#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dke n HIS 2 N 0.00 0.00 -3.15 6.34 -0.00 -1.26 -4.84 115.22 112.31 1dke n HIS 2 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 1dke n HIS 2 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1dke n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1dke s LEU 3 N 0.00 4.32 0.59 2.39 1.02 -1.26 -5.07 118.68 120.67 1dke s LEU 3 Ca 0.00 1.35 -0.06 0.00 0.02 0.00 0.00 54.13 55.44 1dke s LEU 3 Cb 0.00 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.66 1dke s LEU 3 CO 0.00 0.03 0.90 0.28 0.02 0.00 0.00 176.35 177.58 1dke s THR 4 N -1.54 3.65 0.26 5.49 -1.32 -1.26 -4.82 115.64 116.10 1dke s THR 4 Ca 0.43 0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 60.88 1dke s THR 4 Cb -0.16 -3.45 0.29 0.00 -1.51 0.00 0.00 72.50 67.67 1dke s THR 4 CO 0.20 -0.47 1.64 -0.65 -2.21 0.00 0.00 174.62 173.14 1dke h PRO 5 N -0.18 0.15 0.00 7.08 0.11 -2.00 0.27 132.00 137.42 1dke h PRO 5 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1dke h PRO 5 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1dke h PRO 5 CO 0.61 0.10 -0.34 0.93 -0.21 0.00 0.00 178.00 179.09 1dke h GLU 6 N 0.16 0.00 -0.04 1.05 3.07 -2.00 -2.52 114.58 114.30 1dke h GLU 6 Ca 0.47 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.26 1dke h GLU 6 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1dke h GLU 6 CO -0.65 0.34 -0.24 0.93 -1.40 0.00 0.00 179.01 177.98 1dke h GLU 7 N 0.00 0.23 -0.60 2.33 5.08 -0.86 -2.82 114.58 117.94 1dke h GLU 7 Ca -0.00 -0.20 0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1dke h GLU 7 Cb 0.62 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 1dke h GLU 7 CO 0.04 0.87 -0.07 0.87 -1.00 0.00 0.00 179.01 179.72 1dke h LYS 8 N -0.34 0.06 -0.49 2.33 1.57 -1.20 -1.95 116.57 116.55 1dke h LYS 8 Ca -0.02 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1dke h LYS 8 Cb 0.92 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1dke h LYS 8 CO 0.05 0.04 -0.02 1.03 -0.57 0.00 0.00 179.45 179.98 1dke h SER 9 N 0.06 0.80 -0.29 0.86 0.87 -1.45 -2.18 113.55 112.22 1dke h SER 9 Ca 0.30 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1dke h SER 9 Cb 0.48 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1dke h SER 9 CO -0.56 0.88 0.10 0.00 -0.53 0.00 0.00 176.83 176.71 1dke h ALA 10 N 1.21 0.38 0.08 6.23 0.00 -1.11 -2.48 119.26 123.57 1dke h ALA 10 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dke h ALA 10 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1dke h ALA 10 CO 0.02 -0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.49 1dke h VAL 11 N 0.31 0.86 -0.31 0.00 2.07 -1.33 -2.54 116.25 115.31 1dke h VAL 11 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1dke h VAL 11 Cb 0.22 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1dke h VAL 11 CO -0.00 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.44 1dke h THR 12 N -0.15 1.18 -0.66 2.57 2.02 -1.43 -1.54 112.91 114.91 1dke h THR 12 Ca -0.00 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1dke h THR 12 Cb 0.13 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1dke h THR 12 CO -0.01 0.19 0.28 0.00 0.37 0.00 0.00 175.52 176.35 1dke h ALA 13 N 0.96 1.24 -0.26 6.16 0.00 -1.39 -2.49 119.26 123.48 1dke h ALA 13 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1dke h ALA 13 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1dke h ALA 13 CO -0.01 0.56 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 1dke h LEU 14 N 0.95 0.49 -1.39 0.00 5.85 -1.27 -3.06 115.31 116.87 1dke h LEU 14 Ca 0.23 -0.34 0.14 0.00 0.84 0.00 0.00 57.88 58.75 1dke h LEU 14 Cb 0.16 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1dke h LEU 14 CO -0.02 0.71 0.55 -0.25 -0.34 0.00 0.00 178.44 179.09 1dke h TRP 15 N 0.25 0.70 0.00 1.25 2.91 -1.04 0.66 115.95 120.68 1dke h TRP 15 Ca 0.07 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1dke h TRP 15 Cb 0.48 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1dke h TRP 15 CO 0.04 0.26 0.15 0.78 -1.03 0.00 0.00 178.44 178.65 1dke h GLY 16 N 0.59 0.00 -2.13 2.65 0.00 -1.34 0.73 103.07 103.58 1dke h GLY 16 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1dke h GLY 16 CO -0.17 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.65 1dke n LYS 17 N -2.45 3.00 -3.62 4.80 5.02 0.23 -4.98 118.16 120.16 1dke n LYS 17 Ca -0.02 -2.48 -0.37 0.00 -2.02 0.00 0.00 58.31 53.42 1dke n LYS 17 Cb 0.19 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1dke n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dke s VAL 18 N -1.30 5.28 -0.50 -0.18 1.01 0.25 -5.02 120.40 119.94 1dke s VAL 18 Ca 0.39 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 1dke s VAL 18 Cb 0.22 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 33.08 1dke s VAL 18 CO 0.23 0.50 0.55 0.21 0.00 0.00 0.00 175.10 176.59 1dke s ASN 19 N -0.32 6.20 0.22 3.32 3.84 -1.26 -4.91 114.94 122.02 1dke s ASN 19 Ca 0.18 -1.06 -0.10 0.00 0.21 0.00 0.00 52.86 52.08 1dke s ASN 19 Cb -0.14 -2.25 0.32 0.00 -0.55 0.00 0.00 41.25 38.63 1dke s ASN 19 CO 0.06 -0.82 1.65 0.58 -2.79 0.00 0.00 177.10 175.79 1dke h VAL 20 N 5.83 0.45 -0.02 -5.21 2.07 -1.95 -1.29 116.25 116.12 1dke h VAL 20 Ca -0.28 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1dke h VAL 20 Cb 1.10 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1dke h VAL 20 CO 0.94 0.02 0.01 0.44 0.02 0.00 0.00 177.57 179.00 1dke h ASP 21 N 0.10 0.03 -0.31 0.57 3.32 -1.91 -0.04 116.42 118.18 1dke h ASP 21 Ca 0.34 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.24 1dke h ASP 21 Cb 0.56 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1dke h ASP 21 CO -0.57 0.03 -0.36 1.05 -1.72 0.00 0.00 179.24 177.67 1dke h GLU 22 N 0.02 0.80 -0.43 3.56 4.11 -1.81 -1.99 114.58 118.84 1dke h GLU 22 Ca 0.01 -0.44 -0.09 0.00 0.07 0.00 0.00 59.36 58.91 1dke h GLU 22 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1dke h GLU 22 CO -0.00 1.07 -0.07 0.28 0.07 0.00 0.00 179.01 180.35 1dke h VAL 23 N 0.57 1.27 -0.38 -1.06 2.07 -1.26 -0.01 116.25 117.45 1dke h VAL 23 Ca 0.04 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.42 1dke h VAL 23 Cb 0.94 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1dke h VAL 23 CO 0.09 0.39 0.22 1.23 0.02 0.00 0.00 177.57 179.52 1dke h GLY 24 N 0.64 0.53 1.01 2.17 0.00 -1.01 0.28 103.07 106.68 1dke h GLY 24 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1dke h GLY 24 CO 0.04 0.14 0.43 -1.33 0.00 0.00 0.00 176.54 175.81 1dke h GLY 25 N 0.44 1.11 0.93 4.60 0.00 -1.16 -2.21 103.07 106.77 1dke h GLY 25 Ca 0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1dke h GLY 25 CO -0.08 0.47 0.08 -2.09 0.00 0.00 0.00 176.54 174.92 1dke h GLU 26 N 1.03 0.62 -0.16 4.80 4.57 -0.41 -2.51 114.58 122.52 1dke h GLU 26 Ca 0.27 -0.16 -0.20 0.00 -1.18 0.00 0.00 59.36 58.09 1dke h GLU 26 Cb 0.01 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1dke h GLU 26 CO -0.05 0.67 -0.70 0.00 -1.18 0.00 0.00 179.01 177.75 1dke h ALA 27 N 0.93 0.45 -0.43 2.92 0.00 -0.37 -1.96 119.26 120.80 1dke h ALA 27 Ca 0.12 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1dke h ALA 27 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dke h ALA 27 CO 0.00 0.70 -0.31 1.25 0.00 0.00 0.00 179.25 180.90 1dke h LEU 28 N 0.49 1.02 -0.78 0.00 5.85 -1.42 0.03 115.31 120.49 1dke h LEU 28 Ca -0.03 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1dke h LEU 28 Cb 1.31 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1dke h LEU 28 CO 0.14 1.23 -0.12 1.23 -0.34 0.00 0.00 178.44 180.58 1dke h GLY 29 N 0.81 0.86 1.01 3.75 0.00 -1.47 -1.77 103.07 106.25 1dke h GLY 29 Ca 0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1dke h GLY 29 CO 0.08 0.60 0.22 3.21 0.00 0.00 0.00 176.54 180.65 1dke h ARG 30 N 0.71 0.95 -0.30 4.80 3.08 -1.07 -2.33 114.38 120.22 1dke h ARG 30 Ca 0.12 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.04 1dke h ARG 30 Cb 0.61 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1dke h ARG 30 CO 0.04 0.83 -0.11 1.25 -1.07 0.00 0.00 179.97 180.90 1dke h LEU 31 N 0.88 -0.40 -2.70 3.04 5.85 -0.48 0.96 115.31 122.47 1dke h LEU 31 Ca 0.20 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1dke h LEU 31 Cb 0.25 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1dke h LEU 31 CO -0.01 -0.15 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.87 1dke h LEU 32 N -0.06 0.00 0.00 2.25 4.07 -0.86 -2.47 115.31 118.24 1dke h LEU 32 Ca 0.15 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.74 1dke h LEU 32 Cb 0.29 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.96 1dke h LEU 32 CO -0.34 0.01 -2.40 0.52 -1.08 0.00 0.00 178.44 175.14 1dke n VAL 33 N -3.23 1.41 0.07 1.22 0.31 -0.84 -3.87 118.33 113.41 1dke n VAL 33 Ca -0.03 -0.53 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 1dke n VAL 33 Cb 0.11 -1.39 -0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1dke n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1dke h VAL 34 N -0.04 1.44 -2.83 2.52 2.07 -0.80 -3.37 116.25 115.23 1dke h VAL 34 Ca -0.55 -2.48 -0.61 0.00 0.82 0.00 0.00 66.70 63.87 1dke h VAL 34 Cb 1.84 2.40 -0.40 0.00 -1.52 0.00 0.00 31.29 33.60 1dke h VAL 34 CO -0.10 0.73 -0.73 -0.31 0.02 0.00 0.00 177.57 177.18 1dke s TYR 35 N -3.29 2.51 0.59 1.57 2.02 -0.94 -5.01 117.35 114.81 1dke s TYR 35 Ca -0.04 -2.88 0.29 0.00 -0.37 0.00 0.00 57.07 54.07 1dke s TYR 35 Cb 0.10 -1.99 1.73 0.00 -0.40 0.00 0.00 41.96 41.39 1dke s TYR 35 CO 0.84 -0.68 2.15 -1.35 -1.57 0.00 0.00 175.55 174.95 1dke h PRO 36 N 5.66 0.00 0.00 -1.71 0.11 -1.74 -1.38 132.00 132.94 1dke h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1dke h PRO 36 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1dke h PRO 36 CO 0.57 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.47 1dke h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -0.59 115.95 114.17 1dke h TRP 37 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.04 1dke h TRP 37 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.59 1dke h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1dke h THR 38 N 0.00 0.00 -0.04 0.12 1.35 -1.57 -2.61 112.91 110.16 1dke h THR 38 Ca 0.00 -0.41 0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1dke h THR 38 Cb 0.11 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1dke h THR 38 CO 0.00 0.00 0.14 1.56 -0.25 0.00 0.00 175.52 176.97 1dke h GLN 39 N 0.00 0.00 -1.05 4.72 4.20 -1.31 -3.27 115.11 118.41 1dke h GLN 39 Ca 0.00 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.01 1dke h GLN 39 Cb 0.41 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1dke h GLN 39 CO 0.00 0.00 0.81 0.07 -0.67 0.00 0.00 178.83 179.04 1dke h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.68 -2.00 114.38 112.27 1dke h ARG 40 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1dke h ARG 40 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1dke h ARG 40 CO -0.00 0.00 -0.71 1.19 0.10 0.00 0.00 179.97 180.55 1dke n PHE 41 N -4.03 0.35 -2.08 4.08 3.01 -1.23 -4.54 117.46 113.02 1dke n PHE 41 Ca 0.22 0.10 -0.17 0.00 1.01 0.00 0.00 57.45 58.61 1dke n PHE 41 Cb 1.16 -0.50 0.04 0.00 -0.01 0.00 0.00 39.48 40.18 1dke n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1dke n PHE 42 N -1.93 2.22 0.10 1.38 3.01 -0.75 -4.83 117.46 116.66 1dke n PHE 42 Ca 0.03 -2.10 0.01 0.00 1.01 0.00 0.00 57.45 56.41 1dke n PHE 42 Cb 0.41 -0.31 0.06 0.00 -0.01 0.00 0.00 39.48 39.63 1dke n PHE 42 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1dke n GLU 43 N -0.72 0.00 -0.05 -1.08 -0.58 -1.25 -2.05 120.64 114.91 1dke n GLU 43 Ca 0.36 0.45 0.12 0.00 -0.42 0.00 0.00 57.16 57.68 1dke n GLU 43 Cb 0.92 -1.51 0.28 0.00 -0.57 0.00 0.00 31.44 30.56 1dke n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1dke n SER 44 N -1.51 2.50 0.00 1.62 3.41 -1.26 -4.24 113.62 114.14 1dke n SER 44 Ca 0.01 -1.82 0.02 0.00 -0.26 0.00 0.00 58.87 56.81 1dke n SER 44 Cb 0.03 -0.07 0.10 0.00 -0.26 0.00 0.00 64.21 64.01 1dke n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dke n PHE 45 N 0.92 0.00 -2.06 7.33 0.99 -0.87 -5.00 117.46 118.77 1dke n PHE 45 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1dke n PHE 45 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.98 1dke n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dke n GLY 46 N 0.52 0.48 3.62 1.37 0.00 -1.26 -4.78 105.19 105.14 1dke n GLY 46 Ca 0.03 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1dke n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dke s ASP 47 N -4.00 6.51 -0.37 1.61 3.68 -1.26 -4.88 116.67 117.96 1dke s ASP 47 Ca 0.00 1.27 0.12 0.00 2.13 0.00 0.00 52.55 56.07 1dke s ASP 47 Cb 0.00 -2.54 0.44 0.00 -1.45 0.00 0.00 42.92 39.38 1dke s ASP 47 CO 0.00 -1.21 1.03 0.18 0.13 0.00 0.00 175.17 175.30 1dke n LEU 48 N 8.13 2.90 0.08 -1.34 4.77 -1.26 -4.05 117.00 126.22 1dke n LEU 48 Ca 0.16 -4.36 0.11 0.00 -0.03 0.00 0.00 56.01 51.89 1dke n LEU 48 Cb 0.46 0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1dke n LEU 48 CO 0.65 1.85 -0.17 -1.54 -1.33 0.00 0.00 177.39 176.85 1dke n SER 49 N -0.26 0.66 -3.72 -1.43 3.41 -1.26 -4.87 113.62 106.15 1dke n SER 49 Ca 0.22 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 58.99 1dke n SER 49 Cb 0.75 0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 65.44 1dke n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1dke s THR 50 N -3.38 0.08 0.23 6.66 -4.23 -1.26 -5.00 115.64 108.74 1dke s THR 50 Ca -0.02 -0.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 1dke s THR 50 Cb 0.10 -1.31 0.20 0.00 1.34 0.00 0.00 72.50 72.84 1dke s THR 50 CO 0.82 -0.36 1.70 -0.65 -0.54 0.00 0.00 174.62 175.58 1dke h PRO 51 N 2.44 0.26 -0.79 3.99 0.11 -1.98 0.02 132.00 136.05 1dke h PRO 51 Ca -0.33 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.83 1dke h PRO 51 Cb 1.24 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1dke h PRO 51 CO 0.48 0.17 0.52 -0.44 -0.21 0.00 0.00 178.00 178.52 1dke h ASP 52 N 0.27 0.76 -0.01 -2.05 3.45 -1.99 -1.17 116.42 115.68 1dke h ASP 52 Ca 0.37 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.66 1dke h ASP 52 Cb 0.59 -0.16 0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1dke h ASP 52 CO -0.46 0.49 -0.66 0.00 -1.57 0.00 0.00 179.24 177.04 1dke h ALA 53 N 1.57 0.09 -0.35 3.45 0.00 -1.38 -2.49 119.26 120.15 1dke h ALA 53 Ca 0.34 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1dke h ALA 53 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1dke h ALA 53 CO -0.12 0.41 0.09 0.28 0.00 0.00 0.00 179.25 179.91 1dke h VAL 54 N -0.01 0.86 -0.45 0.00 2.07 -1.07 -0.10 116.25 117.54 1dke h VAL 54 Ca -0.08 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1dke h VAL 54 Cb 1.36 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1dke h VAL 54 CO 0.13 0.04 0.00 0.24 0.02 0.00 0.00 177.57 178.00 1dke h MET 55 N 0.22 0.74 0.00 1.57 2.07 -1.26 -3.01 114.93 115.26 1dke h MET 55 Ca 0.16 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1dke h MET 55 Cb 0.17 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 1dke h MET 55 CO -0.19 0.75 -0.28 0.78 1.07 0.00 0.00 176.91 179.03 1dke h GLY 56 N 0.95 0.00 -6.38 8.32 0.00 -1.17 -3.45 103.07 101.35 1dke h GLY 56 Ca 0.14 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.86 1dke h GLY 56 CO 0.02 0.00 1.32 -2.01 0.00 0.00 0.00 176.54 175.87 1dke n ASN 57 N -2.96 3.20 -0.13 0.19 2.85 -0.07 -4.86 115.26 113.47 1dke n ASN 57 Ca 0.03 0.58 0.19 0.00 -0.11 0.00 0.00 54.58 55.28 1dke n ASN 57 Cb 0.53 -1.43 0.59 0.00 1.24 0.00 0.00 39.78 40.72 1dke n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1dke h PRO 58 N 12.05 0.22 -0.01 1.20 0.13 -1.90 0.42 132.00 144.10 1dke h PRO 58 Ca -0.42 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 1dke h PRO 58 Cb 1.27 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1dke h PRO 58 CO 0.97 0.15 -0.78 0.87 -0.23 0.00 0.00 178.00 178.97 1dke h LYS 59 N 0.23 0.11 0.21 0.86 1.57 -1.89 0.67 116.57 118.34 1dke h LYS 59 Ca 0.36 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1dke h LYS 59 Cb 1.08 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1dke h LYS 59 CO -0.08 0.84 -0.10 0.28 -0.57 0.00 0.00 179.45 179.82 1dke h VAL 60 N 0.07 0.80 -0.31 0.50 2.07 -0.53 0.23 116.25 119.07 1dke h VAL 60 Ca -0.02 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1dke h VAL 60 Cb 1.37 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1dke h VAL 60 CO 0.11 0.01 0.01 0.11 0.02 0.00 0.00 177.57 177.83 1dke h LYS 61 N -0.31 0.47 0.31 1.57 1.57 -0.87 -2.42 116.57 116.90 1dke h LYS 61 Ca -0.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1dke h LYS 61 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1dke h LYS 61 CO 0.05 0.50 -0.15 0.00 -0.57 0.00 0.00 179.45 179.27 1dke h ALA 62 N 1.56 -0.42 -0.80 3.86 0.00 -0.25 -1.66 119.26 121.54 1dke h ALA 62 Ca 0.10 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1dke h ALA 62 Cb 0.29 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1dke h ALA 62 CO 0.01 -0.68 0.53 1.25 0.00 0.00 0.00 179.25 180.35 1dke h HIS 63 N -0.53 0.69 -0.36 0.00 -0.00 -0.83 -1.26 115.15 112.86 1dke h HIS 63 Ca -0.04 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.22 1dke h HIS 63 Cb 0.40 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1dke h HIS 63 CO -0.03 0.28 -0.28 0.78 -0.00 0.00 0.00 177.93 178.69 1dke h GLY 64 N 0.61 0.82 1.66 5.26 0.00 -1.15 -1.43 103.07 108.83 1dke h GLY 64 Ca 0.39 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1dke h GLY 64 CO -0.15 0.67 -0.54 0.07 0.00 0.00 0.00 176.54 176.58 1dke h LYS 65 N 0.64 0.36 0.07 4.80 2.10 -0.28 -1.06 116.57 123.21 1dke h LYS 65 Ca 0.08 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1dke h LYS 65 Cb 0.79 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1dke h LYS 65 CO 0.07 0.81 -0.04 -0.22 -2.00 0.00 0.00 179.45 178.07 1dke h LYS 66 N 0.28 -0.10 -0.20 0.07 3.64 -1.34 -1.80 116.57 117.13 1dke h LYS 66 Ca 0.01 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 1dke h LYS 66 Cb 1.04 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1dke h LYS 66 CO 0.09 0.22 -0.61 0.28 -2.27 0.00 0.00 179.45 177.16 1dke h VAL 67 N -0.43 1.31 0.00 2.00 2.07 -1.22 -2.95 116.25 117.03 1dke h VAL 67 Ca -0.01 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1dke h VAL 67 Cb 0.37 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1dke h VAL 67 CO 0.02 0.58 0.00 0.25 0.02 0.00 0.00 177.57 178.44 1dke h LEU 68 N 0.50 0.00 0.17 2.57 6.46 -1.17 -2.22 115.31 121.62 1dke h LEU 68 Ca -0.01 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.53 1dke h LEU 68 Cb 1.19 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.15 1dke h LEU 68 CO 0.12 0.00 -1.01 1.23 -0.62 0.00 0.00 178.44 178.16 1dke h GLY 69 N 1.99 0.40 0.98 3.75 0.00 -1.16 0.43 103.07 109.46 1dke h GLY 69 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 47.33 46.32 1dke h GLY 69 CO 0.00 0.89 0.66 0.00 0.00 0.00 0.00 176.54 178.09 1dke h ALA 70 N 0.09 1.27 -0.32 3.60 0.00 -1.35 0.22 119.26 122.77 1dke h ALA 70 Ca -0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1dke h ALA 70 Cb 1.77 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1dke h ALA 70 CO 0.17 0.63 0.16 0.35 0.00 0.00 0.00 179.25 180.56 1dke h PHE 71 N 1.33 0.45 -0.92 0.00 3.57 -1.39 -1.94 116.94 118.03 1dke h PHE 71 Ca 0.37 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.97 1dke h PHE 71 Cb -0.12 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.41 1dke h PHE 71 CO -0.00 0.38 0.59 1.03 -2.23 0.00 0.00 178.31 178.08 1dke h SER 72 N 0.38 0.79 -0.85 0.41 0.87 -0.42 -1.05 113.55 113.68 1dke h SER 72 Ca 0.11 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1dke h SER 72 Cb 0.10 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1dke h SER 72 CO -0.02 0.43 0.45 0.44 -0.53 0.00 0.00 176.83 177.61 1dke h ASP 73 N 0.86 1.08 0.36 6.23 5.19 0.03 -2.97 116.42 127.20 1dke h ASP 73 Ca 0.44 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 1dke h ASP 73 Cb 0.52 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1dke h ASP 73 CO -0.21 0.88 -0.10 1.23 -3.12 0.00 0.00 179.24 177.92 1dke h GLY 74 N 1.19 0.00 2.00 2.75 0.00 -0.46 -3.02 103.07 105.54 1dke h GLY 74 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1dke h GLY 74 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1dke n LEU 75 N -3.60 0.14 -0.04 3.11 4.77 -1.12 -1.63 117.00 118.63 1dke n LEU 75 Ca -0.02 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1dke n LEU 75 Cb 0.22 -0.53 0.45 0.00 -2.33 0.00 0.00 43.42 41.23 1dke n LEU 75 CO 0.29 -0.38 0.71 0.00 -1.33 0.00 0.00 177.39 176.68 1dke n ALA 76 N -1.56 2.99 -2.54 -1.18 0.00 -1.14 -4.07 120.51 113.01 1dke n ALA 76 Ca 0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 1dke n ALA 76 Cb 0.15 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.34 1dke n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dke n HIS 77 N -1.32 2.56 0.26 0.00 8.25 -0.65 -4.90 115.22 119.43 1dke n HIS 77 Ca 0.08 -2.98 0.14 0.00 -0.26 0.00 0.00 57.72 54.70 1dke n HIS 77 Cb 0.32 -0.19 0.82 0.00 1.12 0.00 0.00 29.99 32.07 1dke n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dke h LEU 78 N 2.73 0.00 -0.55 2.41 4.07 -1.71 -0.52 115.31 121.74 1dke h LEU 78 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1dke h LEU 78 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1dke h LEU 78 CO 0.72 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.55 1dke n ASP 79 N -4.03 0.84 -2.75 -0.43 8.00 -1.26 -1.67 116.55 115.25 1dke n ASP 79 Ca -0.02 -1.46 -0.09 0.00 0.71 0.00 0.00 54.79 53.93 1dke n ASP 79 Cb 0.15 -0.03 0.08 0.00 -0.02 0.00 0.00 41.12 41.29 1dke n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1dke n ASN 80 N -0.27 -2.31 -0.17 -2.24 4.05 -0.22 -4.70 115.26 109.39 1dke n ASN 80 Ca 0.17 -3.63 -0.07 0.00 0.45 0.00 0.00 54.58 51.50 1dke n ASN 80 Cb 0.22 1.84 0.02 0.00 1.23 0.00 0.00 39.78 43.08 1dke n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1dke h LEU 81 N 3.13 0.62 -0.25 1.20 3.38 -1.70 -2.89 115.31 118.80 1dke h LEU 81 Ca -0.10 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1dke h LEU 81 Cb 1.09 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1dke h LEU 81 CO 0.17 0.50 -0.35 0.11 0.09 0.00 0.00 178.44 178.96 1dke h LYS 82 N 0.68 -0.24 0.00 1.13 1.57 -1.89 -2.11 116.57 115.70 1dke h LYS 82 Ca 0.18 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1dke h LYS 82 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1dke h LYS 82 CO -0.03 -0.16 -0.18 0.78 -0.57 0.00 0.00 179.45 179.29 1dke h GLY 83 N -0.25 0.00 2.00 3.86 0.00 -1.95 -2.18 103.07 104.55 1dke h GLY 83 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1dke h GLY 83 CO -0.37 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 175.98 1dke h THR 84 N 0.00 0.42 -0.16 4.70 1.03 -1.17 -3.13 112.91 114.59 1dke h THR 84 Ca -0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.28 1dke h THR 84 Cb 0.46 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 1dke h THR 84 CO 0.02 0.18 0.00 0.49 -0.01 0.00 0.00 175.52 176.21 1dke n PHE 85 N -3.28 0.20 0.20 0.00 3.01 -0.96 -4.69 117.46 111.94 1dke n PHE 85 Ca 0.01 -0.14 -0.15 0.00 1.01 0.00 0.00 57.45 58.18 1dke n PHE 85 Cb 0.45 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.85 1dke n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dke h ALA 86 N 3.26 -0.63 -0.84 4.37 0.00 -1.34 0.21 119.26 124.28 1dke h ALA 86 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1dke h ALA 86 Cb 0.75 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1dke h ALA 86 CO 0.00 -0.89 0.51 1.79 0.00 0.00 0.00 179.25 180.66 1dke h THR 87 N -0.63 1.01 0.00 0.00 1.35 -1.83 0.78 112.91 113.58 1dke h THR 87 Ca -0.02 -0.31 -0.07 0.00 -0.55 0.00 0.00 66.41 65.45 1dke h THR 87 Cb 0.57 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1dke h THR 87 CO -0.05 0.17 -0.36 -0.07 -0.25 0.00 0.00 175.52 174.96 1dke h LEU 88 N 0.92 0.00 -0.21 3.87 3.38 -1.78 -2.38 115.31 119.10 1dke h LEU 88 Ca 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1dke h LEU 88 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dke h LEU 88 CO -0.19 0.36 0.01 -1.28 0.09 0.00 0.00 178.44 177.43 1dke h SER 89 N 0.00 0.36 -0.75 -0.43 0.87 0.16 -0.82 113.55 112.94 1dke h SER 89 Ca -0.00 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1dke h SER 89 Cb 0.72 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1dke h SER 89 CO 0.05 0.57 0.45 -0.33 -0.53 0.00 0.00 176.83 177.03 1dke h GLU 90 N 0.14 1.01 -0.50 2.24 5.08 -0.92 -2.12 114.58 119.51 1dke h GLU 90 Ca 0.06 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1dke h GLU 90 Cb 0.38 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1dke h GLU 90 CO 0.01 0.72 -0.08 1.25 -1.00 0.00 0.00 179.01 179.91 1dke h LEU 91 N 1.02 0.94 -1.53 1.33 5.85 -1.31 -1.78 115.31 119.84 1dke h LEU 91 Ca 0.27 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1dke h LEU 91 Cb -0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1dke h LEU 91 CO -0.05 1.06 -0.24 0.45 -0.34 0.00 0.00 178.44 179.33 1dke h HIS 92 N 0.81 0.00 0.00 1.25 3.86 -0.96 -1.76 115.15 118.34 1dke h HIS 92 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1dke h HIS 92 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1dke h HIS 92 CO 0.05 0.24 -0.00 0.00 0.86 0.00 0.00 177.93 179.07 1dke h ASP 94 N -0.00 0.35 0.03 0.00 3.45 -1.46 -2.89 116.42 115.90 1dke h ASP 94 Ca 0.00 -0.08 -0.38 0.00 0.43 0.00 0.00 57.03 57.00 1dke h ASP 94 Cb 0.00 -0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 38.62 1dke h ASP 94 CO 0.00 0.33 -2.39 1.17 -1.57 0.00 0.00 179.24 176.78 1dke n LYS 95 N -4.83 0.67 0.06 3.56 4.81 -0.79 -4.69 118.16 116.94 1dke n LYS 95 Ca -0.02 0.14 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1dke n LYS 95 Cb 0.07 -1.55 -0.05 0.00 0.02 0.00 0.00 35.03 33.52 1dke n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dke n LEU 96 N -3.19 0.55 -3.55 3.14 4.77 -0.73 -5.03 117.00 112.95 1dke n LEU 96 Ca -0.41 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 55.56 1dke n LEU 96 Cb 1.03 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 42.13 1dke n LEU 96 CO 0.32 -0.11 0.00 1.41 -1.33 0.00 0.00 177.39 177.68 1dke n HIS 97 N -2.48 -2.07 -3.75 -1.77 8.25 -0.78 -4.98 115.22 107.63 1dke n HIS 97 Ca -0.01 0.85 -0.37 0.00 -0.26 0.00 0.00 57.72 57.93 1dke n HIS 97 Cb 0.55 -4.53 -0.12 0.00 1.12 0.00 0.00 29.99 27.00 1dke n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dke s VAL 98 N -3.52 4.16 0.18 1.59 1.01 -0.88 -5.03 120.40 117.91 1dke s VAL 98 Ca 0.09 -0.44 -0.33 0.00 0.00 0.00 0.00 61.98 61.30 1dke s VAL 98 Cb -0.02 -3.05 -0.14 0.00 0.00 0.00 0.00 36.38 33.17 1dke s VAL 98 CO 0.78 0.20 1.57 -0.67 0.00 0.00 0.00 175.10 176.97 1dke n ASP 99 N 4.90 3.15 0.29 3.32 4.64 -1.26 -4.80 116.55 126.79 1dke n ASP 99 Ca -0.15 1.09 0.18 0.00 -1.38 0.00 0.00 54.79 54.53 1dke n ASP 99 Cb 0.50 -1.44 0.99 0.00 -1.04 0.00 0.00 41.12 40.12 1dke n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1dke h PRO 100 N 5.72 0.00 -0.58 -0.67 0.11 -1.97 -1.47 132.00 133.14 1dke h PRO 100 Ca -0.45 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1dke h PRO 100 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1dke h PRO 100 CO 0.87 0.00 0.40 1.49 -0.21 0.00 0.00 178.00 180.55 1dke h GLU 101 N 0.00 0.25 -0.52 1.05 4.57 -1.97 -0.50 114.58 117.46 1dke h GLU 101 Ca 0.02 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 1dke h GLU 101 Cb 0.20 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1dke h GLU 101 CO -0.00 0.17 0.36 -0.91 -1.18 0.00 0.00 179.01 177.44 1dke h ASN 102 N 0.26 0.23 -0.15 1.04 -0.26 -1.63 -1.16 115.58 113.91 1dke h ASN 102 Ca 0.27 0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.88 1dke h ASN 102 Cb 0.72 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 1dke h ASN 102 CO -0.06 0.14 -0.40 -0.26 -1.06 0.00 0.00 177.43 175.78 1dke h PHE 103 N 0.25 0.82 -0.08 1.19 0.04 -1.27 -1.36 116.94 116.52 1dke h PHE 103 Ca 0.24 -0.24 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1dke h PHE 103 Cb 0.63 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1dke h PHE 103 CO -0.00 0.98 -0.81 -0.09 -0.60 0.00 0.00 178.31 177.78 1dke h ARG 104 N 0.56 0.55 -0.43 1.51 2.43 -1.35 0.19 114.38 117.84 1dke h ARG 104 Ca 0.05 -0.49 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1dke h ARG 104 Cb 0.94 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1dke h ARG 104 CO 0.09 1.11 0.01 -0.07 -1.51 0.00 0.00 179.97 179.60 1dke h LEU 105 N 0.36 0.73 0.03 3.80 3.38 -1.15 -0.40 115.31 122.07 1dke h LEU 105 Ca -0.06 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1dke h LEU 105 Cb 1.42 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1dke h LEU 105 CO 0.15 0.86 -0.03 0.25 0.09 0.00 0.00 178.44 179.75 1dke h LEU 106 N 0.59 -0.09 -0.64 1.67 5.85 -1.12 0.42 115.31 121.99 1dke h LEU 106 Ca 0.12 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.98 1dke h LEU 106 Cb 0.48 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.42 1dke h LEU 106 CO 0.02 -0.06 -0.17 1.23 -0.34 0.00 0.00 178.44 179.13 1dke h GLY 107 N -0.08 0.45 1.87 3.75 0.00 -0.80 0.32 103.07 108.57 1dke h GLY 107 Ca 0.00 0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.38 1dke h GLY 107 CO -0.01 -0.24 -0.79 3.43 0.00 0.00 0.00 176.54 178.92 1dke h ASN 108 N -0.01 0.16 -0.02 0.19 2.35 -0.31 -2.46 115.58 115.49 1dke h ASN 108 Ca 0.31 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 1dke h ASN 108 Cb 0.47 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1dke h ASN 108 CO -0.66 0.88 -0.32 0.58 -1.65 0.00 0.00 177.43 176.26 1dke h VAL 109 N 0.08 1.28 -0.70 2.81 2.07 0.98 -2.88 116.25 119.89 1dke h VAL 109 Ca -0.02 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1dke h VAL 109 Cb 1.39 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1dke h VAL 109 CO 0.11 0.44 0.36 0.25 0.02 0.00 0.00 177.57 178.76 1dke h LEU 110 N 0.42 0.88 -1.10 2.57 5.85 -0.14 0.09 115.31 123.88 1dke h LEU 110 Ca 0.05 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1dke h LEU 110 Cb 0.77 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1dke h LEU 110 CO 0.06 0.73 0.40 0.58 -0.34 0.00 0.00 178.44 179.87 1dke h VAL 111 N 0.99 1.22 -0.62 1.05 2.07 -1.23 0.27 116.25 120.00 1dke h VAL 111 Ca 0.25 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1dke h VAL 111 Cb 0.06 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1dke h VAL 111 CO -0.04 0.25 0.05 0.00 0.02 0.00 0.00 177.57 177.85 1dke h VAL 113 N 0.97 1.29 -0.65 0.00 2.07 0.10 -1.00 116.25 119.04 1dke h VAL 113 Ca 0.18 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.48 1dke h VAL 113 Cb 0.50 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1dke h VAL 113 CO 0.02 0.41 0.35 -0.07 0.02 0.00 0.00 177.57 178.31 1dke h LEU 114 N 0.44 0.52 -0.25 2.57 3.38 -0.45 0.34 115.31 121.86 1dke h LEU 114 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dke h LEU 114 Cb 0.70 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1dke h LEU 114 CO 0.05 0.33 0.16 0.00 0.09 0.00 0.00 178.44 179.07 1dke h ALA 115 N 1.35 0.32 0.35 1.53 0.00 -1.25 0.19 119.26 121.74 1dke h ALA 115 Ca 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1dke h ALA 115 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dke h ALA 115 CO -0.19 -0.19 -0.17 1.25 0.00 0.00 0.00 179.25 179.95 1dke h HIS 116 N 0.32 -0.44 -0.80 0.00 -0.00 -0.77 0.26 115.15 113.71 1dke h HIS 116 Ca 0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1dke h HIS 116 Cb -0.00 0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.52 1dke h HIS 116 CO -0.05 -0.24 0.44 1.25 -0.00 0.00 0.00 177.93 179.33 1dke h HIS 117 N -0.54 1.11 0.00 5.26 6.17 -0.27 -3.29 115.15 123.60 1dke h HIS 117 Ca -0.05 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1dke h HIS 117 Cb 0.40 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1dke h HIS 117 CO -0.04 0.78 -1.23 1.19 0.71 0.00 0.00 177.93 179.33 1dke n PHE 118 N -4.41 0.25 -4.79 5.26 3.01 0.05 -5.08 117.46 111.75 1dke n PHE 118 Ca 0.08 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1dke n PHE 118 Cb 0.10 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1dke n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dke n GLY 119 N 1.34 2.24 0.23 1.37 0.00 0.90 -3.23 105.19 108.04 1dke n GLY 119 Ca 0.01 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.67 1dke n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dke h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.26 116.57 118.05 1dke h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1dke h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dke h LYS 120 CO 0.00 0.00 -0.04 1.49 -2.00 0.00 0.00 179.45 178.90 1dke h GLU 121 N 0.00 0.00 -3.50 0.07 4.81 -1.94 -3.31 114.58 110.71 1dke h GLU 121 Ca 0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1dke h GLU 121 Cb 0.07 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.35 1dke h GLU 121 CO 0.00 0.04 2.56 0.34 -0.73 0.00 0.00 179.01 181.23 1dke n PHE 122 N -3.13 3.02 -0.98 0.92 7.35 -0.11 -4.95 117.46 119.58 1dke n PHE 122 Ca 0.02 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 1dke n PHE 122 Cb 0.42 -2.16 0.17 0.00 0.35 0.00 0.00 39.48 38.26 1dke n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dke s THR 123 N 1.19 2.42 0.23 -2.13 -4.23 -1.25 -4.67 115.64 107.20 1dke s THR 123 Ca 0.46 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 1dke s THR 123 Cb 0.13 -2.46 0.23 0.00 1.34 0.00 0.00 72.50 71.74 1dke s THR 123 CO -0.04 -0.18 1.66 -0.65 -0.54 0.00 0.00 174.62 174.87 1dke h PRO 124 N -1.84 0.16 -0.20 3.99 0.11 -1.94 0.20 132.00 132.49 1dke h PRO 124 Ca -0.51 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 1dke h PRO 124 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1dke h PRO 124 CO 0.52 0.11 -0.43 -1.35 -0.21 0.00 0.00 178.00 176.64 1dke h PRO 125 N 0.17 0.47 -0.17 1.05 0.11 -2.00 -2.69 132.00 128.94 1dke h PRO 125 Ca 0.38 -0.24 -0.19 0.00 0.11 0.00 0.00 66.00 66.06 1dke h PRO 125 Cb 0.65 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1dke h PRO 125 CO -0.56 0.81 -0.65 0.28 -0.21 0.00 0.00 178.00 177.68 1dke h VAL 126 N 0.39 1.31 -0.84 3.15 2.07 -1.45 -2.51 116.25 118.37 1dke h VAL 126 Ca 0.03 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.65 1dke h VAL 126 Cb 0.91 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1dke h VAL 126 CO 0.08 0.60 0.56 -0.61 0.02 0.00 0.00 177.57 178.21 1dke h GLN 127 N 0.47 1.11 -0.49 1.57 4.15 -0.55 -1.86 115.11 119.51 1dke h GLN 127 Ca -0.01 -0.07 0.07 0.00 0.77 0.00 0.00 58.65 59.41 1dke h GLN 127 Cb 1.23 -0.25 -0.06 0.00 0.21 0.00 0.00 27.48 28.61 1dke h GLN 127 CO 0.13 0.73 0.15 0.00 -1.93 0.00 0.00 178.83 177.91 1dke h ALA 128 N 1.31 0.58 -0.33 3.38 0.00 -1.24 0.48 119.26 123.43 1dke h ALA 128 Ca 0.31 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1dke h ALA 128 Cb -0.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dke h ALA 128 CO -0.07 -0.25 -0.28 0.00 0.00 0.00 0.00 179.25 178.65 1dke h ALA 129 N 1.34 0.88 0.00 0.00 0.00 -1.05 -2.65 119.26 117.78 1dke h ALA 129 Ca 0.24 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1dke h ALA 129 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dke h ALA 129 CO -0.26 0.63 -0.44 1.88 0.00 0.00 0.00 179.25 181.06 1dke h TYR 130 N 0.59 0.00 -0.50 0.00 0.05 -0.32 -1.48 116.97 115.31 1dke h TYR 130 Ca 0.07 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1dke h TYR 130 Cb 0.78 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 1dke h TYR 130 CO 0.04 0.44 0.02 1.96 -1.05 0.00 0.00 178.16 179.56 1dke h GLN 131 N 0.00 0.87 -0.53 4.88 1.08 0.23 0.12 115.11 121.75 1dke h GLN 131 Ca -0.00 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1dke h GLN 131 Cb 0.84 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 1dke h GLN 131 CO 0.06 0.89 0.34 0.87 -0.95 0.00 0.00 178.83 180.04 1dke h LYS 132 N 0.73 0.71 -0.03 1.46 1.57 -1.14 -2.33 116.57 117.55 1dke h LYS 132 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1dke h LYS 132 Cb 0.49 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1dke h LYS 132 CO 0.02 0.49 0.00 0.28 -0.57 0.00 0.00 179.45 179.67 1dke h VAL 133 N 0.72 0.98 -0.31 0.50 2.07 -0.65 -0.19 116.25 119.37 1dke h VAL 133 Ca 0.19 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.62 1dke h VAL 133 Cb -0.06 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1dke h VAL 133 CO -0.04 0.00 -0.20 -0.37 0.02 0.00 0.00 177.57 176.99 1dke h VAL 134 N 0.01 1.26 -0.00 2.57 -1.51 -0.95 0.21 116.25 117.84 1dke h VAL 134 Ca 0.01 -1.20 -0.12 0.00 -1.23 0.00 0.00 66.70 64.16 1dke h VAL 134 Cb 0.01 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 1dke h VAL 134 CO -0.02 0.39 -0.57 0.00 -1.23 0.00 0.00 177.57 176.14 1dke h ALA 135 N 1.29 1.06 -0.10 5.19 0.00 -1.35 -0.87 119.26 124.47 1dke h ALA 135 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1dke h ALA 135 Cb 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dke h ALA 135 CO 0.04 0.71 -0.03 0.78 0.00 0.00 0.00 179.25 180.76 1dke h GLY 136 N 1.71 0.22 0.88 0.00 0.00 -0.41 -1.92 103.07 103.56 1dke h GLY 136 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1dke h GLY 136 CO 0.07 0.17 -0.01 -2.08 0.00 0.00 0.00 176.54 174.70 1dke h VAL 137 N -0.13 1.26 -0.91 4.60 2.07 -0.49 -1.83 116.25 120.82 1dke h VAL 137 Ca 0.03 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1dke h VAL 137 Cb 0.46 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1dke h VAL 137 CO 0.01 0.31 0.59 0.00 0.02 0.00 0.00 177.57 178.50 1dke h ALA 138 N 0.82 1.21 -0.48 1.67 0.00 -1.16 -1.01 119.26 120.31 1dke h ALA 138 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1dke h ALA 138 Cb 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1dke h ALA 138 CO 0.02 0.44 -0.12 -0.91 0.00 0.00 0.00 179.25 178.68 1dke h ASN 139 N 1.14 0.90 0.40 0.00 2.35 -1.32 -0.64 115.58 118.42 1dke h ASN 139 Ca 0.37 -0.29 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 1dke h ASN 139 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1dke h ASN 139 CO -0.12 1.03 -0.56 0.00 -1.65 0.00 0.00 177.43 176.12 1dke h ALA 140 N 1.05 0.96 0.00 -0.83 0.00 -0.89 -2.39 119.26 117.17 1dke h ALA 140 Ca 0.13 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1dke h ALA 140 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1dke h ALA 140 CO 0.05 0.70 -0.50 -0.07 0.00 0.00 0.00 179.25 179.42 1dke h LEU 141 N 0.13 0.00 0.00 0.00 3.38 -0.84 -2.73 115.31 115.25 1dke h LEU 141 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dke h LEU 141 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1dke h LEU 141 CO 0.08 0.50 -0.05 0.00 0.09 0.00 0.00 178.44 179.06 1dke n ALA 142 N -2.29 2.34 -0.16 1.53 0.00 -0.28 -4.48 120.51 117.18 1dke n ALA 142 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1dke n ALA 142 Cb 0.64 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.70 1dke n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dke h HIS 143 N 0.00 -0.02 -0.18 0.00 6.17 -1.10 -2.62 115.15 117.39 1dke h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1dke h HIS 143 Cb 0.73 0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.75 1dke h HIS 143 CO 0.00 -0.11 0.00 1.63 0.71 0.00 0.00 177.93 180.16 1dke n LYS 144 N -5.22 1.49 -2.10 5.26 4.76 -1.26 -4.94 118.16 116.14 1dke n LYS 144 Ca 0.05 -0.75 -0.38 0.00 -2.87 0.00 0.00 58.31 54.36 1dke n LYS 144 Cb 0.27 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1dke n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dke s TYR 145 N -1.76 2.73 0.00 2.13 2.02 -0.99 -4.77 117.35 116.71 1dke s TYR 145 Ca 0.19 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 1dke s TYR 145 Cb 0.10 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 1dke s TYR 145 CO 0.14 -1.96 0.00 -2.39 -1.57 0.00 0.00 175.55 169.77