#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qij s HIS 2 N 0.00 3.11 -0.18 2.97 3.76 -1.26 -5.05 115.29 118.64 2qij s HIS 2 Ca 0.00 0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2qij s HIS 2 Cb 0.00 -3.19 0.01 0.00 1.11 0.00 0.00 32.58 30.51 2qij s HIS 2 CO 0.00 -0.74 -0.16 0.42 -0.85 0.00 0.00 174.74 173.41 2qij s ILE 3 N 2.67 2.46 -0.37 0.60 1.01 -1.26 -5.09 121.20 121.22 2qij s ILE 3 Ca 0.21 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 2qij s ILE 3 Cb -0.15 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2qij s ILE 3 CO 0.17 0.51 0.27 -0.62 0.00 0.00 0.00 174.94 175.26 2qij s ASP 4 N 1.23 6.07 0.64 3.58 -1.08 -1.26 -4.91 116.67 120.94 2qij s ASP 4 Ca 0.03 -0.65 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 2qij s ASP 4 Cb -0.14 -2.14 1.29 0.00 -1.46 0.00 0.00 42.92 40.47 2qij s ASP 4 CO -0.08 -0.33 1.73 1.55 0.52 0.00 0.00 175.17 178.56 2qij h PRO 5 N 8.55 0.00 0.00 4.34 0.13 -1.98 -1.00 132.00 142.04 2qij h PRO 5 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qij h PRO 5 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2qij h PRO 5 CO 0.68 0.00 -1.65 0.66 -0.23 0.00 0.00 178.00 177.46 2qij n TYR 6 N -3.12 0.22 -0.04 1.56 4.01 -1.26 -4.70 117.16 113.83 2qij n TYR 6 Ca 0.04 0.07 -0.05 0.00 -0.16 0.00 0.00 57.90 57.79 2qij n TYR 6 Cb 0.65 -0.56 -0.04 0.00 -0.31 0.00 0.00 39.34 39.09 2qij n TYR 6 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2qij h LYS 7 N 0.00 -0.16 0.00 -0.72 3.64 -0.76 -0.77 116.57 117.80 2qij h LYS 7 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qij h LYS 7 Cb 0.95 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2qij h LYS 7 CO 0.00 -0.11 0.46 1.05 -2.27 0.00 0.00 179.45 178.58 2qij h GLU 8 N -0.17 0.00 -0.87 1.90 4.11 -1.84 0.33 114.58 118.04 2qij h GLU 8 Ca 0.02 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.96 2qij h GLU 8 Cb 0.24 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.21 2qij h GLU 8 CO -0.22 0.00 0.51 1.19 0.07 0.00 0.00 179.01 180.56 2qij n PHE 9 N -2.73 2.75 -3.05 2.06 3.01 -0.34 -4.92 117.46 114.24 2qij n PHE 9 Ca -0.02 -2.10 -0.21 0.00 1.01 0.00 0.00 57.45 56.14 2qij n PHE 9 Cb 0.50 -0.96 0.01 0.00 -0.01 0.00 0.00 39.48 39.01 2qij n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qij n GLY 10 N -1.07 -0.50 3.15 1.37 0.00 0.12 -4.93 105.19 103.32 2qij n GLY 10 Ca 0.55 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.51 2qij n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qij n ALA 11 N -3.24 -0.20 -2.86 4.61 0.00 -0.92 -5.00 120.51 112.90 2qij n ALA 11 Ca -0.08 -1.56 -0.10 0.00 0.00 0.00 0.00 53.44 51.70 2qij n ALA 11 Cb 0.59 1.26 -0.06 0.00 0.00 0.00 0.00 19.45 21.24 2qij n ALA 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qij s THR 12 N -2.85 0.10 0.22 0.00 -4.23 -1.26 -2.32 115.64 105.29 2qij s THR 12 Ca 0.29 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 2qij s THR 12 Cb -0.01 -1.19 0.17 0.00 1.34 0.00 0.00 72.50 72.82 2qij s THR 12 CO 0.20 -0.43 1.87 1.62 -0.54 0.00 0.00 174.62 177.34 2qij h VAL 13 N 2.62 1.13 -0.07 2.29 3.04 -1.94 0.54 116.25 123.87 2qij h VAL 13 Ca -0.34 -0.33 0.02 0.00 -1.01 0.00 0.00 66.70 65.04 2qij h VAL 13 Cb 1.23 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2qij h VAL 13 CO 0.50 0.18 0.06 -0.08 -1.01 0.00 0.00 177.57 177.22 2qij h GLU 14 N 0.98 0.00 0.01 4.17 4.81 -2.00 -0.28 114.58 122.28 2qij h GLU 14 Ca 0.30 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2qij h GLU 14 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2qij h GLU 14 CO -0.10 0.00 -0.18 1.25 -0.73 0.00 0.00 179.01 179.25 2qij h LEU 15 N 0.00 0.14 -2.07 1.64 6.46 -0.41 -2.67 115.31 118.40 2qij h LEU 15 Ca 0.03 -0.86 0.08 0.00 -0.12 0.00 0.00 57.88 57.01 2qij h LEU 15 Cb 0.15 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 2qij h LEU 15 CO -0.00 0.98 0.35 -0.07 -0.62 0.00 0.00 178.44 179.08 2qij h LEU 16 N -0.69 0.00 -0.03 2.25 3.38 -0.31 0.20 115.31 120.10 2qij h LEU 16 Ca -0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qij h LEU 16 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2qij h LEU 16 CO 0.04 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.32 2qij h SER 17 N 0.00 -0.05 -1.03 -0.43 4.64 -0.71 -3.12 113.55 112.84 2qij h SER 17 Ca 0.13 0.01 0.31 0.00 -0.47 0.00 0.00 61.79 61.77 2qij h SER 17 Cb 0.83 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 2qij h SER 17 CO -0.00 -0.02 0.74 0.33 -0.87 0.00 0.00 176.83 177.00 2qij n PHE 18 N -5.12 0.07 -3.30 4.77 7.35 0.72 -4.26 117.46 117.68 2qij n PHE 18 Ca -0.06 0.07 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 2qij n PHE 18 Cb 0.06 -0.36 -0.06 0.00 0.35 0.00 0.00 39.48 39.47 2qij n PHE 18 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2qij s LEU 19 N -6.35 4.46 0.23 -2.13 1.43 -1.18 -4.67 118.68 110.47 2qij s LEU 19 Ca -0.03 1.13 -0.32 0.00 -1.03 0.00 0.00 54.13 53.89 2qij s LEU 19 Cb 0.15 -2.82 -0.13 0.00 0.03 0.00 0.00 46.19 43.42 2qij s LEU 19 CO 0.48 0.21 1.49 -0.81 0.23 0.00 0.00 176.35 177.96 2qij n PRO 20 N 2.20 2.21 -0.22 1.29 -0.04 -1.26 -4.86 135.00 134.32 2qij n PRO 20 Ca -0.10 0.79 0.01 0.00 -0.04 0.00 0.00 63.50 64.16 2qij n PRO 20 Cb 0.51 -2.50 0.09 0.00 -0.04 0.00 0.00 33.50 31.56 2qij n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2qij h SER 21 N 4.81 -0.50 0.03 3.54 0.02 -1.94 0.24 113.55 119.75 2qij h SER 21 Ca -0.45 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2qij h SER 21 Cb 1.26 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2qij h SER 21 CO 0.80 -0.19 0.00 -0.90 -1.14 0.00 0.00 176.83 175.40 2qij n ASP 22 N -5.40 0.00 0.08 3.07 5.68 -1.26 -2.42 116.55 116.30 2qij n ASP 22 Ca 0.09 0.38 0.13 0.00 -0.50 0.00 0.00 54.79 54.89 2qij n ASP 22 Cb 0.37 -0.39 0.31 0.00 -1.14 0.00 0.00 41.12 40.27 2qij n ASP 22 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2qij n PHE 23 N -1.39 0.72 -2.81 2.11 -0.00 0.85 -4.84 117.46 112.10 2qij n PHE 23 Ca 0.00 0.21 -0.36 0.00 -0.00 0.00 0.00 57.45 57.30 2qij n PHE 23 Cb 0.01 -0.79 -0.07 0.00 -0.00 0.00 0.00 39.48 38.64 2qij n PHE 23 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 2qij s PHE 24 N -3.12 3.61 0.87 -5.13 0.40 -1.02 -5.04 117.98 108.55 2qij s PHE 24 Ca 0.09 1.73 -0.13 0.00 -0.60 0.00 0.00 56.93 58.01 2qij s PHE 24 Cb 0.13 -2.89 0.12 0.00 0.51 0.00 0.00 43.02 40.89 2qij s PHE 24 CO 0.65 0.15 1.21 -1.25 0.70 0.00 0.00 175.22 176.68 2qij s PRO 25 N -2.28 1.44 0.41 0.24 0.04 -1.26 -5.00 135.00 128.59 2qij s PRO 25 Ca 0.52 -0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.30 2qij s PRO 25 Cb -0.16 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 2qij s PRO 25 CO 0.21 -1.93 1.11 0.45 0.04 0.00 0.00 177.00 176.88 2qij n SER 26 N -3.52 1.75 -0.11 6.66 2.88 -1.26 -4.72 113.62 115.29 2qij n SER 26 Ca 0.10 1.08 -0.06 0.00 -1.33 0.00 0.00 58.87 58.66 2qij n SER 26 Cb 0.60 -1.40 0.01 0.00 -0.75 0.00 0.00 64.21 62.67 2qij n SER 26 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2qij h VAL 27 N 1.79 0.47 0.00 2.46 2.07 -1.94 0.26 116.25 121.35 2qij h VAL 27 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2qij h VAL 27 Cb 1.32 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2qij h VAL 27 CO 0.58 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 177.03 2qij n ARG 28 N -5.36 0.00 0.00 1.57 3.00 -1.26 0.98 116.66 115.59 2qij n ARG 28 Ca 0.02 0.51 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 2qij n ARG 28 Cb 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.62 2qij n ARG 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qij n ASP 29 N -1.31 0.00 -0.29 6.15 8.00 -0.47 0.15 116.55 128.78 2qij n ASP 29 Ca 0.00 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.77 2qij n ASP 29 Cb 0.00 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 2qij n ASP 29 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qij h LEU 30 N 0.00 -1.67 0.04 0.64 -0.00 0.11 0.47 115.31 114.89 2qij h LEU 30 Ca 0.00 0.28 0.02 0.00 -0.00 0.00 0.00 57.88 58.18 2qij h LEU 30 Cb 0.00 0.77 -0.05 0.00 -0.00 0.00 0.00 40.66 41.38 2qij h LEU 30 CO 0.00 -0.30 -0.53 -0.07 -0.00 0.00 0.00 178.44 177.53 2qij h LEU 31 N -0.13 -1.64 -0.89 1.67 -0.00 0.84 0.18 115.31 115.35 2qij h LEU 31 Ca 0.21 0.18 0.22 0.00 -0.00 0.00 0.00 57.88 58.48 2qij h LEU 31 Cb 0.54 0.62 -0.12 0.00 -0.00 0.00 0.00 40.66 41.69 2qij h LEU 31 CO -0.81 -0.53 0.38 0.44 -0.00 0.00 0.00 178.44 177.92 2qij h ASP 32 N -0.70 0.31 -0.17 -0.43 3.32 0.18 0.27 116.42 119.20 2qij h ASP 32 Ca 0.01 0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 2qij h ASP 32 Cb 0.73 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2qij h ASP 32 CO -0.33 -0.00 -0.31 0.74 -1.72 0.00 0.00 179.24 177.61 2qij h THR 33 N 0.40 1.28 -0.09 0.35 2.02 0.17 0.64 112.91 117.68 2qij h THR 33 Ca 0.55 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2qij h THR 33 Cb 1.04 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 2qij h THR 33 CO -0.53 0.47 0.05 0.00 0.37 0.00 0.00 175.52 175.88 2qij h ALA 34 N 1.09 0.11 -0.63 6.16 0.00 0.13 0.22 119.26 126.33 2qij h ALA 34 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qij h ALA 34 Cb 0.81 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2qij h ALA 34 CO 0.07 -0.36 0.42 0.00 0.00 0.00 0.00 179.25 179.38 2qij h ALA 35 N 0.96 1.56 -0.34 0.00 0.00 -0.80 0.48 119.26 121.13 2qij h ALA 35 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qij h ALA 35 Cb 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2qij h ALA 35 CO -0.01 0.40 0.04 0.00 0.00 0.00 0.00 179.25 179.69 2qij h ALA 36 N 1.61 0.35 0.00 0.00 0.00 0.15 -3.09 119.26 118.28 2qij h ALA 36 Ca 0.23 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2qij h ALA 36 Cb -0.09 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 2qij h ALA 36 CO -0.05 -0.36 -0.52 1.28 0.00 0.00 0.00 179.25 179.60 2qij n LEU 37 N -5.12 1.96 0.00 0.00 4.77 -0.06 -4.82 117.00 113.74 2qij n LEU 37 Ca 0.01 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.99 2qij n LEU 37 Cb 0.16 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2qij n LEU 37 CO 0.24 0.94 0.00 -1.22 -1.33 0.00 0.00 177.39 176.01 2qij n TYR 38 N -0.70 0.00 0.00 -1.77 4.01 0.17 -4.98 117.16 113.90 2qij n TYR 38 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2qij n TYR 38 Cb 0.79 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 2qij n TYR 38 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2qij n ARG 39 N 0.00 0.00 0.00 -0.72 0.63 -1.07 0.37 116.66 115.87 2qij n ARG 39 Ca 0.00 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 2qij n ARG 39 Cb 0.04 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.06 2qij n ARG 39 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qij n ASP 40 N -1.84 0.00 0.15 6.15 8.00 -1.26 0.87 116.55 128.63 2qij n ASP 40 Ca 0.00 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 2qij n ASP 40 Cb 0.00 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 2qij n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qij h ALA 41 N -0.22 -0.65 -0.62 2.24 0.00 -1.41 0.47 119.26 119.07 2qij h ALA 41 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2qij h ALA 41 Cb 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 2qij h ALA 41 CO 0.00 -0.92 0.04 -0.07 0.00 0.00 0.00 179.25 178.30 2qij h LEU 42 N -0.63 -0.20 -0.97 0.00 3.38 0.36 0.33 115.31 117.58 2qij h LEU 42 Ca 0.01 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2qij h LEU 42 Cb 0.62 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2qij h LEU 42 CO -0.15 -0.09 0.03 -0.33 0.09 0.00 0.00 178.44 177.99 2qij h GLU 43 N 0.15 0.78 -4.80 1.13 5.08 0.12 -3.46 114.58 113.57 2qij h GLU 43 Ca 0.33 -0.19 -0.46 0.00 -1.00 0.00 0.00 59.36 58.04 2qij h GLU 43 Cb 0.53 -0.10 0.17 0.00 0.50 0.00 0.00 28.75 29.85 2qij h GLU 43 CO -0.50 0.76 -1.26 0.45 -1.00 0.00 0.00 179.01 177.46 2qij n SER 44 N -4.23 -4.06 -0.30 1.42 2.88 0.16 -4.90 113.62 104.59 2qij n SER 44 Ca 0.03 0.30 0.14 0.00 -1.33 0.00 0.00 58.87 58.01 2qij n SER 44 Cb 0.28 -0.64 0.56 0.00 -0.75 0.00 0.00 64.21 63.66 2qij n SER 44 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2qij n PRO 45 N 1.67 1.22 -4.84 -1.46 -0.04 -1.26 -4.75 135.00 125.54 2qij n PRO 45 Ca 0.02 -0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 62.57 2qij n PRO 45 Cb 0.42 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.22 2qij n PRO 45 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qij s GLU 46 N -2.20 2.63 0.15 0.54 8.01 -1.26 -5.06 118.70 121.52 2qij s GLU 46 Ca 0.35 -0.73 -0.34 0.00 0.01 0.00 0.00 54.97 54.26 2qij s GLU 46 Cb 0.21 -2.08 -0.15 0.00 -4.31 0.00 0.00 34.13 27.79 2qij s GLU 46 CO 0.41 0.07 1.37 -2.39 0.01 0.00 0.00 175.26 174.72 2qij n HIS 47 N 3.82 1.78 1.02 1.61 -0.00 -1.26 -4.78 115.22 117.40 2qij n HIS 47 Ca -0.20 0.51 0.11 0.00 -0.00 0.00 0.00 57.72 58.14 2qij n HIS 47 Cb 0.52 -2.40 -0.00 0.00 -0.00 0.00 0.00 29.99 28.11 2qij n HIS 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qij n SER 49 N -1.05 0.00 -0.35 0.00 3.41 -1.26 -4.88 113.62 109.49 2qij n SER 49 Ca 0.06 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.84 2qij n SER 49 Cb 0.37 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.69 2qij n SER 49 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qij h PRO 50 N 0.00 0.60 0.68 4.33 0.13 -1.98 0.61 132.00 136.37 2qij h PRO 50 Ca 0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2qij h PRO 50 Cb 0.00 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.00 2qij h PRO 50 CO 0.00 0.40 -0.33 0.45 -0.23 0.00 0.00 178.00 178.29 2qij h HIS 51 N 0.62 -0.85 -0.44 1.56 3.86 -1.98 0.19 115.15 118.11 2qij h HIS 51 Ca 0.63 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.86 2qij h HIS 51 Cb 1.16 0.28 -0.06 0.00 1.06 0.00 0.00 27.41 29.85 2qij h HIS 51 CO -0.01 -0.53 -0.36 0.45 0.86 0.00 0.00 177.93 178.35 2qij h HIS 52 N -0.93 -1.12 -0.68 2.45 3.86 -0.38 0.25 115.15 118.60 2qij h HIS 52 Ca -0.09 0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2qij h HIS 52 Cb 0.70 0.55 -0.09 0.00 1.06 0.00 0.00 27.41 29.63 2qij h HIS 52 CO 0.07 -0.27 -0.50 1.15 0.86 0.00 0.00 177.93 179.24 2qij h THR 53 N -0.13 0.00 -0.01 2.45 2.02 -0.11 0.41 112.91 117.55 2qij h THR 53 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.28 2qij h THR 53 Cb 0.31 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 2qij h THR 53 CO -0.48 0.00 -0.52 0.00 0.37 0.00 0.00 175.52 174.90 2qij h ALA 54 N 0.11 -0.89 -0.78 6.16 0.00 0.53 -1.41 119.26 122.98 2qij h ALA 54 Ca 0.11 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.12 2qij h ALA 54 Cb 0.42 0.92 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 2qij h ALA 54 CO -0.70 -1.08 -0.04 1.25 0.00 0.00 0.00 179.25 178.67 2qij h LEU 55 N -0.65 -0.44 0.00 0.00 6.46 0.90 0.52 115.31 122.09 2qij h LEU 55 Ca 0.02 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2qij h LEU 55 Cb 0.71 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 2qij h LEU 55 CO -0.36 -0.21 0.00 0.54 -0.62 0.00 0.00 178.44 177.79 2qij n ARG 56 N -5.39 0.00 -0.26 1.25 1.74 0.13 -0.64 116.66 113.49 2qij n ARG 56 Ca 0.14 0.68 0.02 0.00 -0.77 0.00 0.00 57.85 57.91 2qij n ARG 56 Cb 0.48 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.51 2qij n ARG 56 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qij h GLN 57 N 0.00 0.00 -0.51 5.56 1.08 -0.26 0.68 115.11 121.66 2qij h GLN 57 Ca 0.00 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2qij h GLN 57 Cb 0.00 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.36 2qij h GLN 57 CO 0.00 0.00 0.14 0.00 -0.95 0.00 0.00 178.83 178.02 2qij h ALA 58 N 1.75 0.61 -0.54 3.87 0.00 0.50 0.23 119.26 125.67 2qij h ALA 58 Ca 0.36 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.46 2qij h ALA 58 Cb 0.56 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2qij h ALA 58 CO -0.77 -0.27 0.13 0.82 0.00 0.00 0.00 179.25 179.16 2qij h ILE 59 N 0.29 0.72 -0.38 0.00 2.04 0.14 -1.42 117.51 118.90 2qij h ILE 59 Ca 0.26 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 2qij h ILE 59 Cb 0.32 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2qij h ILE 59 CO -0.30 0.05 -0.02 -0.07 0.00 0.00 0.00 178.15 177.81 2qij h LEU 60 N 0.27 0.57 -0.01 1.44 3.38 0.42 -2.02 115.31 119.37 2qij h LEU 60 Ca 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qij h LEU 60 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qij h LEU 60 CO -0.34 0.66 0.00 0.00 0.09 0.00 0.00 178.44 178.85 2qij h TRP 62 N -0.26 0.49 0.09 0.00 2.91 -1.15 -0.76 115.95 117.27 2qij h TRP 62 Ca 0.00 0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.09 2qij h TRP 62 Cb 0.27 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 2qij h TRP 62 CO 0.02 -0.06 -0.36 0.78 -1.03 0.00 0.00 178.44 177.78 2qij h GLY 63 N 0.35 -0.69 0.08 2.65 0.00 -0.73 -1.02 103.07 103.71 2qij h GLY 63 Ca 0.50 0.44 0.28 0.00 0.00 0.00 0.00 47.33 48.54 2qij h GLY 63 CO -0.52 -0.26 0.69 -0.55 0.00 0.00 0.00 176.54 175.90 2qij h ASP 64 N -0.58 0.02 -0.00 0.19 3.32 -0.59 0.18 116.42 118.97 2qij h ASP 64 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2qij h ASP 64 Cb 0.62 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2qij h ASP 64 CO -0.23 0.01 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.22 2qij h LEU 65 N 0.02 0.01 -2.11 1.55 3.38 -0.81 0.18 115.31 117.53 2qij h LEU 65 Ca 0.46 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2qij h LEU 65 Cb 1.81 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2qij h LEU 65 CO -0.02 0.63 0.25 0.24 0.09 0.00 0.00 178.44 179.63 2qij h MET 66 N -0.61 0.00 0.09 1.13 2.86 0.25 0.70 114.93 119.36 2qij h MET 66 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qij h MET 66 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2qij h MET 66 CO 0.00 0.00 -0.04 1.15 1.06 0.00 0.00 176.91 179.08 2qij h THR 67 N 0.00 0.00 -0.84 2.22 2.02 -0.67 -1.97 112.91 113.66 2qij h THR 67 Ca 0.13 -0.47 0.31 0.00 0.77 0.00 0.00 66.41 67.15 2qij h THR 67 Cb 0.63 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.88 2qij h THR 67 CO -0.00 0.00 0.30 -0.11 0.37 0.00 0.00 175.52 176.08 2qij n LEU 68 N -3.62 0.16 0.18 2.58 7.94 0.61 0.16 117.00 125.01 2qij n LEU 68 Ca -0.01 1.41 -0.14 0.00 -1.11 0.00 0.00 56.01 56.15 2qij n LEU 68 Cb 0.05 -0.63 -0.08 0.00 0.53 0.00 0.00 43.42 43.29 2qij n LEU 68 CO 0.03 -1.53 0.52 0.00 -1.11 0.00 0.00 177.39 175.31 2qij h ALA 69 N 1.69 -1.02 -0.33 1.96 0.00 0.37 -2.24 119.26 119.68 2qij h ALA 69 Ca 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2qij h ALA 69 Cb 1.60 0.73 0.00 0.00 0.00 0.00 0.00 17.79 20.12 2qij h ALA 69 CO -0.70 -1.08 0.00 2.41 0.00 0.00 0.00 179.25 179.88 2qij n THR 70 N -4.95 0.00 -0.57 0.00 -1.04 0.42 -1.69 114.28 106.45 2qij n THR 70 Ca -0.09 1.44 0.45 0.00 -2.04 0.00 0.00 64.05 63.82 2qij n THR 70 Cb 0.36 -2.22 0.69 0.00 -1.82 0.00 0.00 70.33 67.34 2qij n THR 70 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2qij n TRP 71 N -2.25 0.00 0.18 -1.42 -0.00 -0.78 0.03 117.44 113.21 2qij n TRP 71 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 2qij n TRP 71 Cb 0.00 -0.42 -0.04 0.00 -0.00 0.00 0.00 31.31 30.86 2qij n TRP 71 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2qij h VAL 72 N 0.00 0.00 0.00 5.87 2.07 -0.68 -1.72 116.25 121.79 2qij h VAL 72 Ca 0.79 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 68.04 2qij h VAL 72 Cb 3.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2qij h VAL 72 CO -0.01 0.00 0.06 0.61 0.02 0.00 0.00 177.57 178.26 2qij n GLY 73 N -0.03 -0.49 0.88 2.17 0.00 0.10 -0.00 105.19 107.82 2qij n GLY 73 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2qij n GLY 73 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qij n THR 74 N -1.56 1.47 -1.45 2.61 5.66 -0.25 -4.41 114.28 116.35 2qij n THR 74 Ca -0.00 -1.26 0.00 0.00 -3.05 0.00 0.00 64.05 59.73 2qij n THR 74 Cb 0.07 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 2qij n THR 74 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2qij n ASN 75 N 0.38 0.00 -4.52 1.09 3.02 0.02 -4.96 115.26 110.29 2qij n ASN 75 Ca 0.17 -0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 53.62 2qij n ASN 75 Cb 0.63 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.68 2qij n ASN 75 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qij s LEU 76 N 0.00 3.00 -0.05 3.41 1.43 1.00 -5.03 118.68 122.43 2qij s LEU 76 Ca 0.00 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 2qij s LEU 76 Cb 0.00 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2qij s LEU 76 CO 0.00 0.32 -0.09 -0.62 0.23 0.00 0.00 176.35 176.19 2qij n GLU 77 N 2.47 0.16 -1.42 1.70 -0.58 -1.26 -4.81 120.64 116.90 2qij n GLU 77 Ca -0.18 0.18 -0.49 0.00 -0.42 0.00 0.00 57.16 56.26 2qij n GLU 77 Cb 0.53 -0.91 -0.10 0.00 -0.57 0.00 0.00 31.44 30.39 2qij n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2qij n ASP 78 N -3.09 1.40 -0.03 1.62 2.03 -1.26 -4.73 116.55 112.49 2qij n ASP 78 Ca -0.04 0.32 -0.10 0.00 0.52 0.00 0.00 54.79 55.48 2qij n ASP 78 Cb 0.13 -1.14 0.04 0.00 -0.72 0.00 0.00 41.12 39.43 2qij n ASP 78 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2qij h PRO 79 N 12.34 0.68 -0.34 -0.67 0.13 -1.96 1.04 132.00 143.22 2qij h PRO 79 Ca -0.18 -0.40 0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2qij h PRO 79 Cb 1.34 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.43 2qij h PRO 79 CO 1.14 1.01 -0.13 0.00 -0.23 0.00 0.00 178.00 179.79 2qij h ALA 80 N 0.92 0.15 -0.07 -0.56 0.00 -1.98 2.43 119.26 120.15 2qij h ALA 80 Ca 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2qij h ALA 80 Cb 1.04 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qij h ALA 80 CO 0.10 -0.51 -0.17 0.66 0.00 0.00 0.00 179.25 179.33 2qij h SER 81 N -0.07 0.28 -0.88 0.00 4.64 -1.91 0.17 113.55 115.79 2qij h SER 81 Ca 0.17 -0.58 0.13 0.00 -0.47 0.00 0.00 61.79 61.04 2qij h SER 81 Cb 0.33 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 2qij h SER 81 CO -0.39 0.81 0.57 -0.09 -0.87 0.00 0.00 176.83 176.86 2qij h ARG 82 N -0.23 0.72 0.15 4.77 1.12 0.19 -1.30 114.38 119.80 2qij h ARG 82 Ca -0.00 -0.04 -0.29 0.00 -1.11 0.00 0.00 59.98 58.53 2qij h ARG 82 Cb 0.77 -0.16 0.02 0.00 -0.01 0.00 0.00 29.97 30.59 2qij h ARG 82 CO 0.04 0.48 -1.28 -0.44 -3.11 0.00 0.00 179.97 175.65 2qij h ASP 83 N 0.74 0.68 -0.66 -3.80 3.32 0.43 -2.12 116.42 115.02 2qij h ASP 83 Ca 0.43 -0.68 0.08 0.00 0.02 0.00 0.00 57.03 56.88 2qij h ASP 83 Cb 0.61 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 39.83 2qij h ASP 83 CO -0.19 1.51 -0.49 -0.07 -1.72 0.00 0.00 179.24 178.28 2qij h LEU 84 N 0.17 -1.71 0.01 1.55 3.38 0.49 0.19 115.31 119.38 2qij h LEU 84 Ca -0.18 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qij h LEU 84 Cb 1.97 0.76 -0.00 0.00 0.09 0.00 0.00 40.66 43.48 2qij h LEU 84 CO 0.23 -0.33 -0.01 0.58 0.09 0.00 0.00 178.44 179.00 2qij h VAL 85 N -0.21 0.00 0.00 1.22 2.07 -1.47 -0.73 116.25 117.13 2qij h VAL 85 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2qij h VAL 85 Cb 0.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2qij h VAL 85 CO -0.74 0.00 0.68 0.58 0.02 0.00 0.00 177.57 178.11 2qij h VAL 86 N -0.02 0.00 0.00 2.57 2.07 -0.64 -0.66 116.25 119.58 2qij h VAL 86 Ca -0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 2qij h VAL 86 Cb 0.01 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2qij h VAL 86 CO -0.00 0.00 -1.77 -1.54 0.02 0.00 0.00 177.57 174.28 2qij n SER 87 N -1.96 1.76 -0.33 0.57 3.41 0.58 -3.49 113.62 114.16 2qij n SER 87 Ca -0.00 0.30 0.25 0.00 -0.26 0.00 0.00 58.87 59.16 2qij n SER 87 Cb 0.69 -0.70 0.48 0.00 -0.26 0.00 0.00 64.21 64.41 2qij n SER 87 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2qij h TYR 88 N -0.87 0.60 0.60 7.33 3.20 0.12 1.54 116.97 129.49 2qij h TYR 88 Ca -0.37 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.52 2qij h TYR 88 Cb 1.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2qij h TYR 88 CO -0.20 -0.40 -0.45 0.28 -1.64 0.00 0.00 178.16 175.76 2qij h VAL 89 N 0.07 0.00 0.00 1.81 2.07 -1.35 -1.92 116.25 116.93 2qij h VAL 89 Ca 0.75 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.27 2qij h VAL 89 Cb 1.82 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2qij h VAL 89 CO -0.77 0.00 0.00 0.59 0.02 0.00 0.00 177.57 177.41 2qij n ASN 90 N -5.24 0.00 0.00 0.57 5.03 0.46 -2.71 115.26 113.37 2qij n ASN 90 Ca -0.12 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.03 2qij n ASN 90 Cb 0.44 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 2qij n ASN 90 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2qij n THR 91 N -1.05 0.00 -0.18 3.41 -1.04 0.22 -4.44 114.28 111.19 2qij n THR 91 Ca 0.09 0.00 0.30 0.00 -2.04 0.00 0.00 64.05 62.39 2qij n THR 91 Cb 0.05 -0.04 0.72 0.00 -1.82 0.00 0.00 70.33 69.24 2qij n THR 91 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2qij h ASN 92 N 0.00 0.00 0.00 8.00 2.35 -1.69 -0.74 115.58 123.49 2qij h ASN 92 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2qij h ASN 92 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2qij h ASN 92 CO 0.00 0.00 -0.57 0.58 -1.65 0.00 0.00 177.43 175.79 2qij h VAL 93 N 0.00 0.60 -0.98 2.81 2.07 -1.59 -3.36 116.25 115.80 2qij h VAL 93 Ca 0.44 -1.61 0.22 0.00 0.82 0.00 0.00 66.70 66.57 2qij h VAL 93 Cb 1.90 1.29 -0.19 0.00 -1.52 0.00 0.00 31.29 32.77 2qij h VAL 93 CO -0.00 0.20 -0.16 1.23 0.02 0.00 0.00 177.57 178.86 2qij h GLY 94 N -1.00 0.88 -0.26 2.17 0.00 -1.06 0.65 103.07 104.45 2qij h GLY 94 Ca -0.11 0.27 0.19 0.00 0.00 0.00 0.00 47.33 47.68 2qij h GLY 94 CO -0.07 -0.42 0.19 -2.00 0.00 0.00 0.00 176.54 174.24 2qij h LEU 95 N 0.00 -0.02 0.67 3.11 5.85 -1.36 2.77 115.31 126.34 2qij h LEU 95 Ca 0.51 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.37 2qij h LEU 95 Cb 0.88 0.24 0.01 0.00 0.37 0.00 0.00 40.66 42.16 2qij h LEU 95 CO -0.98 -0.10 -0.32 0.11 -0.34 0.00 0.00 178.44 176.81 2qij h LYS 96 N 0.24 -0.87 -0.66 1.25 1.57 0.13 -1.13 116.57 117.11 2qij h LYS 96 Ca 0.47 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.50 2qij h LYS 96 Cb 0.88 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2qij h LYS 96 CO -0.59 -0.58 0.86 0.35 -0.57 0.00 0.00 179.45 178.92 2qij h PHE 97 N -1.10 0.00 0.29 -1.35 3.57 -0.35 0.31 116.94 118.32 2qij h PHE 97 Ca -0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2qij h PHE 97 Cb 0.69 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2qij h PHE 97 CO 0.02 0.00 -0.14 0.00 -2.23 0.00 0.00 178.31 175.97 2qij h ARG 98 N 0.00 -0.38 -0.38 1.11 3.08 0.53 -1.76 114.38 116.60 2qij h ARG 98 Ca 0.31 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2qij h ARG 98 Cb 2.03 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 32.14 2qij h ARG 98 CO -0.00 -0.11 0.19 1.96 -1.07 0.00 0.00 179.97 180.94 2qij h GLN 99 N -1.02 0.54 -0.44 0.04 4.20 0.71 -1.07 115.11 118.06 2qij h GLN 99 Ca -0.04 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.68 2qij h GLN 99 Cb 0.44 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 2qij h GLN 99 CO 0.07 0.47 0.00 1.25 -0.67 0.00 0.00 178.83 179.94 2qij h LEU 100 N 0.47 -0.18 -1.74 1.46 5.85 -0.73 0.44 115.31 120.88 2qij h LEU 100 Ca 0.13 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2qij h LEU 100 Cb 0.10 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2qij h LEU 100 CO -0.02 -0.05 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.79 2qij h LEU 101 N 0.11 0.00 0.14 2.25 3.38 -1.01 -2.50 115.31 117.68 2qij h LEU 101 Ca 0.22 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.93 2qij h LEU 101 Cb 0.31 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.09 2qij h LEU 101 CO -0.36 0.17 -1.11 -0.25 0.09 0.00 0.00 178.44 176.98 2qij h TRP 102 N 0.00 0.84 -0.62 1.13 7.01 0.54 -1.22 115.95 123.63 2qij h TRP 102 Ca -0.00 -0.56 -0.01 0.00 2.11 0.00 0.00 58.89 60.43 2qij h TRP 102 Cb 0.33 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 2qij h TRP 102 CO 0.00 1.41 0.37 0.35 -2.79 0.00 0.00 178.44 177.78 2qij h PHE 103 N 0.03 0.82 0.00 2.65 3.57 -0.02 -0.81 116.94 123.17 2qij h PHE 103 Ca -0.18 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 2qij h PHE 103 Cb 1.83 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 2qij h PHE 103 CO 0.14 0.55 -0.32 0.45 -2.23 0.00 0.00 178.31 176.91 2qij h HIS 104 N 0.86 0.00 -0.99 0.41 3.86 -1.50 -2.60 115.15 115.19 2qij h HIS 104 Ca 0.22 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.54 2qij h HIS 104 Cb -0.02 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.37 2qij h HIS 104 CO 0.00 0.72 0.63 0.82 0.86 0.00 0.00 177.93 180.96 2qij h ILE 105 N -1.00 0.95 -0.42 2.45 2.04 -1.24 0.86 117.51 121.15 2qij h ILE 105 Ca -0.07 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 2qij h ILE 105 Cb 0.74 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2qij h ILE 105 CO -0.04 0.18 -0.15 0.28 0.00 0.00 0.00 178.15 178.42 2qij h SER 106 N 1.00 0.78 0.33 1.72 0.02 -1.28 0.12 113.55 116.25 2qij h SER 106 Ca 0.48 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2qij h SER 106 Cb 0.44 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2qij h SER 106 CO -0.24 0.94 -0.16 0.00 -1.14 0.00 0.00 176.83 176.23 2qij h LEU 108 N -0.73 0.00 0.11 0.00 3.38 -0.75 0.79 115.31 118.11 2qij h LEU 108 Ca -0.05 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.56 2qij h LEU 108 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2qij h LEU 108 CO 0.07 0.00 -2.04 0.41 0.09 0.00 0.00 178.44 176.98 2qij n THR 109 N -3.68 1.76 -0.01 0.22 -1.04 0.02 -4.70 114.28 106.84 2qij n THR 109 Ca 0.06 -0.64 0.01 0.00 -2.04 0.00 0.00 64.05 61.43 2qij n THR 109 Cb 0.57 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 2qij n THR 109 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2qij n PHE 110 N -3.47 0.00 0.00 -1.42 3.72 0.15 -4.86 117.46 111.57 2qij n PHE 110 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2qij n PHE 110 Cb 1.04 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2qij n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qij n GLY 111 N 2.46 2.36 0.01 1.37 0.00 0.27 -4.69 105.19 106.97 2qij n GLY 111 Ca -0.03 -1.03 -0.00 0.00 0.00 0.00 0.00 46.02 44.96 2qij n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qij n ARG 112 N 0.97 -0.01 0.00 1.61 5.12 -1.26 0.16 116.66 123.25 2qij n ARG 112 Ca 0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2qij n ARG 112 Cb 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 2qij n ARG 112 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2qij n GLU 113 N -2.87 0.00 -0.27 5.56 -0.58 -1.26 0.91 120.64 122.13 2qij n GLU 113 Ca 0.00 0.92 -0.11 0.00 -0.42 0.00 0.00 57.16 57.54 2qij n GLU 113 Cb 0.01 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 29.32 2qij n GLU 113 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2qij h THR 114 N 0.00 0.01 -0.55 2.62 2.02 0.12 0.69 112.91 117.82 2qij h THR 114 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2qij h THR 114 Cb 0.00 0.01 -0.11 0.00 -1.74 0.00 0.00 68.15 66.32 2qij h THR 114 CO 0.00 0.00 -0.37 0.58 0.37 0.00 0.00 175.52 176.10 2qij h VAL 115 N -0.19 0.14 0.44 3.16 2.07 0.36 1.85 116.25 124.08 2qij h VAL 115 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2qij h VAL 115 Cb 0.52 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2qij h VAL 115 CO -0.77 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 176.37 2qij h LEU 116 N -0.21 -1.03 -0.97 2.57 3.38 0.24 0.33 115.31 119.62 2qij h LEU 116 Ca 0.20 0.08 0.29 0.00 0.09 0.00 0.00 57.88 58.54 2qij h LEU 116 Cb 0.56 0.33 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 2qij h LEU 116 CO -0.66 -0.52 0.14 -0.33 0.09 0.00 0.00 178.44 177.17 2qij h GLU 117 N -0.80 0.03 0.22 1.13 5.08 0.28 0.22 114.58 120.75 2qij h GLU 117 Ca -0.06 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2qij h GLU 117 Cb 0.68 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2qij h GLU 117 CO -0.02 0.02 -0.34 -0.92 -1.00 0.00 0.00 179.01 176.76 2qij h TYR 118 N 0.03 -0.93 -0.13 4.33 3.20 0.41 -1.10 116.97 122.79 2qij h TYR 118 Ca 0.64 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.53 2qij h TYR 118 Cb 1.39 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 2qij h TYR 118 CO -0.38 -0.46 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.46 2qij h LEU 119 N -0.63 -0.48 -0.29 2.82 3.38 0.14 -0.12 115.31 120.13 2qij h LEU 119 Ca 0.01 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2qij h LEU 119 Cb 0.62 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2qij h LEU 119 CO -0.13 -0.09 -0.25 0.58 0.09 0.00 0.00 178.44 178.63 2qij h VAL 120 N -0.08 0.36 0.00 1.22 2.07 -1.38 -1.25 116.25 117.19 2qij h VAL 120 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2qij h VAL 120 Cb 0.14 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2qij h VAL 120 CO -0.17 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.18 2qij n SER 121 N -5.39 0.00 0.02 0.57 2.88 -0.43 -0.24 113.62 111.04 2qij n SER 121 Ca -0.00 0.86 -0.08 0.00 -1.33 0.00 0.00 58.87 58.32 2qij n SER 121 Cb 0.30 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.36 2qij n SER 121 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2qij h PHE 122 N 0.00 -0.78 -0.61 0.66 3.04 -0.94 0.92 116.94 119.23 2qij h PHE 122 Ca 0.00 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.08 2qij h PHE 122 Cb 0.00 0.34 -0.10 0.00 2.56 0.00 0.00 35.95 38.75 2qij h PHE 122 CO -0.67 -0.28 -0.21 0.41 -2.02 0.00 0.00 178.31 175.55 2qij n GLY 123 N -1.23 -1.17 0.20 2.40 0.00 -0.48 0.96 105.19 105.87 2qij n GLY 123 Ca -0.04 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 2qij n GLY 123 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qij h VAL 124 N 0.00 0.69 -0.44 1.61 2.07 0.55 -2.81 116.25 117.91 2qij h VAL 124 Ca 0.24 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2qij h VAL 124 Cb 0.39 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 2qij h VAL 124 CO -0.61 0.10 -0.19 -0.25 0.02 0.00 0.00 177.57 176.64 2qij h TRP 125 N -0.73 -0.47 -0.50 1.57 7.01 0.30 0.38 115.95 123.51 2qij h TRP 125 Ca -0.04 0.05 0.14 0.00 2.11 0.00 0.00 58.89 61.15 2qij h TRP 125 Cb 0.49 0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.81 2qij h TRP 125 CO 0.02 -0.28 0.39 0.97 -2.79 0.00 0.00 178.44 176.75 2qij h ILE 126 N -0.10 0.63 -0.46 2.65 2.10 0.42 0.17 117.51 122.92 2qij h ILE 126 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.15 2qij h ILE 126 Cb 0.43 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 2qij h ILE 126 CO -0.51 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.10 2qij n ARG 127 N -4.20 4.13 -3.97 2.19 1.74 0.13 -4.91 116.66 111.77 2qij n ARG 127 Ca 0.09 -2.53 -0.35 0.00 -0.77 0.00 0.00 57.85 54.29 2qij n ARG 127 Cb 0.60 -2.11 -0.11 0.00 -1.02 0.00 0.00 32.46 29.82 2qij n ARG 127 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qij s THR 128 N -2.40 4.66 -0.28 0.55 2.01 0.59 -5.00 115.64 115.76 2qij s THR 128 Ca 0.44 -0.07 -0.40 0.00 0.31 0.00 0.00 61.69 61.97 2qij s THR 128 Cb 0.33 -3.12 -0.15 0.00 0.01 0.00 0.00 72.50 69.57 2qij s THR 128 CO 0.13 0.43 1.78 -2.65 -0.69 0.00 0.00 174.62 173.62 2qij n PRO 129 N 3.89 1.17 -0.30 4.92 -0.02 -1.26 -4.73 135.00 138.67 2qij n PRO 129 Ca -0.16 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2qij n PRO 129 Cb 0.52 -2.13 0.29 0.00 -0.02 0.00 0.00 33.50 32.15 2qij n PRO 129 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2qij h PRO 130 N 7.58 0.15 -1.54 0.52 0.13 -1.94 0.14 132.00 137.04 2qij h PRO 130 Ca -0.45 -0.01 0.45 0.00 -0.87 0.00 0.00 66.00 65.12 2qij h PRO 130 Cb 1.32 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2qij h PRO 130 CO 0.97 0.10 1.31 0.00 -0.23 0.00 0.00 178.00 180.15 2qij h ALA 131 N 1.81 3.46 -1.47 -0.56 0.00 -1.99 -1.35 119.26 119.16 2qij h ALA 131 Ca 0.55 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 54.92 2qij h ALA 131 Cb 1.13 0.12 -0.41 0.00 0.00 0.00 0.00 17.79 18.62 2qij h ALA 131 CO -0.70 -2.11 -0.94 0.66 0.00 0.00 0.00 179.25 176.16 2qij n TYR 132 N -3.65 2.34 -3.91 0.00 4.01 0.04 -5.07 117.16 110.92 2qij n TYR 132 Ca 0.35 -3.17 -0.08 0.00 -0.16 0.00 0.00 57.90 54.83 2qij n TYR 132 Cb 1.78 -0.27 -0.08 0.00 -0.31 0.00 0.00 39.34 40.46 2qij n TYR 132 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2qij s ARG 133 N -3.27 0.79 0.44 -0.72 1.70 -0.51 -4.87 118.95 112.50 2qij s ARG 133 Ca 0.40 -1.01 -0.22 0.00 -0.47 0.00 0.00 55.73 54.43 2qij s ARG 133 Cb 0.40 0.31 -0.12 0.00 -0.57 0.00 0.00 34.95 34.97 2qij s ARG 133 CO -0.09 -0.23 0.57 -2.30 -1.08 0.00 0.00 175.30 172.18 2qij n PRO 134 N 0.00 0.62 -0.04 3.89 -0.02 -1.26 -4.82 135.00 133.37 2qij n PRO 134 Ca -0.15 0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 2qij n PRO 134 Cb 0.62 -1.56 -0.08 0.00 -0.02 0.00 0.00 33.50 32.46 2qij n PRO 134 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2qij h PRO 135 N 0.79 -0.47 -6.06 0.52 0.13 -1.99 -3.42 132.00 121.51 2qij h PRO 135 Ca -0.41 0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.06 2qij h PRO 135 Cb 1.39 0.11 -0.29 0.00 0.13 0.00 0.00 31.00 32.34 2qij h PRO 135 CO 0.51 -0.31 -0.85 0.54 -0.23 0.00 0.00 178.00 177.66 2qij s ASN 136 N -4.92 3.38 0.97 1.44 6.03 -1.26 -5.11 114.94 115.47 2qij s ASN 136 Ca -0.15 -0.42 -0.15 0.00 -1.03 0.00 0.00 52.86 51.11 2qij s ASN 136 Cb 0.09 -0.88 -0.03 0.00 -3.03 0.00 0.00 41.25 37.39 2qij s ASN 136 CO 0.63 0.26 -0.08 0.00 -2.03 0.00 0.00 177.10 175.88 2qij n ALA 137 N 2.83 -3.77 -2.06 3.54 0.00 -1.26 -4.96 120.51 114.83 2qij n ALA 137 Ca -0.17 -0.67 -0.25 0.00 0.00 0.00 0.00 53.44 52.35 2qij n ALA 137 Cb 0.52 -1.53 0.04 0.00 0.00 0.00 0.00 19.45 18.48 2qij n ALA 137 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qij s PRO 138 N -3.01 2.67 0.07 0.00 0.05 -1.26 -5.11 135.00 128.40 2qij s PRO 138 Ca 0.50 -0.33 -0.06 0.00 0.05 0.00 0.00 61.00 61.16 2qij s PRO 138 Cb -0.19 -2.34 -0.01 0.00 0.05 0.00 0.00 34.50 32.01 2qij s PRO 138 CO 0.73 -0.78 0.12 -1.50 0.05 0.00 0.00 177.00 175.63 2qij s ILE 139 N -2.94 0.16 0.13 0.56 2.07 -1.26 -4.97 121.20 114.95 2qij s ILE 139 Ca 0.55 -1.32 -0.30 0.00 -1.41 0.00 0.00 60.65 58.17 2qij s ILE 139 Cb -0.10 -1.31 -0.06 0.00 0.13 0.00 0.00 42.46 41.11 2qij s ILE 139 CO 0.42 -0.73 0.97 -0.76 -1.91 0.00 0.00 174.94 172.94 2qij s LEU 140 N -2.74 4.51 0.05 8.50 1.02 -1.26 -5.03 118.68 123.73 2qij s LEU 140 Ca 0.04 1.84 -0.10 0.00 0.02 0.00 0.00 54.13 55.92 2qij s LEU 140 Cb 0.05 -3.59 0.01 0.00 0.02 0.00 0.00 46.19 42.67 2qij s LEU 140 CO -0.10 -0.06 0.22 -0.94 0.02 0.00 0.00 176.35 175.50 2qij s SER 141 N -0.13 0.01 0.00 2.29 1.04 -1.26 -5.10 113.70 110.55 2qij s SER 141 Ca 0.47 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.57 2qij s SER 141 Cb -0.24 0.31 0.27 0.00 0.10 0.00 0.00 66.02 66.47 2qij s SER 141 CO 0.30 -0.60 0.75 0.41 0.98 0.00 0.00 173.24 175.08