 0.28 0.00 0.70 0.00 0.00 55.95 59.64 1dke s SER 52 Cb 0.00 -2.63 0.99 0.00 -1.71 0.00 0.00 66.02 62.67 1dke s SER 52 CO 0.00 -1.47 1.85 0.00 1.20 0.00 0.00 173.24 174.82 1dke h ALA 53 N 1.57 0.99 0.17 5.45 0.00 -1.91 -1.53 119.26 124.00 1dke h ALA 53 Ca -0.51 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.01 1dke h ALA 53 Cb 1.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1dke h ALA 53 CO 0.58 0.11 -1.50 1.96 0.00 0.00 0.00 179.25 180.40 1dke h GLN 54 N 0.00 0.36 -0.42 0.00 4.20 -1.90 -2.31 115.11 115.04 1dke h GLN 54 Ca -0.00 -0.61 -0.12 0.00 0.06 0.00 0.00 58.65 57.98 1dke h GLN 54 Cb 0.71 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1dke h GLN 54 CO 0.01 1.26 -0.20 0.28 -0.67 0.00 0.00 178.83 179.51 1dke h VAL 55 N 0.10 1.27 -0.14 -0.54 2.07 -1.70 -1.81 116.25 115.50 1dke h VAL 55 Ca -0.24 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1dke h VAL 55 Cb 2.06 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1dke h VAL 55 CO 0.20 0.45 0.07 0.50 0.02 0.00 0.00 177.57 178.81 1dke h LYS 56 N 0.73 0.20 -0.78 1.57 3.64 -1.31 0.11 116.57 120.73 1dke h LYS 56 Ca 0.10 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1dke h LYS 56 Cb 0.73 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1dke h LYS 56 CO 0.06 0.26 0.34 0.78 -2.27 0.00 0.00 179.45 178.61 1dke h GLY 57 N 0.10 1.23 1.74 5.01 0.00 -1.30 -2.45 103.07 107.40 1dke h GLY 57 Ca 0.05 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 1dke h GLY 57 CO -0.01 0.60 -0.83 0.84 0.00 0.00 0.00 176.54 177.15 1dke h HIS 58 N 1.12 0.34 -0.29 5.60 -0.00 -1.12 -3.00 115.15 117.81 1dke h HIS 58 Ca 0.26 -0.18 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1dke h HIS 58 Cb 0.17 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 1dke h HIS 58 CO 0.02 0.96 0.10 0.78 -0.00 0.00 0.00 177.93 179.79 1dke h GLY 59 N 1.69 0.36 0.52 5.26 0.00 -0.30 -1.31 103.07 109.29 1dke h GLY 59 Ca -0.04 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.30 1dke h GLY 59 CO 0.13 0.04 0.20 0.50 0.00 0.00 0.00 176.54 177.41 1dke h LYS 60 N 0.23 0.38 0.11 4.80 1.57 -1.52 0.14 116.57 122.29 1dke h LYS 60 Ca 0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1dke h LYS 60 Cb 0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dke h LYS 60 CO -0.12 0.25 -0.05 0.87 -0.57 0.00 0.00 179.45 179.83 1dke h LYS 61 N 0.39 -0.14 -0.09 3.15 1.57 -1.34 0.11 116.57 120.23 1dke h LYS 61 Ca 0.26 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1dke h LYS 61 Cb 0.27 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1dke h LYS 61 CO -0.25 0.01 -0.24 0.28 -0.57 0.00 0.00 179.45 178.68 1dke h VAL 62 N -0.26 0.43 -0.42 0.50 2.07 -0.90 -1.92 116.25 115.76 1dke h VAL 62 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1dke h VAL 62 Cb 0.21 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1dke h VAL 62 CO 0.02 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.80 1dke h ALA 63 N 0.59 1.55 -0.68 1.67 0.00 -0.53 -2.01 119.26 119.85 1dke h ALA 63 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1dke h ALA 63 Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1dke h ALA 63 CO -0.27 0.36 0.25 -0.44 0.00 0.00 0.00 179.25 179.15 1dke h ASP 64 N 0.58 0.96 -0.56 0.00 3.45 -0.00 -2.26 116.42 118.59 1dke h ASP 64 Ca 0.15 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1dke h ASP 64 Cb 0.08 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.57 1dke h ASP 64 CO -0.02 0.88 0.32 0.00 -1.57 0.00 0.00 179.24 178.86 1dke h ALA 65 N 1.11 1.48 -0.18 3.45 0.00 -0.90 -0.70 119.26 123.53 1dke h ALA 65 Ca 0.22 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1dke h ALA 65 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dke h ALA 65 CO -0.01 0.43 -0.21 -0.07 0.00 0.00 0.00 179.25 179.39 1dke h LEU 66 N 0.80 0.50 -1.00 0.00 3.38 -1.29 0.30 115.31 118.00 1dke h LEU 66 Ca 0.21 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.78 1dke h LEU 66 Cb 0.01 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1dke h LEU 66 CO -0.04 0.90 0.63 0.74 0.09 0.00 0.00 178.44 180.76 1dke h THR 67 N 0.12 0.98 -0.34 0.22 2.02 -1.10 1.16 112.91 115.97 1dke h THR 67 Ca 0.02 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1dke h THR 67 Cb 0.77 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1dke h THR 67 CO 0.05 0.19 0.04 -1.13 0.37 0.00 0.00 175.52 175.05 1dke h ASN 68 N 1.05 0.55 -0.26 4.18 -1.24 -0.86 0.44 115.58 119.44 1dke h ASN 68 Ca 0.47 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 1dke h ASN 68 Cb 0.37 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1dke h ASN 68 CO -0.23 0.68 -0.03 0.00 -1.29 0.00 0.00 177.43 176.56 1dke h ALA 69 N 0.89 1.27 -0.63 1.57 0.00 0.25 -1.90 119.26 120.70 1dke h ALA 69 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1dke h ALA 69 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1dke h ALA 69 CO 0.01 0.49 0.12 0.28 0.00 0.00 0.00 179.25 180.15 1dke h VAL 70 N 0.56 1.25 0.00 0.00 2.07 0.23 -2.28 116.25 118.09 1dke h VAL 70 Ca 0.11 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1dke h VAL 70 Cb 0.40 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1dke h VAL 70 CO 0.02 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1dke h ALA 71 N 1.16 1.00 -1.00 1.67 0.00 -0.18 -3.22 119.26 118.69 1dke h ALA 71 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.66 1dke h ALA 71 Cb 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.77 1dke h ALA 71 CO 0.01 0.00 -0.96 0.72 0.00 0.00 0.00 179.25 179.01 1dke n HIS 72 N -3.00 2.19 -0.12 0.00 8.25 -0.91 -4.89 115.22 116.74 1dke n HIS 72 Ca -0.00 -2.66 0.18 0.00 -0.26 0.00 0.00 57.72 54.98 1dke n HIS 72 Cb 0.24 -0.25 0.58 0.00 1.12 0.00 0.00 29.99 31.68 1dke n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1dke h VAL 73 N 3.21 0.75 -0.21 1.59 3.04 -1.44 0.30 116.25 123.48 1dke h VAL 73 Ca 0.11 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1dke h VAL 73 Cb 1.19 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1dke h VAL 73 CO 0.60 0.05 0.00 0.47 -1.01 0.00 0.00 177.57 177.68 1dke n ASP 74 N -4.43 1.78 -2.76 3.17 8.00 -1.26 -4.26 116.55 116.78 1dke n ASP 74 Ca 0.14 -1.78 -0.02 0.00 0.71 0.00 0.00 54.79 53.84 1dke n ASP 74 Cb 0.60 -0.14 0.07 0.00 -0.02 0.00 0.00 41.12 41.63 1dke n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dke n ASP 75 N 0.41 0.51 -0.05 -2.24 2.03 0.99 -5.02 116.55 113.19 1dke n ASP 75 Ca 0.15 -2.19 -0.08 0.00 0.52 0.00 0.00 54.79 53.20 1dke n ASP 75 Cb 0.33 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 1dke n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1dke h MET 76 N 2.19 -0.03 -0.60 -0.67 2.86 -1.61 -1.10 114.93 115.96 1dke h MET 76 Ca -0.23 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1dke h MET 76 Cb 1.27 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.86 1dke h MET 76 CO 0.11 -0.02 0.18 -1.35 1.06 0.00 0.00 176.91 176.89 1dke h PRO 77 N -0.03 0.33 0.03 -0.22 0.11 -1.95 0.89 132.00 131.15 1dke h PRO 77 Ca 0.12 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1dke h PRO 77 Cb 0.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1dke h PRO 77 CO -0.26 0.22 -0.01 -0.91 -0.21 0.00 0.00 178.00 176.83 1dke h ASN 78 N 0.34 -0.03 -0.78 -2.05 -0.26 -1.93 -2.78 115.58 108.09 1dke h ASN 78 Ca 0.31 -0.39 0.18 0.00 -0.56 0.00 0.00 56.30 55.84 1dke h ASN 78 Cb 0.42 0.01 -0.12 0.00 -1.06 0.00 0.00 38.32 37.57 1dke h ASN 78 CO -0.35 0.38 0.21 0.00 -1.06 0.00 0.00 177.43 176.61 1dke h ALA 79 N 0.51 1.06 -0.57 -0.83 0.00 -0.29 -2.57 119.26 116.57 1dke h ALA 79 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1dke h ALA 79 Cb 0.42 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dke h ALA 79 CO 0.01 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.18 1dke n LEU 80 N -5.16 5.19 -0.22 0.00 4.77 0.22 -4.76 117.00 117.05 1dke n LEU 80 Ca 0.16 -2.75 0.01 0.00 -0.03 0.00 0.00 56.01 53.40 1dke n LEU 80 Cb 0.52 -0.63 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1dke n LEU 80 CO 0.11 0.70 0.99 -1.28 -1.33 0.00 0.00 177.39 176.58 1dke h SER 81 N 3.80 0.21 -0.38 -1.43 0.87 -1.16 0.61 113.55 116.07 1dke h SER 81 Ca 0.00 0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1dke h SER 81 Cb 1.73 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 1dke h SER 81 CO 0.37 0.11 -0.26 0.00 -0.53 0.00 0.00 176.83 176.52 1dke h ALA 82 N 1.46 0.74 -0.05 6.23 0.00 -1.85 -1.05 119.26 124.74 1dke h ALA 82 Ca 0.34 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1dke h ALA 82 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dke h ALA 82 CO -0.34 0.66 -0.67 -0.07 0.00 0.00 0.00 179.25 178.83 1dke h LEU 83 N 0.77 0.25 -0.58 0.00 4.07 -1.84 -0.37 115.31 117.61 1dke h LEU 83 Ca 0.09 -0.16 -0.13 0.00 0.08 0.00 0.00 57.88 57.76 1dke h LEU 83 Cb 0.82 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1dke h LEU 83 CO 0.07 0.85 -0.31 0.77 -1.08 0.00 0.00 178.44 178.73 1dke h SER 84 N 0.15 0.83 -0.26 -0.43 4.64 -0.64 -1.79 113.55 116.05 1dke h SER 84 Ca -0.01 -0.34 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1dke h SER 84 Cb 1.20 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1dke h SER 84 CO 0.10 1.07 0.02 0.44 -0.87 0.00 0.00 176.83 177.60 1dke h ASP 85 N 0.67 0.42 -0.39 4.97 3.32 -0.94 -1.92 116.42 122.55 1dke h ASP 85 Ca 0.07 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 56.89 1dke h ASP 85 Cb 0.85 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1dke h ASP 85 CO 0.07 0.60 0.11 0.25 -1.72 0.00 0.00 179.24 178.55 1dke h LEU 86 N 0.23 0.08 -0.32 1.55 5.85 -0.97 0.41 115.31 122.15 1dke h LEU 86 Ca 0.08 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1dke h LEU 86 Cb 0.37 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1dke h LEU 86 CO 0.01 0.08 -0.06 0.45 -0.34 0.00 0.00 178.44 178.59 1dke h HIS 87 N 0.25 0.68 -0.10 1.25 3.86 -1.34 -1.70 115.15 118.05 1dke h HIS 87 Ca 0.18 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1dke h HIS 87 Cb 0.19 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1dke h HIS 87 CO -0.17 0.77 -0.31 0.00 0.86 0.00 0.00 177.93 179.07 1dke h ALA 88 N 0.81 1.29 0.00 2.45 0.00 -1.00 0.92 119.26 123.74 1dke h ALA 88 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1dke h ALA 88 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dke h ALA 88 CO 0.03 0.49 -1.53 0.72 0.00 0.00 0.00 179.25 178.96 1dke n HIS 89 N -4.12 0.00 0.00 0.00 8.25 0.10 -4.74 115.22 114.72 1dke n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1dke n HIS 89 Cb 0.40 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1dke n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1dke n LYS 90 N -1.91 0.00 -0.14 -0.41 4.76 -0.66 -4.87 118.16 114.93 1dke n LYS 90 Ca -0.02 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.38 1dke n LYS 90 Cb 0.34 -0.09 0.05 0.00 -1.84 0.00 0.00 35.03 33.49 1dke n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dke h LEU 91 N 0.00 0.03 -1.31 -0.35 3.38 -1.63 -3.47 115.31 111.95 1dke h LEU 91 Ca 0.00 0.08 -0.47 0.00 0.09 0.00 0.00 57.88 57.57 1dke h LEU 91 Cb 0.00 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1dke h LEU 91 CO 0.00 0.05 -0.80 0.54 0.09 0.00 0.00 178.44 178.32 1dke n ARG 92 N -5.09 -4.81 -2.01 1.13 1.74 0.32 -4.94 116.66 103.00 1dke n ARG 92 Ca 0.04 0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 1dke n ARG 92 Cb 0.21 -5.24 -0.03 0.00 -1.02 0.00 0.00 32.46 26.38 1dke n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dke s VAL 93 N -3.48 2.84 0.25 1.55 1.01 -1.26 -4.95 120.40 116.36 1dke s VAL 93 Ca 0.43 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1dke s VAL 93 Cb -0.22 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.65 1dke s VAL 93 CO 0.85 0.05 1.57 -0.67 0.00 0.00 0.00 175.10 176.89 1dke n ASP 94 N 3.95 3.51 -0.07 3.32 2.03 -1.26 -4.85 116.55 123.18 1dke n ASP 94 Ca 0.13 1.12 0.25 0.00 0.52 0.00 0.00 54.79 56.81 1dke n ASP 94 Cb 0.40 -1.53 0.69 0.00 -0.72 0.00 0.00 41.12 39.96 1dke n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1dke h PRO 95 N 5.19 0.00 0.00 -0.67 0.11 -2.01 -0.28 132.00 134.34 1dke h PRO 95 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1dke h PRO 95 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1dke h PRO 95 CO 0.83 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 178.23 1dke h VAL 96 N 0.00 0.00 0.00 3.15 -1.51 -2.04 -2.81 116.25 113.04 1dke h VAL 96 Ca 0.34 -0.22 -0.10 0.00 -1.23 0.00 0.00 66.70 65.49 1dke h VAL 96 Cb 1.72 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1dke h VAL 96 CO -0.00 0.00 -0.46 0.78 -1.23 0.00 0.00 177.57 176.66 1dke h ASN 97 N 0.00 0.00 0.31 4.19 4.21 -1.39 -3.24 115.58 119.67 1dke h ASN 97 Ca 0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1dke h ASN 97 Cb 0.30 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1dke h ASN 97 CO 0.00 0.46 -0.47 -0.26 -1.29 0.00 0.00 177.43 175.87 1dke h PHE 98 N 0.00 0.23 -0.34 1.19 0.04 -1.69 -2.31 116.94 114.07 1dke h PHE 98 Ca -0.00 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 1dke h PHE 98 Cb 1.03 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 1dke h PHE 98 CO 0.00 0.63 0.01 0.87 -0.60 0.00 0.00 178.31 179.21 1dke h LYS 99 N 0.16 0.52 -0.13 1.51 1.57 -1.73 -1.79 116.57 116.68 1dke h LYS 99 Ca 0.01 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1dke h LYS 99 Cb 0.89 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1dke h LYS 99 CO 0.07 0.54 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.30 1dke h LEU 100 N 0.50 0.34 -0.41 2.94 3.38 -1.60 -1.10 115.31 119.37 1dke h LEU 100 Ca 0.11 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1dke h LEU 100 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dke h LEU 100 CO 0.01 0.75 0.01 0.25 0.09 0.00 0.00 178.44 179.55 1dke h LEU 101 N -0.06 0.71 0.31 1.67 5.85 -1.39 -2.13 115.31 120.27 1dke h LEU 101 Ca 0.02 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1dke h LEU 101 Cb 0.65 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1dke h LEU 101 CO 0.03 0.84 -0.17 0.28 -0.34 0.00 0.00 178.44 179.08 1dke h SER 102 N 0.55 -0.41 -0.65 1.25 0.02 -1.34 -0.12 113.55 112.86 1dke h SER 102 Ca 0.12 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 1dke h SER 102 Cb 0.47 0.11 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 1dke h SER 102 CO 0.02 -0.28 0.20 -0.74 -1.14 0.00 0.00 176.83 174.90 1dke h HIS 103 N -0.45 0.34 0.00 3.45 -0.00 -1.19 -1.46 115.15 115.84 1dke h HIS 103 Ca -0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1dke h HIS 103 Cb 0.36 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1dke h HIS 103 CO -0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 177.93 177.76 1dke h LEU 105 N 0.00 0.43 -0.43 0.00 3.38 -0.01 -2.66 115.31 116.02 1dke h LEU 105 Ca -0.00 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 1dke h LEU 105 Cb 0.56 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1dke h LEU 105 CO 0.02 1.15 -0.27 -0.07 0.09 0.00 0.00 178.44 179.35 1dke h LEU 106 N 0.18 0.98 -0.50 1.67 4.07 -0.86 -1.25 115.31 119.60 1dke h LEU 106 Ca -0.07 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.45 1dke h LEU 106 Cb 1.55 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 1dke h LEU 106 CO 0.15 1.19 0.25 0.58 -1.08 0.00 0.00 178.44 179.53 1dke h VAL 107 N 0.78 1.19 0.08 1.22 2.07 -1.44 0.96 116.25 121.10 1dke h VAL 107 Ca 0.09 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1dke h VAL 107 Cb 0.85 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1dke h VAL 107 CO 0.08 0.21 -0.07 0.74 0.02 0.00 0.00 177.57 178.55 1dke h THR 108 N 0.67 0.85 -0.45 2.57 2.02 -1.33 0.12 112.91 117.36 1dke h THR 108 Ca 0.17 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 1dke h THR 108 Cb 0.11 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1dke h THR 108 CO -0.02 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.88 1dke h LEU 109 N -0.16 0.71 -1.96 2.58 3.38 -1.09 -2.17 115.31 116.61 1dke h LEU 109 Ca -0.00 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1dke h LEU 109 Cb 0.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dke h LEU 109 CO -0.01 0.79 0.06 0.00 0.09 0.00 0.00 178.44 179.37 1dke h ALA 110 N 0.95 2.01 0.00 1.53 0.00 -0.48 -0.79 119.26 122.48 1dke h ALA 110 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dke h ALA 110 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dke h ALA 110 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1dke h ALA 111 N 1.95 1.00 -0.01 0.00 0.00 -0.31 -3.30 119.26 118.60 1dke h ALA 111 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dke h ALA 111 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dke h ALA 111 CO -0.00 0.00 -0.15 0.72 0.00 0.00 0.00 179.25 179.81 1dke n HIS 112 N -3.08 0.00 -3.27 0.00 -0.00 -0.41 -4.85 115.22 103.60 1dke n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.48 1dke n HIS 112 Cb 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.29 1dke n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dke n LEU 113 N -0.29 2.92 -0.18 2.41 4.77 -0.55 -4.98 117.00 121.09 1dke n LEU 113 Ca 0.03 -5.30 -0.03 0.00 -0.03 0.00 0.00 56.01 50.69 1dke n LEU 113 Cb 0.16 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1dke n LEU 113 CO 0.09 2.13 0.73 -0.65 -1.33 0.00 0.00 177.39 178.36 1dke h PRO 114 N 3.84 -0.05 0.09 3.23 0.11 -1.88 0.90 132.00 138.24 1dke h PRO 114 Ca 0.15 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.95 1dke h PRO 114 Cb 0.70 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1dke h PRO 114 CO 0.73 -0.03 -1.67 0.00 -0.21 0.00 0.00 178.00 176.82 1dke h ALA 115 N 1.42 0.44 0.00 -0.75 0.00 -1.97 -3.36 119.26 115.04 1dke h ALA 115 Ca 0.26 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1dke h ALA 115 Cb 0.45 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1dke h ALA 115 CO -0.59 1.30 -0.17 0.39 0.00 0.00 0.00 179.25 180.18 1dke n GLU 116 N -3.35 0.17 -1.98 0.00 4.71 -1.17 -4.37 120.64 114.64 1dke n GLU 116 Ca -0.20 0.11 -0.41 0.00 -0.01 0.00 0.00 57.16 56.66 1dke n GLU 116 Cb 1.04 -1.67 -0.01 0.00 -1.01 0.00 0.00 31.44 29.80 1dke n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1dke n PHE 117 N -1.94 2.70 -1.65 -0.32 7.35 0.30 -4.79 117.46 119.11 1dke n PHE 117 Ca 0.06 -2.86 -0.30 0.00 -0.76 0.00 0.00 57.45 53.59 1dke n PHE 117 Cb 0.40 -1.99 0.07 0.00 0.35 0.00 0.00 39.48 38.31 1dke n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dke s THR 118 N -0.10 3.42 0.22 -2.13 -4.23 -1.26 -4.81 115.64 106.74 1dke s THR 118 Ca 0.52 0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 61.41 1dke s THR 118 Cb 0.16 -3.28 0.17 0.00 1.34 0.00 0.00 72.50 70.89 1dke s THR 118 CO -0.06 -0.60 1.84 -0.65 -0.54 0.00 0.00 174.62 174.60 1dke h PRO 119 N -0.88 1.14 -0.54 3.99 0.11 -1.98 0.83 132.00 134.66 1dke h PRO 119 Ca -0.46 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.44 1dke h PRO 119 Cb 1.25 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1dke h PRO 119 CO 0.60 0.84 0.02 0.00 -0.21 0.00 0.00 178.00 179.24 1dke h ALA 120 N 1.24 0.72 -0.15 -0.75 0.00 -1.97 -2.66 119.26 115.69 1dke h ALA 120 Ca 0.29 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1dke h ALA 120 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dke h ALA 120 CO -0.05 0.53 -0.27 0.28 0.00 0.00 0.00 179.25 179.75 1dke h VAL 121 N 0.82 1.25 -0.06 0.00 2.07 -1.78 -2.72 116.25 115.83 1dke h VAL 121 Ca 0.15 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1dke h VAL 121 Cb 0.51 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1dke h VAL 121 CO 0.02 0.36 0.00 -0.74 0.02 0.00 0.00 177.57 177.24 1dke h HIS 122 N 0.26 0.11 -0.67 1.57 6.17 -0.70 -2.48 115.15 119.40 1dke h HIS 122 Ca 0.04 -0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.24 1dke h HIS 122 Cb 0.61 -0.03 -0.11 0.00 2.52 0.00 0.00 27.41 30.40 1dke h HIS 122 CO 0.01 0.37 0.08 0.00 0.71 0.00 0.00 177.93 179.10 1dke h ALA 123 N 0.73 0.76 0.06 5.26 0.00 -1.43 -2.22 119.26 122.42 1dke h ALA 123 Ca 0.02 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1dke h ALA 123 Cb 0.32 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dke h ALA 123 CO 0.00 -0.37 -0.03 0.77 0.00 0.00 0.00 179.25 179.63 1dke h SER 124 N 0.19 -0.07 -0.57 0.00 0.02 -1.32 -2.13 113.55 109.66 1dke h SER 124 Ca 0.36 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1dke h SER 124 Cb 0.60 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 1dke h SER 124 CO -0.52 0.17 0.30 -0.07 -1.14 0.00 0.00 176.83 175.57 1dke h LEU 125 N -0.31 0.43 -0.45 5.07 3.38 -1.27 -1.33 115.31 120.83 1dke h LEU 125 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dke h LEU 125 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1dke h LEU 125 CO 0.01 0.29 0.27 -0.78 0.09 0.00 0.00 178.44 178.32 1dke h ASP 126 N 0.57 0.53 -0.66 -0.43 3.58 -1.42 -0.16 116.42 118.43 1dke h ASP 126 Ca 0.25 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.57 1dke h ASP 126 Cb 0.16 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1dke h ASP 126 CO -0.17 0.43 0.09 0.11 -2.88 0.00 0.00 179.24 176.81 1dke h LYS 127 N 0.59 1.10 0.04 0.28 1.57 -0.88 -2.52 116.57 116.75 1dke h LYS 127 Ca 0.16 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1dke h LYS 127 Cb -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1dke h LYS 127 CO -0.03 1.02 -0.02 0.35 -0.57 0.00 0.00 179.45 180.20 1dke h PHE 128 N 1.02 -0.05 -0.49 -1.35 3.57 -1.06 -0.43 116.94 118.15 1dke h PHE 128 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1dke h PHE 128 Cb 0.47 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1dke h PHE 128 CO 0.03 0.15 0.29 -0.07 -2.23 0.00 0.00 178.31 176.48 1dke h LEU 129 N -0.24 0.58 -0.71 0.59 3.38 -1.02 0.11 115.31 118.01 1dke h LEU 129 Ca -0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1dke h LEU 129 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1dke h LEU 129 CO 0.01 0.46 -0.09 0.00 0.09 0.00 0.00 178.44 178.91 1dke h ALA 130 N 1.64 0.90 -0.44 1.53 0.00 -1.07 -1.84 119.26 120.00 1dke h ALA 130 Ca 0.18 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1dke h ALA 130 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dke h ALA 130 CO -0.03 0.64 -0.30 0.77 0.00 0.00 0.00 179.25 180.32 1dke h SER 131 N 0.82 1.02 -0.27 0.00 0.02 0.69 -1.10 113.55 114.72 1dke h SER 131 Ca 0.14 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1dke h SER 131 Cb 0.61 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1dke h SER 131 CO 0.04 1.23 0.11 0.58 -1.14 0.00 0.00 176.83 177.65 1dke h VAL 132 N 0.82 1.14 -0.13 2.27 2.07 -1.15 -2.00 116.25 119.27 1dke h VAL 132 Ca 0.09 -0.47 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1dke h VAL 132 Cb 0.89 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1dke h VAL 132 CO 0.08 0.17 -0.62 0.28 0.02 0.00 0.00 177.57 177.50 1dke h SER 133 N 0.47 0.51 0.09 0.57 0.02 -1.15 -2.14 113.55 111.92 1dke h SER 133 Ca 0.11 -0.30 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 1dke h SER 133 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1dke h SER 133 CO -0.01 1.01 -0.54 0.74 -1.14 0.00 0.00 176.83 176.89 1dke h THR 134 N 0.33 1.33 0.00 -2.27 2.02 -0.83 -2.71 112.91 110.79 1dke h THR 134 Ca -0.01 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.37 1dke h THR 134 Cb 1.17 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1dke h THR 134 CO 0.11 0.55 -0.00 0.58 0.37 0.00 0.00 175.52 177.13 1dke h VAL 135 N 0.38 1.27 -0.60 3.16 2.07 -1.26 -2.21 116.25 119.05 1dke h VAL 135 Ca 0.01 -0.81 0.17 0.00 0.82 0.00 0.00 66.70 66.89 1dke h VAL 135 Cb 1.07 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1dke h VAL 135 CO 0.10 0.21 0.48 -0.07 0.02 0.00 0.00 177.57 178.30 1dke h LEU 136 N -0.35 0.00 -1.49 2.57 3.38 -1.29 -0.67 115.31 117.46 1dke h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dke h LEU 136 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1dke h LEU 136 CO 0.00 0.00 -0.10 0.35 0.09 0.00 0.00 178.44 178.78 1dke n THR 137 N -4.15 0.00 0.12 0.22 -2.24 -1.03 -4.51 114.28 102.68 1dke n THR 137 Ca 0.12 -0.45 0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1dke n THR 137 Cb 0.71 1.33 0.41 0.00 -2.10 0.00 0.00 70.33 70.69 1dke n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dke n SER 138 N 0.72 0.39 -0.23 3.42 3.41 -0.26 -2.46 113.62 118.61 1dke n SER 138 Ca 0.10 0.68 0.02 0.00 -0.26 0.00 0.00 58.87 59.41 1dke n SER 138 Cb 0.43 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1dke n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dke n LYS 139 N -2.03 2.88 0.23 4.33 5.02 -1.26 -4.72 118.16 122.62 1dke n LYS 139 Ca -0.01 -1.76 0.13 0.00 -2.02 0.00 0.00 58.31 54.65 1dke n LYS 139 Cb 0.03 -1.13 0.75 0.00 -0.02 0.00 0.00 35.03 34.66 1dke n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1dke h TYR 140 N 0.69 0.00 0.00 2.13 0.99 -1.78 -3.47 116.97 115.53 1dke h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dke h TYR 140 Cb 0.62 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.35 1dke h TYR 140 CO 0.09 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.14