#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdl s HIS 2 N 0.00 3.69 -0.10 6.34 0.09 -1.26 -4.96 115.29 119.09 1sdl s HIS 2 Ca 0.00 -2.81 -0.09 0.00 -0.00 0.00 0.00 55.06 52.16 1sdl s HIS 2 Cb 0.00 -2.90 -0.04 0.00 -0.00 0.00 0.00 32.58 29.63 1sdl s HIS 2 CO 0.00 -0.95 0.20 -0.51 -0.00 0.00 0.00 174.74 173.48 1sdl s LEU 3 N 0.97 4.40 1.05 0.89 1.43 -1.26 -5.11 118.68 121.05 1sdl s LEU 3 Ca 0.09 0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 53.59 1sdl s LEU 3 Cb -0.20 -2.18 0.22 0.00 0.03 0.00 0.00 46.19 44.06 1sdl s LEU 3 CO -0.07 0.38 1.20 0.42 0.23 0.00 0.00 176.35 178.51 1sdl s THR 4 N -0.97 1.84 0.26 5.49 -4.23 -1.26 -4.76 115.64 112.00 1sdl s THR 4 Ca 0.17 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1sdl s THR 4 Cb -0.13 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.01 1sdl s THR 4 CO 0.06 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.15 1sdl h PRO 5 N -2.00 0.47 -0.64 3.99 0.11 -2.00 -1.67 132.00 130.26 1sdl h PRO 5 Ca -0.46 -0.21 -0.08 0.00 0.11 0.00 0.00 66.00 65.36 1sdl h PRO 5 Cb 1.28 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1sdl h PRO 5 CO 0.41 0.76 0.10 0.93 -0.21 0.00 0.00 178.00 179.99 1sdl h GLU 6 N 0.40 1.07 -0.17 1.05 3.07 -2.00 -2.90 114.58 115.10 1sdl h GLU 6 Ca 0.05 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1sdl h GLU 6 Cb 0.79 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1sdl h GLU 6 CO 0.06 0.99 0.04 0.93 -1.40 0.00 0.00 179.01 179.64 1sdl h GLU 7 N 0.99 0.28 -0.99 2.33 5.08 -1.82 -1.22 114.58 119.23 1sdl h GLU 7 Ca 0.19 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.60 1sdl h GLU 7 Cb 0.45 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1sdl h GLU 7 CO 0.01 0.43 0.63 0.87 -1.00 0.00 0.00 179.01 179.95 1sdl h LYS 8 N 0.09 0.94 -0.16 2.33 1.57 -1.26 -0.09 116.57 119.98 1sdl h LYS 8 Ca 0.05 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1sdl h LYS 8 Cb 0.28 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1sdl h LYS 8 CO 0.00 0.62 -0.13 1.03 -0.57 0.00 0.00 179.45 180.40 1sdl h SER 9 N 0.97 0.39 -0.69 0.86 0.87 -1.44 -2.33 113.55 112.18 1sdl h SER 9 Ca 0.49 -0.46 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1sdl h SER 9 Cb 0.50 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1sdl h SER 9 CO -0.25 0.77 0.34 0.00 -0.53 0.00 0.00 176.83 177.16 1sdl h ALA 10 N 0.64 0.89 -0.27 6.23 0.00 -0.58 0.74 119.26 126.90 1sdl h ALA 10 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sdl h ALA 10 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sdl h ALA 10 CO 0.03 0.44 0.16 0.28 0.00 0.00 0.00 179.25 180.17 1sdl h VAL 11 N 0.96 1.04 -0.41 0.00 2.07 -1.04 -2.53 116.25 116.32 1sdl h VAL 11 Ca 0.24 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1sdl h VAL 11 Cb 0.11 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1sdl h VAL 11 CO -0.03 0.06 0.12 0.74 0.02 0.00 0.00 177.57 178.48 1sdl h THR 12 N 0.33 1.22 -0.40 2.57 2.02 -1.16 -1.57 112.91 115.92 1sdl h THR 12 Ca 0.10 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1sdl h THR 12 Cb -0.01 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1sdl h THR 12 CO -0.04 0.26 0.14 0.00 0.37 0.00 0.00 175.52 176.25 1sdl h ALA 13 N 0.97 0.47 -0.21 6.16 0.00 -0.69 -2.83 119.26 123.13 1sdl h ALA 13 Ca 0.13 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1sdl h ALA 13 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sdl h ALA 13 CO -0.00 -0.24 -0.35 1.25 0.00 0.00 0.00 179.25 179.90 1sdl h LEU 14 N 0.31 0.68 -1.82 0.00 5.85 -1.33 -3.12 115.31 115.87 1sdl h LEU 14 Ca 0.18 -0.53 0.14 0.00 0.84 0.00 0.00 57.88 58.51 1sdl h LEU 14 Cb 0.16 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1sdl h LEU 14 CO -0.18 1.08 0.41 -0.25 -0.34 0.00 0.00 178.44 179.16 1sdl h TRP 15 N 0.30 0.21 0.00 1.25 2.91 -1.14 -0.90 115.95 118.58 1sdl h TRP 15 Ca 0.02 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1sdl h TRP 15 Cb 0.94 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1sdl h TRP 15 CO 0.09 0.09 -0.10 0.78 -1.03 0.00 0.00 178.44 178.27 1sdl h GLY 16 N 0.19 0.00 -1.31 2.65 0.00 -1.44 -2.30 103.07 100.86 1sdl h GLY 16 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1sdl h GLY 16 CO -0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.77 1sdl n LYS 17 N -3.82 2.05 -2.46 4.80 5.02 -0.35 -4.94 118.16 118.45 1sdl n LYS 17 Ca -0.02 -1.52 -0.42 0.00 -2.02 0.00 0.00 58.31 54.32 1sdl n LYS 17 Cb 0.19 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1sdl n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sdl s VAL 18 N -1.97 4.18 -0.62 -0.18 1.01 -0.87 -4.97 120.40 116.98 1sdl s VAL 18 Ca 0.33 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 1sdl s VAL 18 Cb 0.20 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1sdl s VAL 18 CO 0.31 0.09 1.25 0.21 0.00 0.00 0.00 175.10 176.96 1sdl s ASN 19 N 1.17 6.32 0.41 3.32 2.47 -1.26 -4.89 114.94 122.47 1sdl s ASN 19 Ca 0.57 -0.02 0.29 0.00 0.42 0.00 0.00 52.86 54.11 1sdl s ASN 19 Cb -0.27 -2.55 1.45 0.00 -1.45 0.00 0.00 41.25 38.42 1sdl s ASN 19 CO 0.27 -1.62 1.87 0.58 -3.72 0.00 0.00 177.10 174.48 1sdl h VAL 20 N 6.16 0.00 0.02 -5.21 2.07 -1.96 -2.29 116.25 115.03 1sdl h VAL 20 Ca -0.26 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 1sdl h VAL 20 Cb 1.06 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1sdl h VAL 20 CO 1.21 0.00 -1.39 0.44 0.02 0.00 0.00 177.57 177.85 1sdl h ASP 21 N 0.00 0.06 0.00 0.57 3.32 -1.97 -3.42 116.42 114.98 1sdl h ASP 21 Ca 0.00 -0.09 -0.26 0.00 0.02 0.00 0.00 57.03 56.70 1sdl h ASP 21 Cb 0.13 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1sdl h ASP 21 CO 0.00 1.08 -1.64 -0.62 -1.72 0.00 0.00 179.24 176.34 1sdl n GLU 22 N -3.24 0.55 -0.24 3.56 4.71 -1.12 -4.47 120.64 120.39 1sdl n GLU 22 Ca -0.10 0.38 0.05 0.00 -0.01 0.00 0.00 57.16 57.48 1sdl n GLU 22 Cb 1.00 -1.58 0.17 0.00 -1.01 0.00 0.00 31.44 30.02 1sdl n GLU 22 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1sdl h VAL 23 N -1.00 0.59 -0.75 2.62 2.07 -1.67 -0.50 116.25 117.61 1sdl h VAL 23 Ca -0.39 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1sdl h VAL 23 Cb 1.27 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1sdl h VAL 23 CO -0.23 0.06 0.27 1.23 0.02 0.00 0.00 177.57 178.92 1sdl h GLY 24 N 0.33 1.23 1.13 2.17 0.00 -1.80 0.44 103.07 106.58 1sdl h GLY 24 Ca 0.40 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1sdl h GLY 24 CO -0.45 0.65 -0.10 -1.33 0.00 0.00 0.00 176.54 175.31 1sdl h GLY 25 N 1.10 1.10 0.88 4.60 0.00 -1.57 -0.95 103.07 108.22 1sdl h GLY 25 Ca 0.25 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1sdl h GLY 25 CO -0.02 0.80 0.07 0.83 0.00 0.00 0.00 176.54 178.22 1sdl h GLU 26 N 0.90 0.38 -0.08 4.80 5.08 -0.74 0.19 114.58 125.11 1sdl h GLU 26 Ca 0.14 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1sdl h GLU 26 Cb 0.66 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1sdl h GLU 26 CO 0.05 0.48 0.02 0.00 -1.00 0.00 0.00 179.01 178.56 1sdl h ALA 27 N 0.89 0.11 -0.55 3.43 0.00 -0.82 -0.35 119.26 121.97 1sdl h ALA 27 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sdl h ALA 27 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sdl h ALA 27 CO -0.00 -0.27 0.26 1.25 0.00 0.00 0.00 179.25 180.49 1sdl h LEU 28 N -0.07 0.72 -0.17 0.00 5.85 -1.12 -1.61 115.31 118.91 1sdl h LEU 28 Ca 0.03 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1sdl h LEU 28 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1sdl h LEU 28 CO -0.00 0.66 0.10 1.23 -0.34 0.00 0.00 178.44 180.08 1sdl h GLY 29 N 0.74 0.23 1.59 3.75 0.00 -0.54 -2.03 103.07 106.81 1sdl h GLY 29 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1sdl h GLY 29 CO -0.02 0.07 0.07 3.21 0.00 0.00 0.00 176.54 179.86 1sdl h ARG 30 N 0.20 0.53 -0.37 4.80 3.08 -0.87 -1.64 114.38 120.12 1sdl h ARG 30 Ca 0.07 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sdl h ARG 30 Cb -0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1sdl h ARG 30 CO -0.03 0.50 0.22 1.25 -1.07 0.00 0.00 179.97 180.84 1sdl h LEU 31 N 0.52 0.37 -1.24 3.04 5.85 -0.77 0.88 115.31 123.95 1sdl h LEU 31 Ca 0.12 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1sdl h LEU 31 Cb 0.23 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1sdl h LEU 31 CO -0.00 0.27 0.03 -0.07 -0.34 0.00 0.00 178.44 178.33 1sdl h LEU 32 N 0.45 0.51 0.05 2.25 3.38 -0.71 -1.06 115.31 120.18 1sdl h LEU 32 Ca 0.14 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1sdl h LEU 32 Cb -0.01 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1sdl h LEU 32 CO -0.06 0.56 -0.36 0.58 0.09 0.00 0.00 178.44 179.26 1sdl h VAL 33 N 0.53 1.62 -0.17 1.22 2.07 -0.93 -3.32 116.25 117.27 1sdl h VAL 33 Ca 0.12 -2.29 -0.20 0.00 0.82 0.00 0.00 66.70 65.14 1sdl h VAL 33 Cb 0.30 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1sdl h VAL 33 CO 0.01 0.62 -0.70 0.58 0.02 0.00 0.00 177.57 178.10 1sdl h VAL 34 N -0.63 1.30 -2.79 2.57 2.07 -0.83 -3.38 116.25 114.57 1sdl h VAL 34 Ca -0.06 -1.93 -0.61 0.00 0.82 0.00 0.00 66.70 64.92 1sdl h VAL 34 Cb 1.22 1.90 -0.42 0.00 -1.52 0.00 0.00 31.29 32.48 1sdl h VAL 34 CO 0.07 0.61 -0.59 -1.22 0.02 0.00 0.00 177.57 176.45 1sdl n TYR 35 N -3.94 3.22 -0.25 1.57 4.01 -0.41 -4.99 117.16 116.38 1sdl n TYR 35 Ca -0.06 -4.23 0.28 0.00 -0.16 0.00 0.00 57.90 53.73 1sdl n TYR 35 Cb 0.70 -0.58 0.66 0.00 -0.31 0.00 0.00 39.34 39.81 1sdl n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1sdl h PRO 36 N 5.01 0.12 0.00 -0.72 0.14 -1.75 0.12 132.00 134.92 1sdl h PRO 36 Ca 0.17 -0.01 -0.01 0.00 0.14 0.00 0.00 66.00 66.29 1sdl h PRO 36 Cb 0.73 -0.03 -0.00 0.00 0.14 0.00 0.00 31.00 31.84 1sdl h PRO 36 CO 0.74 0.08 -0.04 0.11 0.14 0.00 0.00 178.00 179.03 1sdl h TRP 37 N 0.13 0.00 0.00 1.56 0.09 -1.93 -1.29 115.95 114.51 1sdl h TRP 37 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.48 1sdl h TRP 37 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.00 1sdl h TRP 37 CO -0.00 0.04 0.00 1.79 0.09 0.00 0.00 178.44 180.36 1sdl h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.29 -2.46 112.91 110.63 1sdl h THR 38 Ca -0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1sdl h THR 38 Cb 0.14 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1sdl h THR 38 CO 0.01 0.00 -0.09 1.56 -0.25 0.00 0.00 175.52 176.75 1sdl h GLN 39 N 0.00 0.00 -0.94 4.72 4.20 -1.42 -2.50 115.11 119.16 1sdl h GLN 39 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1sdl h GLN 39 Cb 0.25 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 1sdl h GLN 39 CO 0.00 0.09 0.60 -0.09 -0.67 0.00 0.00 178.83 178.76 1sdl h ARG 40 N 0.00 0.56 0.00 1.46 2.43 -1.63 0.47 114.38 117.67 1sdl h ARG 40 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sdl h ARG 40 Cb 0.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1sdl h ARG 40 CO 0.01 0.37 0.00 1.19 -1.51 0.00 0.00 179.97 180.04 1sdl n PHE 41 N -4.60 0.19 -1.56 2.20 3.72 -0.94 -3.58 117.46 112.88 1sdl n PHE 41 Ca 0.20 0.06 0.07 0.00 -0.05 0.00 0.00 57.45 57.73 1sdl n PHE 41 Cb 0.62 -0.60 0.14 0.00 -0.94 0.00 0.00 39.48 38.70 1sdl n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1sdl n PHE 42 N -1.66 0.00 0.04 1.38 3.72 0.13 -4.86 117.46 116.21 1sdl n PHE 42 Ca 0.06 -1.05 0.18 0.00 -0.05 0.00 0.00 57.45 56.60 1sdl n PHE 42 Cb 0.32 -0.18 0.69 0.00 -0.94 0.00 0.00 39.48 39.37 1sdl n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sdl h GLU 43 N 0.54 0.00 -0.51 -1.08 5.08 -1.54 0.76 114.58 117.84 1sdl h GLU 43 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sdl h GLU 43 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sdl h GLU 43 CO 0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 1sdl n SER 44 N -4.38 2.72 -0.03 1.42 3.41 -1.26 -4.07 113.62 111.42 1sdl n SER 44 Ca 0.08 -2.04 0.15 0.00 -0.26 0.00 0.00 58.87 56.80 1sdl n SER 44 Cb 0.52 -0.35 0.80 0.00 -0.26 0.00 0.00 64.21 64.93 1sdl n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1sdl n PHE 45 N 0.90 0.00 0.00 7.33 3.01 0.26 -5.04 117.46 123.93 1sdl n PHE 45 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1sdl n PHE 45 Cb 0.44 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1sdl n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sdl n GLY 46 N 1.18 -0.46 3.64 1.37 0.00 -1.26 -4.78 105.19 104.88 1sdl n GLY 46 Ca 0.18 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1sdl n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sdl s ASP 47 N -4.00 6.40 -0.07 1.61 2.15 -1.26 -4.83 116.67 116.67 1sdl s ASP 47 Ca 0.00 1.81 0.10 0.00 0.43 0.00 0.00 52.55 54.89 1sdl s ASP 47 Cb 0.00 -2.53 0.15 0.00 -0.30 0.00 0.00 42.92 40.24 1sdl s ASP 47 CO 0.00 -1.21 1.06 0.18 -0.17 0.00 0.00 175.17 175.02 1sdl n LEU 48 N 8.30 1.99 0.28 -1.34 4.77 -1.26 -4.06 117.00 125.68 1sdl n LEU 48 Ca 0.19 -2.43 0.18 0.00 -0.03 0.00 0.00 56.01 53.92 1sdl n LEU 48 Cb 0.45 -0.22 0.82 0.00 -2.33 0.00 0.00 43.42 42.13 1sdl n LEU 48 CO 0.64 0.58 1.04 0.77 -1.33 0.00 0.00 177.39 179.08 1sdl h SER 49 N 0.00 0.00 -5.32 -1.43 4.64 -1.92 -3.43 113.55 106.09 1sdl h SER 49 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1sdl h SER 49 Cb 0.83 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.77 1sdl h SER 49 CO 0.00 0.00 -0.62 0.42 -0.87 0.00 0.00 176.83 175.76 1sdl s THR 50 N -3.78 0.15 0.23 2.95 -4.23 -1.26 -5.02 115.64 104.68 1sdl s THR 50 Ca -0.00 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 1sdl s THR 50 Cb 0.10 -1.77 0.19 0.00 1.34 0.00 0.00 72.50 72.36 1sdl s THR 50 CO 0.49 -0.69 1.79 -0.65 -0.54 0.00 0.00 174.62 175.02 1sdl h PRO 51 N 2.95 0.63 -0.07 3.99 0.11 -1.99 -1.35 132.00 136.28 1sdl h PRO 51 Ca -0.34 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 1sdl h PRO 51 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1sdl h PRO 51 CO 0.61 0.42 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.90 1sdl h ASP 52 N 0.65 0.18 -0.40 -2.05 3.32 -1.97 -0.75 116.42 115.40 1sdl h ASP 52 Ca 0.37 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1sdl h ASP 52 Cb 0.39 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1sdl h ASP 52 CO -0.27 0.63 0.12 0.00 -1.72 0.00 0.00 179.24 178.00 1sdl h ALA 53 N 1.38 0.53 0.22 3.45 0.00 -1.60 -2.06 119.26 121.18 1sdl h ALA 53 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1sdl h ALA 53 Cb 0.89 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sdl h ALA 53 CO 0.07 0.18 -0.11 0.28 0.00 0.00 0.00 179.25 179.68 1sdl h VAL 54 N 0.51 0.84 -0.74 0.00 2.07 -1.14 -2.64 116.25 115.14 1sdl h VAL 54 Ca 0.13 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1sdl h VAL 54 Cb 0.28 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1sdl h VAL 54 CO -0.00 0.15 0.37 0.24 0.02 0.00 0.00 177.57 178.35 1sdl h MET 55 N -0.70 1.06 -0.06 1.57 2.07 -1.15 -2.50 114.93 115.22 1sdl h MET 55 Ca -0.03 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.46 1sdl h MET 55 Cb 0.48 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1sdl h MET 55 CO 0.05 0.81 0.00 0.41 1.07 0.00 0.00 176.91 179.25 1sdl n GLY 56 N -1.10 0.16 3.64 8.32 0.00 -0.78 -4.79 105.19 110.65 1sdl n GLY 56 Ca 0.07 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1sdl n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sdl s ASN 57 N -1.88 6.11 0.37 1.61 3.84 -0.94 -4.88 114.94 119.16 1sdl s ASN 57 Ca 0.36 2.23 0.11 0.00 0.21 0.00 0.00 52.86 55.77 1sdl s ASN 57 Cb 0.20 -2.52 0.89 0.00 -0.55 0.00 0.00 41.25 39.27 1sdl s ASN 57 CO 0.31 -1.39 1.85 -0.65 -2.79 0.00 0.00 177.10 174.44 1sdl h PRO 58 N 12.08 0.59 -0.14 0.43 0.10 -1.90 -1.87 132.00 141.30 1sdl h PRO 58 Ca -0.44 -0.04 -0.17 0.00 0.10 0.00 0.00 66.00 65.45 1sdl h PRO 58 Cb 1.22 -0.13 -0.00 0.00 0.10 0.00 0.00 31.00 32.18 1sdl h PRO 58 CO 0.96 0.39 -0.63 0.87 0.10 0.00 0.00 178.00 179.69 1sdl h LYS 59 N 0.61 0.50 -0.07 1.05 1.57 -1.90 -1.82 116.57 116.50 1sdl h LYS 59 Ca 0.48 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1sdl h LYS 59 Cb 0.90 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1sdl h LYS 59 CO -0.22 0.97 0.02 0.28 -0.57 0.00 0.00 179.45 179.93 1sdl h VAL 60 N 0.36 1.17 -0.25 0.50 2.07 -1.68 -0.38 116.25 118.04 1sdl h VAL 60 Ca -0.01 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1sdl h VAL 60 Cb 1.19 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1sdl h VAL 60 CO 0.11 0.15 -0.04 0.11 0.02 0.00 0.00 177.57 177.92 1sdl h LYS 61 N -0.08 0.03 -0.44 1.57 1.57 -1.37 0.14 116.57 118.00 1sdl h LYS 61 Ca 0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1sdl h LYS 61 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1sdl h LYS 61 CO -0.00 0.02 0.23 0.00 -0.57 0.00 0.00 179.45 179.13 1sdl h ALA 62 N 1.23 0.56 -0.52 3.86 0.00 -1.26 -2.46 119.26 120.68 1sdl h ALA 62 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sdl h ALA 62 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1sdl h ALA 62 CO -0.23 0.10 0.06 1.25 0.00 0.00 0.00 179.25 180.43 1sdl h HIS 63 N 0.57 0.87 -0.64 0.00 -0.00 -0.63 -2.93 115.15 112.39 1sdl h HIS 63 Ca 0.15 -0.10 0.05 0.00 -0.00 0.00 0.00 60.37 60.46 1sdl h HIS 63 Cb 0.08 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.20 1sdl h HIS 63 CO -0.02 0.77 0.43 0.78 -0.00 0.00 0.00 177.93 179.89 1sdl h GLY 64 N 0.98 0.85 1.02 5.26 0.00 -0.27 -1.74 103.07 109.16 1sdl h GLY 64 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1sdl h GLY 64 CO 0.01 0.23 0.27 1.70 0.00 0.00 0.00 176.54 178.75 1sdl h LYS 65 N 0.71 1.03 -0.39 4.80 3.64 -1.29 0.11 116.57 125.19 1sdl h LYS 65 Ca 0.27 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1sdl h LYS 65 Cb 0.16 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1sdl h LYS 65 CO -0.08 0.86 -0.03 0.87 -2.27 0.00 0.00 179.45 178.80 1sdl h LYS 66 N 0.98 0.71 -0.57 1.90 1.57 -1.36 -0.84 116.57 118.96 1sdl h LYS 66 Ca 0.23 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1sdl h LYS 66 Cb 0.22 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1sdl h LYS 66 CO -0.02 0.82 0.26 0.28 -0.57 0.00 0.00 179.45 180.22 1sdl h VAL 67 N 0.53 0.87 -0.14 0.50 2.07 -1.16 -0.80 116.25 118.12 1sdl h VAL 67 Ca 0.11 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1sdl h VAL 67 Cb 0.52 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1sdl h VAL 67 CO 0.03 0.09 -0.25 0.25 0.02 0.00 0.00 177.57 177.71 1sdl h LEU 68 N 0.48 0.24 -0.63 2.57 6.46 -0.68 -2.47 115.31 121.28 1sdl h LEU 68 Ca 0.27 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1sdl h LEU 68 Cb 0.25 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1sdl h LEU 68 CO -0.23 0.49 0.39 1.23 -0.62 0.00 0.00 178.44 179.70 1sdl h GLY 69 N 0.95 0.91 1.14 3.75 0.00 0.20 -0.57 103.07 109.45 1sdl h GLY 69 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1sdl h GLY 69 CO 0.04 0.36 0.35 0.00 0.00 0.00 0.00 176.54 177.29 1sdl h ALA 70 N 1.20 1.17 -0.55 3.60 0.00 -0.82 -1.69 119.26 122.17 1sdl h ALA 70 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1sdl h ALA 70 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1sdl h ALA 70 CO -0.04 0.62 0.19 0.74 0.00 0.00 0.00 179.25 180.75 1sdl h PHE 71 N 1.09 0.87 -0.69 0.00 -1.00 -1.02 -1.93 116.94 114.26 1sdl h PHE 71 Ca 0.26 -0.08 0.08 0.00 2.81 0.00 0.00 57.97 61.04 1sdl h PHE 71 Cb 0.14 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.38 1sdl h PHE 71 CO 0.01 0.72 0.36 0.77 -1.61 0.00 0.00 178.31 178.56 1sdl h SER 72 N 0.76 0.49 -0.59 2.17 0.02 -0.48 -1.15 113.55 114.76 1sdl h SER 72 Ca 0.18 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1sdl h SER 72 Cb 0.25 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1sdl h SER 72 CO -0.01 0.30 0.32 -0.78 -1.14 0.00 0.00 176.83 175.52 1sdl h ASP 73 N 0.63 0.48 -0.70 3.07 3.58 -0.85 -1.98 116.42 120.65 1sdl h ASP 73 Ca 0.33 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 1sdl h ASP 73 Cb 0.30 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1sdl h ASP 73 CO -0.23 0.32 0.38 1.23 -2.88 0.00 0.00 179.24 178.05 1sdl h GLY 74 N 0.62 1.05 0.69 -0.78 0.00 -0.58 -2.42 103.07 101.64 1sdl h GLY 74 Ca 0.26 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 47.18 1sdl h GLY 74 CO -0.16 0.46 0.61 1.41 0.00 0.00 0.00 176.54 178.86 1sdl h LEU 75 N 0.96 0.96 0.00 3.11 3.38 -0.54 -0.71 115.31 122.46 1sdl h LEU 75 Ca 0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1sdl h LEU 75 Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1sdl h LEU 75 CO -0.04 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1sdl n ALA 76 N -2.36 2.38 -2.68 1.53 0.00 -0.81 -3.87 120.51 114.71 1sdl n ALA 76 Ca 0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1sdl n ALA 76 Cb 0.21 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.26 1sdl n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sdl n HIS 77 N -1.22 0.86 -0.06 0.00 8.25 -0.32 -4.94 115.22 117.80 1sdl n HIS 77 Ca 0.15 -2.67 0.22 0.00 -0.26 0.00 0.00 57.72 55.16 1sdl n HIS 77 Cb 0.19 -0.21 0.69 0.00 1.12 0.00 0.00 29.99 31.78 1sdl n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sdl h LEU 78 N 2.88 0.02 -0.49 2.41 3.38 -1.56 -0.26 115.31 121.70 1sdl h LEU 78 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sdl h LEU 78 Cb 1.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1sdl h LEU 78 CO 0.43 0.01 -0.01 -0.90 0.09 0.00 0.00 178.44 178.06 1sdl n ASP 79 N -4.35 0.78 -2.73 -0.43 5.75 -1.26 -4.08 116.55 110.23 1sdl n ASP 79 Ca 0.12 -1.21 -0.05 0.00 -0.01 0.00 0.00 54.79 53.65 1sdl n ASP 79 Cb 0.70 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.85 1sdl n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1sdl n ASN 80 N -0.42 0.60 -0.12 -1.12 5.15 -0.12 -4.94 115.26 114.29 1sdl n ASN 80 Ca 0.21 -2.36 -0.05 0.00 -0.60 0.00 0.00 54.58 51.77 1sdl n ASN 80 Cb 0.25 -0.12 0.03 0.00 -0.53 0.00 0.00 39.78 39.40 1sdl n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1sdl h LEU 81 N 2.44 0.01 -0.99 1.20 4.07 -1.67 0.14 115.31 120.51 1sdl h LEU 81 Ca -0.19 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1sdl h LEU 81 Cb 1.25 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 43.03 1sdl h LEU 81 CO 0.21 0.04 0.50 0.11 -1.08 0.00 0.00 178.44 178.22 1sdl h LYS 82 N 0.20 1.20 -0.42 1.13 1.57 -1.91 -0.76 116.57 117.58 1sdl h LYS 82 Ca 0.19 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1sdl h LYS 82 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1sdl h LYS 82 CO -0.24 0.86 -0.22 0.78 -0.57 0.00 0.00 179.45 180.06 1sdl h GLY 83 N 1.23 0.97 1.09 3.86 0.00 -1.75 -2.35 103.07 106.11 1sdl h GLY 83 Ca 0.31 -0.88 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1sdl h GLY 83 CO -0.05 0.80 0.33 -0.84 0.00 0.00 0.00 176.54 176.78 1sdl h THR 84 N 0.72 1.26 -0.65 4.70 2.02 -0.19 -3.09 112.91 117.68 1sdl h THR 84 Ca 0.09 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1sdl h THR 84 Cb 0.79 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1sdl h THR 84 CO 0.06 0.33 0.00 0.49 0.37 0.00 0.00 175.52 176.77 1sdl n PHE 85 N -4.29 1.25 -0.11 3.16 3.72 -0.34 -4.60 117.46 116.25 1sdl n PHE 85 Ca 0.07 -0.58 -0.05 0.00 -0.05 0.00 0.00 57.45 56.84 1sdl n PHE 85 Cb 0.18 -0.16 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 1sdl n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sdl h ALA 86 N 3.96 0.18 -0.06 4.37 0.00 -1.34 0.67 119.26 127.04 1sdl h ALA 86 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1sdl h ALA 86 Cb 1.27 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1sdl h ALA 86 CO 0.15 -0.50 -0.68 1.79 0.00 0.00 0.00 179.25 180.01 1sdl h THR 87 N -0.06 1.41 -0.34 0.00 1.35 -1.84 -2.58 112.91 110.85 1sdl h THR 87 Ca 0.19 -2.14 -0.07 0.00 -0.55 0.00 0.00 66.41 63.84 1sdl h THR 87 Cb 0.35 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1sdl h THR 87 CO -0.43 0.63 -0.09 0.25 -0.25 0.00 0.00 175.52 175.64 1sdl h LEU 88 N 0.18 0.54 0.06 3.87 5.85 -1.73 0.53 115.31 124.62 1sdl h LEU 88 Ca -0.02 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1sdl h LEU 88 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1sdl h LEU 88 CO 0.11 0.67 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.57 1sdl h SER 89 N 0.53 -0.07 -0.71 1.25 0.87 -0.73 0.16 113.55 114.84 1sdl h SER 89 Ca 0.10 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1sdl h SER 89 Cb 0.47 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1sdl h SER 89 CO 0.03 0.02 0.40 -0.08 -0.53 0.00 0.00 176.83 176.66 1sdl h GLU 90 N -0.16 0.98 -0.37 2.24 4.81 -1.20 -0.90 114.58 119.97 1sdl h GLU 90 Ca -0.01 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1sdl h GLU 90 Cb 0.14 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1sdl h GLU 90 CO 0.01 0.72 0.24 1.25 -0.73 0.00 0.00 179.01 180.51 1sdl h LEU 91 N 0.97 0.43 -1.14 1.64 5.85 -0.53 0.24 115.31 122.77 1sdl h LEU 91 Ca 0.25 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1sdl h LEU 91 Cb 0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1sdl h LEU 91 CO -0.04 0.32 -0.36 0.45 -0.34 0.00 0.00 178.44 178.47 1sdl h HIS 92 N 0.50 0.00 0.00 1.25 3.86 -0.26 -2.30 115.15 118.21 1sdl h HIS 92 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1sdl h HIS 92 Cb -0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1sdl h HIS 92 CO -0.05 0.36 -0.25 0.00 0.86 0.00 0.00 177.93 178.86 1sdl h ASP 94 N -0.87 0.82 0.01 0.00 3.32 -1.08 -2.91 116.42 115.71 1sdl h ASP 94 Ca 0.00 -0.51 -0.26 0.00 0.02 0.00 0.00 57.03 56.28 1sdl h ASP 94 Cb 0.25 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1sdl h ASP 94 CO 0.00 1.17 -1.42 0.29 -1.72 0.00 0.00 179.24 177.56 1sdl n LYS 95 N -4.17 0.58 0.06 3.56 4.01 -0.97 -4.65 118.16 116.57 1sdl n LYS 95 Ca -0.04 0.53 0.05 0.00 -0.51 0.00 0.00 58.31 58.34 1sdl n LYS 95 Cb 0.53 -1.72 -0.05 0.00 -0.51 0.00 0.00 35.03 33.28 1sdl n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sdl n LEU 96 N -4.36 0.80 -3.59 -0.35 4.77 -0.90 -5.00 117.00 108.38 1sdl n LEU 96 Ca -0.34 0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1sdl n LEU 96 Cb 0.72 0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.91 1sdl n LEU 96 CO 0.19 -0.01 0.23 1.41 -1.33 0.00 0.00 177.39 177.88 1sdl n HIS 97 N -2.76 -2.80 -2.87 -1.77 8.25 -0.55 -4.97 115.22 107.76 1sdl n HIS 97 Ca -0.05 1.01 -0.41 0.00 -0.26 0.00 0.00 57.72 58.00 1sdl n HIS 97 Cb 0.70 -5.03 -0.04 0.00 1.12 0.00 0.00 29.99 26.75 1sdl n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sdl s VAL 98 N -3.33 4.92 0.26 1.59 1.01 -0.57 -5.02 120.40 119.26 1sdl s VAL 98 Ca 0.52 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.94 1sdl s VAL 98 Cb -0.23 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1sdl s VAL 98 CO 0.73 0.14 1.38 -0.62 0.00 0.00 0.00 175.10 176.74 1sdl s ASP 99 N 0.98 6.73 0.31 3.32 -1.08 -1.26 -4.77 116.67 120.91 1sdl s ASP 99 Ca 0.43 2.61 0.23 0.00 -0.52 0.00 0.00 52.55 55.31 1sdl s ASP 99 Cb -0.18 -2.63 1.14 0.00 -1.46 0.00 0.00 42.92 39.79 1sdl s ASP 99 CO 0.20 -0.62 1.70 -2.65 0.52 0.00 0.00 175.17 174.32 1sdl n PRO 100 N 2.06 0.17 0.23 4.34 -0.02 -1.26 -1.86 135.00 138.66 1sdl n PRO 100 Ca 0.05 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 1sdl n PRO 100 Cb 0.41 -1.95 0.59 0.00 -0.02 0.00 0.00 33.50 32.54 1sdl n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sdl h GLU 101 N 0.00 0.04 0.00 -0.52 4.57 -1.98 -1.83 114.58 114.86 1sdl h GLU 101 Ca 0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1sdl h GLU 101 Cb 0.15 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1sdl h GLU 101 CO 0.00 0.07 -0.13 -0.91 -1.18 0.00 0.00 179.01 176.85 1sdl h ASN 102 N 0.04 0.00 -0.07 1.04 4.21 -1.75 -2.07 115.58 116.98 1sdl h ASN 102 Ca 0.01 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.37 1sdl h ASN 102 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1sdl h ASN 102 CO 0.00 0.13 -0.45 -0.26 -1.29 0.00 0.00 177.43 175.57 1sdl h PHE 103 N 0.00 0.75 -0.46 1.19 0.04 -1.50 -0.70 116.94 116.25 1sdl h PHE 103 Ca -0.00 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 1sdl h PHE 103 Cb 0.39 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1sdl h PHE 103 CO 0.00 0.96 0.14 0.00 -0.60 0.00 0.00 178.31 178.80 1sdl h ARG 104 N 0.50 0.72 -0.53 1.51 3.08 -1.43 -1.87 114.38 116.36 1sdl h ARG 104 Ca 0.03 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1sdl h ARG 104 Cb 0.98 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1sdl h ARG 104 CO 0.09 0.69 0.26 -0.07 -1.07 0.00 0.00 179.97 179.87 1sdl h LEU 105 N 0.61 0.69 -0.62 3.04 3.38 -1.21 -1.94 115.31 119.27 1sdl h LEU 105 Ca 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1sdl h LEU 105 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1sdl h LEU 105 CO -0.00 0.62 0.31 0.25 0.09 0.00 0.00 178.44 179.70 1sdl h LEU 106 N 0.71 0.80 -0.67 1.67 5.85 -1.04 -1.27 115.31 121.36 1sdl h LEU 106 Ca 0.18 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1sdl h LEU 106 Cb 0.11 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1sdl h LEU 106 CO -0.02 0.69 0.42 1.23 -0.34 0.00 0.00 178.44 180.42 1sdl h GLY 107 N 0.85 0.97 1.23 3.75 0.00 -1.11 0.36 103.07 109.12 1sdl h GLY 107 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1sdl h GLY 107 CO -0.03 0.26 -0.03 3.43 0.00 0.00 0.00 176.54 180.17 1sdl h ASN 108 N 0.81 0.90 -0.69 0.19 -0.26 -1.03 -1.20 115.58 114.30 1sdl h ASN 108 Ca 0.27 -0.25 -0.05 0.00 -0.56 0.00 0.00 56.30 55.71 1sdl h ASN 108 Cb 0.03 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.02 1sdl h ASN 108 CO -0.11 0.97 0.23 0.58 -1.06 0.00 0.00 177.43 178.04 1sdl h VAL 109 N 0.84 1.25 -0.81 2.81 2.07 -0.82 -1.60 116.25 120.00 1sdl h VAL 109 Ca 0.15 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1sdl h VAL 109 Cb 0.54 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1sdl h VAL 109 CO 0.03 0.34 0.49 0.25 0.02 0.00 0.00 177.57 178.70 1sdl h LEU 110 N 1.01 0.77 -0.92 2.57 5.85 -0.41 0.25 115.31 124.43 1sdl h LEU 110 Ca 0.23 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1sdl h LEU 110 Cb 0.28 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1sdl h LEU 110 CO -0.01 0.49 0.51 0.58 -0.34 0.00 0.00 178.44 179.67 1sdl h VAL 111 N 0.90 1.26 -0.49 1.05 2.07 -0.39 -0.96 116.25 119.69 1sdl h VAL 111 Ca 0.35 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1sdl h VAL 111 Cb 0.17 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1sdl h VAL 111 CO -0.17 0.29 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 1sdl h VAL 113 N 0.77 1.26 -0.97 0.00 2.07 -0.21 -0.86 116.25 118.30 1sdl h VAL 113 Ca 0.15 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1sdl h VAL 113 Cb 0.48 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1sdl h VAL 113 CO 0.02 0.36 0.63 -0.07 0.02 0.00 0.00 177.57 178.53 1sdl h LEU 114 N 0.65 1.13 -0.70 2.57 3.38 -0.97 -1.77 115.31 119.60 1sdl h LEU 114 Ca 0.13 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1sdl h LEU 114 Cb 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1sdl h LEU 114 CO 0.02 0.82 0.18 0.00 0.09 0.00 0.00 178.44 179.56 1sdl h ALA 115 N 1.35 0.92 -0.79 1.53 0.00 -1.13 -0.05 119.26 121.09 1sdl h ALA 115 Ca 0.35 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1sdl h ALA 115 Cb -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1sdl h ALA 115 CO -0.07 0.64 0.31 1.25 0.00 0.00 0.00 179.25 181.38 1sdl h HIS 116 N 1.05 1.19 0.15 0.00 6.17 -0.70 -1.13 115.15 121.88 1sdl h HIS 116 Ca 0.22 -0.09 -0.31 0.00 0.71 0.00 0.00 60.37 60.91 1sdl h HIS 116 Cb 0.36 -0.36 0.03 0.00 2.52 0.00 0.00 27.41 29.96 1sdl h HIS 116 CO 0.03 0.90 -1.29 0.45 0.71 0.00 0.00 177.93 178.73 1sdl h HIS 117 N 1.14 0.99 -0.02 5.26 -0.00 -1.10 -3.37 115.15 118.06 1sdl h HIS 117 Ca 0.26 -0.64 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1sdl h HIS 117 Cb 0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1sdl h HIS 117 CO 0.02 1.48 -0.37 1.19 -0.00 0.00 0.00 177.93 180.26 1sdl n PHE 118 N -3.77 0.00 -0.60 2.45 3.72 -0.05 -5.04 117.46 114.17 1sdl n PHE 118 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1sdl n PHE 118 Cb 1.01 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 1sdl n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sdl n GLY 119 N 1.40 2.06 0.50 1.37 0.00 -0.43 -1.29 105.19 108.80 1sdl n GLY 119 Ca 0.11 -0.18 0.30 0.00 0.00 0.00 0.00 46.02 46.25 1sdl n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdl h LYS 120 N 0.00 0.00 0.00 1.61 6.56 -1.97 0.48 116.57 123.25 1sdl h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1sdl h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1sdl h LYS 120 CO 0.00 0.00 -0.17 0.93 -2.06 0.00 0.00 179.45 178.15 1sdl h GLU 121 N 0.00 0.00 -3.40 3.15 5.08 -1.59 -3.26 114.58 114.55 1sdl h GLU 121 Ca 0.46 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 58.08 1sdl h GLU 121 Cb 2.23 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.37 1sdl h GLU 121 CO -0.00 0.17 2.42 0.34 -1.00 0.00 0.00 179.01 180.93 1sdl n PHE 122 N -3.59 2.94 -1.02 4.33 7.35 0.17 -4.95 117.46 122.69 1sdl n PHE 122 Ca -0.01 -2.85 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 1sdl n PHE 122 Cb 0.30 -2.08 0.19 0.00 0.35 0.00 0.00 39.48 38.25 1sdl n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1sdl s THR 123 N 0.75 2.12 0.21 -2.13 -4.23 -1.23 -4.68 115.64 106.45 1sdl s THR 123 Ca 0.45 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1sdl s THR 123 Cb 0.13 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.68 1sdl s THR 123 CO -0.03 -0.05 1.77 -0.65 -0.54 0.00 0.00 174.62 175.12 1sdl h PRO 124 N -2.03 0.52 -0.00 3.99 0.11 -1.93 0.14 132.00 132.79 1sdl h PRO 124 Ca -0.55 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.41 1sdl h PRO 124 Cb 1.32 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1sdl h PRO 124 CO 0.55 0.34 -0.53 -1.35 -0.21 0.00 0.00 178.00 176.80 1sdl h PRO 125 N 0.53 0.00 -0.28 1.05 0.11 -1.99 -1.66 132.00 129.77 1sdl h PRO 125 Ca 0.30 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 1sdl h PRO 125 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1sdl h PRO 125 CO -0.24 0.54 -0.16 0.28 -0.21 0.00 0.00 178.00 178.20 1sdl h VAL 126 N 0.00 1.30 -0.97 3.15 2.07 -1.67 -2.44 116.25 117.69 1sdl h VAL 126 Ca -0.01 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1sdl h VAL 126 Cb 0.95 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1sdl h VAL 126 CO 0.07 0.40 0.64 -0.61 0.02 0.00 0.00 177.57 178.09 1sdl h GLN 127 N 0.33 1.21 -0.76 1.57 4.15 -0.59 -1.42 115.11 119.61 1sdl h GLN 127 Ca 0.06 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1sdl h GLN 127 Cb 0.69 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 1sdl h GLN 127 CO 0.05 0.80 0.42 0.00 -1.93 0.00 0.00 178.83 178.17 1sdl h ALA 128 N 1.39 1.32 -0.41 3.38 0.00 -1.05 0.14 119.26 124.01 1sdl h ALA 128 Ca 0.38 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1sdl h ALA 128 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1sdl h ALA 128 CO -0.11 0.56 -0.30 0.00 0.00 0.00 0.00 179.25 179.40 1sdl h ALA 129 N 1.41 0.69 -0.10 0.00 0.00 -0.87 -2.44 119.26 117.94 1sdl h ALA 129 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1sdl h ALA 129 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sdl h ALA 129 CO -0.04 0.67 -0.17 1.88 0.00 0.00 0.00 179.25 181.58 1sdl h TYR 130 N 0.76 0.17 -0.55 0.00 0.05 -0.38 -0.97 116.97 116.06 1sdl h TYR 130 Ca 0.08 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1sdl h TYR 130 Cb 0.87 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 1sdl h TYR 130 CO 0.05 0.34 0.05 1.96 -1.05 0.00 0.00 178.16 179.51 1sdl h GLN 131 N 0.16 0.91 -0.62 4.88 1.08 -0.47 -0.62 115.11 120.43 1sdl h GLN 131 Ca 0.03 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 56.89 1sdl h GLN 131 Cb 0.41 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1sdl h GLN 131 CO 0.03 0.88 0.01 0.87 -0.95 0.00 0.00 178.83 179.66 1sdl h LYS 132 N 0.85 1.08 0.46 1.46 1.57 -0.75 -1.91 116.57 119.33 1sdl h LYS 132 Ca 0.17 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1sdl h LYS 132 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1sdl h LYS 132 CO 0.02 1.05 -0.22 0.28 -0.57 0.00 0.00 179.45 180.01 1sdl h VAL 133 N 0.99 0.52 -0.48 0.50 2.07 -0.91 -1.83 116.25 117.11 1sdl h VAL 133 Ca 0.18 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1sdl h VAL 133 Cb 0.56 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1sdl h VAL 133 CO 0.03 0.05 0.32 -0.37 0.02 0.00 0.00 177.57 177.61 1sdl h VAL 134 N -0.78 1.03 -0.18 2.57 -1.51 -1.09 -0.03 116.25 116.27 1sdl h VAL 134 Ca -0.06 -0.18 -0.13 0.00 -1.23 0.00 0.00 66.70 65.10 1sdl h VAL 134 Cb 0.55 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1sdl h VAL 134 CO 0.10 0.09 -0.43 0.00 -1.23 0.00 0.00 177.57 176.11 1sdl h ALA 135 N 1.73 0.92 -0.49 5.19 0.00 -1.29 -1.82 119.26 123.50 1sdl h ALA 135 Ca 0.20 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1sdl h ALA 135 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sdl h ALA 135 CO -0.05 0.64 -0.16 0.78 0.00 0.00 0.00 179.25 180.45 1sdl h GLY 136 N 1.14 1.03 0.95 0.00 0.00 -0.17 -1.75 103.07 104.26 1sdl h GLY 136 Ca 0.03 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.44 1sdl h GLY 136 CO 0.08 0.78 0.00 -2.08 0.00 0.00 0.00 176.54 175.32 1sdl h VAL 137 N 0.83 1.26 -0.83 4.60 2.07 -1.06 -1.08 116.25 122.04 1sdl h VAL 137 Ca 0.12 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1sdl h VAL 137 Cb 0.72 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1sdl h VAL 137 CO 0.05 0.34 0.48 0.00 0.02 0.00 0.00 177.57 178.47 1sdl h ALA 138 N 0.89 1.07 -0.29 1.67 0.00 -1.22 0.14 119.26 121.51 1sdl h ALA 138 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sdl h ALA 138 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sdl h ALA 138 CO 0.02 0.55 0.01 -0.91 0.00 0.00 0.00 179.25 178.92 1sdl h ASN 139 N 1.15 0.50 -0.78 0.00 2.35 -1.17 -1.95 115.58 115.69 1sdl h ASN 139 Ca 0.30 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1sdl h ASN 139 Cb -0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 1sdl h ASN 139 CO -0.05 0.68 0.38 0.00 -1.65 0.00 0.00 177.43 176.79 1sdl h ALA 140 N 0.84 1.19 0.00 -0.83 0.00 -0.75 -1.56 119.26 118.15 1sdl h ALA 140 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1sdl h ALA 140 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sdl h ALA 140 CO 0.01 0.62 -0.24 -0.07 0.00 0.00 0.00 179.25 179.58 1sdl h LEU 141 N 1.12 0.00 -0.48 0.00 3.38 -0.54 -2.80 115.31 115.98 1sdl h LEU 141 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1sdl h LEU 141 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sdl h LEU 141 CO -0.04 0.24 -0.01 0.00 0.09 0.00 0.00 178.44 178.73 1sdl n ALA 142 N -2.31 2.64 -0.23 1.53 0.00 -0.61 -4.40 120.51 117.13 1sdl n ALA 142 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1sdl n ALA 142 Cb 0.36 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.59 1sdl n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sdl h HIS 143 N 1.18 0.58 -0.14 0.00 -0.00 -1.23 -2.33 115.15 113.20 1sdl h HIS 143 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1sdl h HIS 143 Cb 0.26 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1sdl h HIS 143 CO 0.00 0.21 0.00 1.63 -0.00 0.00 0.00 177.93 179.77 1sdl n LYS 144 N -4.88 1.35 -0.05 5.26 5.02 -1.26 -3.66 118.16 119.93 1sdl n LYS 144 Ca 0.10 -0.51 0.12 0.00 -2.02 0.00 0.00 58.31 55.99 1sdl n LYS 144 Cb 0.25 -1.14 0.42 0.00 -0.02 0.00 0.00 35.03 34.54 1sdl n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sdl n TYR 145 N -0.08 0.13 -1.67 2.13 4.02 -0.88 -4.96 117.16 115.86 1sdl n TYR 145 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1sdl n TYR 145 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1sdl n TYR 145 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57