#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuz n ALA 2 N 0.00 6.81 -2.79 -5.12 0.00 -1.26 -4.64 120.51 113.51 1tuz n ALA 2 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1tuz n ALA 2 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 16.77 1tuz n ALA 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1tuz n LYS 3 N 2.68 0.00 -0.99 0.00 3.00 -1.26 -5.16 118.16 116.43 1tuz n LYS 3 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 1tuz n LYS 3 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.66 1tuz n LYS 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1tuz n GLU 4 N 0.00 -2.72 -3.34 1.64 4.07 -1.26 -5.00 120.64 114.03 1tuz n GLU 4 Ca 0.00 2.07 -0.14 0.00 -0.06 0.00 0.00 57.16 59.03 1tuz n GLU 4 Cb 0.00 -2.45 -0.07 0.00 -0.06 0.00 0.00 31.44 28.86 1tuz n GLU 4 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1tuz s ARG 5 N -4.72 0.65 0.00 5.31 3.00 -1.26 -5.09 118.95 116.83 1tuz s ARG 5 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 55.73 55.01 1tuz s ARG 5 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 34.95 34.36 1tuz s ARG 5 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 175.30 174.53 1tuz n GLY 6 N 4.34 2.12 3.44 -3.53 0.00 -1.26 -4.51 105.19 105.79 1tuz n GLY 6 Ca 0.10 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 1tuz n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuz s LEU 7 N 0.00 5.25 -0.28 0.99 2.01 -1.26 -4.98 118.68 120.42 1tuz s LEU 7 Ca 0.00 -2.46 -0.08 0.00 0.01 0.00 0.00 54.13 51.60 1tuz s LEU 7 Cb 0.00 -2.38 -0.01 0.00 0.01 0.00 0.00 46.19 43.81 1tuz s LEU 7 CO 0.00 -0.89 0.10 0.27 1.01 0.00 0.00 176.35 176.84 1tuz s ILE 8 N 1.96 4.33 0.99 -0.59 -4.36 -1.26 -5.03 121.20 117.24 1tuz s ILE 8 Ca 0.34 -0.37 -0.13 0.00 -0.26 0.00 0.00 60.65 60.24 1tuz s ILE 8 Cb -0.05 -3.13 0.18 0.00 1.25 0.00 0.00 42.46 40.71 1tuz s ILE 8 CO -0.06 0.19 0.38 -0.24 0.24 0.00 0.00 174.94 175.45 1tuz n SER 9 N 4.93 -3.05 0.00 4.36 2.88 -1.26 -4.62 113.62 116.85 1tuz n SER 9 Ca -0.15 -0.41 0.12 0.00 -1.33 0.00 0.00 58.87 57.10 1tuz n SER 9 Cb 0.50 -0.75 0.71 0.00 -0.75 0.00 0.00 64.21 63.92 1tuz n SER 9 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1tuz n PRO 10 N -1.78 0.74 -0.04 -1.46 -0.04 -1.26 -2.79 135.00 128.37 1tuz n PRO 10 Ca 0.06 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1tuz n PRO 10 Cb 0.31 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 1tuz n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1tuz h SER 11 N 0.00 0.13 0.38 3.54 0.87 -1.98 0.14 113.55 116.63 1tuz h SER 11 Ca 0.00 -0.96 -0.18 0.00 -1.23 0.00 0.00 61.79 59.42 1tuz h SER 11 Cb 0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1tuz h SER 11 CO 0.00 1.08 -0.76 -0.78 -0.53 0.00 0.00 176.83 175.84 1tuz h ASP 12 N -0.80 0.37 -0.12 6.23 1.82 -1.85 -2.21 116.42 119.87 1tuz h ASP 12 Ca -0.04 -0.26 -0.13 0.00 -0.39 0.00 0.00 57.03 56.22 1tuz h ASP 12 Cb 1.15 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1tuz h ASP 12 CO 0.04 1.00 -0.42 0.15 -1.61 0.00 0.00 179.24 178.40 1tuz h PHE 13 N 0.20 0.65 0.24 0.28 3.04 -1.63 -2.56 116.94 117.16 1tuz h PHE 13 Ca -0.03 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 61.64 1tuz h PHE 13 Cb 1.34 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 1tuz h PHE 13 CO 0.04 1.02 -0.13 0.00 -2.02 0.00 0.00 178.31 177.22 1tuz h ALA 14 N 0.49 -0.34 -0.28 2.41 0.00 -0.98 1.03 119.26 121.59 1tuz h ALA 14 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1tuz h ALA 14 Cb 1.05 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1tuz h ALA 14 CO 0.09 -0.70 -0.27 0.37 0.00 0.00 0.00 179.25 178.74 1tuz h GLN 15 N -0.35 -0.25 -0.01 0.00 5.75 -1.46 1.05 115.11 119.83 1tuz h GLN 15 Ca -0.03 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1tuz h GLN 15 Cb 0.29 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 1tuz h GLN 15 CO 0.03 -0.17 0.01 1.25 -2.65 0.00 0.00 178.83 177.31 1tuz h LEU 16 N -0.26 0.02 -2.56 -2.39 5.85 -1.22 0.15 115.31 114.90 1tuz h LEU 16 Ca 0.15 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1tuz h LEU 16 Cb 0.49 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1tuz h LEU 16 CO -0.43 0.14 0.03 -0.61 -0.34 0.00 0.00 178.44 177.22 1tuz h GLN 17 N -0.10 0.00 0.00 1.25 4.15 0.20 1.50 115.11 122.10 1tuz h GLN 17 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1tuz h GLN 17 Cb 0.13 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1tuz h GLN 17 CO -0.00 0.00 -0.23 0.87 -1.93 0.00 0.00 178.83 177.54 1tuz h LYS 18 N 0.00 0.00 -0.23 1.69 1.57 0.23 -2.59 116.57 117.25 1tuz h LYS 18 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1tuz h LYS 18 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1tuz h LYS 18 CO 0.00 0.50 -0.22 1.88 -0.57 0.00 0.00 179.45 181.04 1tuz h TYR 19 N -1.00 0.67 0.00 -1.35 0.05 -0.34 -2.87 116.97 112.12 1tuz h TYR 19 Ca -0.05 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1tuz h TYR 19 Cb 0.61 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1tuz h TYR 19 CO 0.09 0.89 0.00 0.00 -1.05 0.00 0.00 178.16 178.09 1tuz h MET 20 N 0.25 0.00 -0.99 4.88 -0.00 0.19 -3.17 114.93 116.10 1tuz h MET 20 Ca 0.04 0.00 0.26 0.00 -0.00 0.00 0.00 59.70 59.99 1tuz h MET 20 Cb 0.77 0.00 -0.18 0.00 -0.00 0.00 0.00 31.60 32.19 1tuz h MET 20 CO 0.06 0.00 -0.03 1.05 -0.00 0.00 0.00 176.91 177.99 1tuz h GLU 21 N 0.00 0.01 0.05 -0.10 4.11 -1.22 -0.87 114.58 116.55 1tuz h GLU 21 Ca 0.00 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.25 1tuz h GLU 21 Cb 0.42 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1tuz h GLU 21 CO 0.00 0.00 -0.91 -0.92 0.07 0.00 0.00 179.01 177.25 1tuz h TYR 22 N 0.01 0.18 -6.07 2.06 5.03 -1.74 -3.50 116.97 112.94 1tuz h TYR 22 Ca 0.57 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.75 1tuz h TYR 22 Cb 1.13 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.40 1tuz h TYR 22 CO -0.55 1.36 -0.96 0.45 -1.32 0.00 0.00 178.16 177.13 1tuz n SER 23 N -4.30 -6.84 -1.51 -2.11 2.88 -0.34 -4.87 113.62 96.54 1tuz n SER 23 Ca -0.22 0.68 0.09 0.00 -1.33 0.00 0.00 58.87 58.08 1tuz n SER 23 Cb 0.70 -2.46 0.34 0.00 -0.75 0.00 0.00 64.21 62.05 1tuz n SER 23 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1tuz n THR 24 N 1.24 1.96 -4.22 2.46 5.66 -1.26 -4.94 114.28 115.17 1tuz n THR 24 Ca -0.01 -1.28 -0.13 0.00 -3.05 0.00 0.00 64.05 59.58 1tuz n THR 24 Cb 0.37 0.06 -0.10 0.00 -1.55 0.00 0.00 70.33 69.11 1tuz n THR 24 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1tuz s LYS 25 N -2.01 1.19 -0.10 1.09 1.02 -1.26 -5.14 119.74 114.53 1tuz s LYS 25 Ca 0.49 -1.62 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 1tuz s LYS 25 Cb 0.33 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.70 1tuz s LYS 25 CO 0.22 -0.32 0.03 0.15 -0.92 0.00 0.00 175.35 174.51 1tuz s LYS 26 N -4.09 3.12 0.35 1.68 -0.14 -1.26 -4.99 119.74 114.41 1tuz s LYS 26 Ca 0.35 -0.35 0.17 0.00 -1.36 0.00 0.00 55.97 54.78 1tuz s LYS 26 Cb 0.07 -2.89 0.56 0.00 -1.68 0.00 0.00 37.83 33.89 1tuz s LYS 26 CO 0.10 0.70 1.68 -0.24 -0.76 0.00 0.00 175.35 176.83 1tuz h VAL 27 N 4.15 0.96 0.12 3.17 3.04 -1.97 0.64 116.25 126.36 1tuz h VAL 27 Ca -0.51 -1.70 -0.28 0.00 -1.01 0.00 0.00 66.70 63.19 1tuz h VAL 27 Cb 1.20 2.03 -0.00 0.00 -2.01 0.00 0.00 31.29 32.50 1tuz h VAL 27 CO 0.56 0.42 -1.35 0.28 -1.01 0.00 0.00 177.57 176.46 1tuz h SER 28 N 0.00 0.38 0.38 3.17 0.02 -1.94 -2.49 113.55 113.08 1tuz h SER 28 Ca -0.00 -0.45 -0.20 0.00 -0.84 0.00 0.00 61.79 60.29 1tuz h SER 28 Cb 0.99 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1tuz h SER 28 CO 0.06 1.37 -0.85 0.44 -1.14 0.00 0.00 176.83 176.70 1tuz h ASP 29 N 0.07 0.43 -0.25 3.07 5.19 -1.94 -1.40 116.42 121.59 1tuz h ASP 29 Ca -0.17 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 1tuz h ASP 29 Cb 1.98 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 41.35 1tuz h ASP 29 CO 0.18 1.10 -0.08 0.58 -3.12 0.00 0.00 179.24 177.90 1tuz h VAL 30 N 0.21 1.29 0.00 -1.35 2.07 -0.94 -2.70 116.25 114.83 1tuz h VAL 30 Ca -0.05 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 1tuz h VAL 30 Cb 1.46 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1tuz h VAL 30 CO 0.14 0.35 -0.32 -0.07 0.02 0.00 0.00 177.57 177.69 1tuz h LEU 31 N 0.23 0.00 -2.78 2.57 3.38 -1.44 -1.33 115.31 115.93 1tuz h LEU 31 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1tuz h LEU 31 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1tuz h LEU 31 CO 0.03 0.32 0.05 0.11 0.09 0.00 0.00 178.44 179.04 1tuz h LYS 32 N 0.00 0.00 0.06 1.13 1.79 -0.91 0.33 116.57 118.98 1tuz h LYS 32 Ca -0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1tuz h LYS 32 Cb 0.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1tuz h LYS 32 CO 0.04 0.00 -1.17 -0.07 -1.08 0.00 0.00 179.45 177.18 1tuz h LEU 33 N 0.00 0.20 0.00 2.94 3.38 -1.20 -2.69 115.31 117.94 1tuz h LEU 33 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1tuz h LEU 33 Cb 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1tuz h LEU 33 CO -0.00 1.18 -0.10 0.49 0.09 0.00 0.00 178.44 180.10 1tuz n PHE 34 N -3.42 0.76 -0.07 1.13 3.01 0.10 0.01 117.46 118.99 1tuz n PHE 34 Ca -0.05 0.22 -0.06 0.00 1.01 0.00 0.00 57.45 58.57 1tuz n PHE 34 Cb 0.99 -0.84 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1tuz n PHE 34 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1tuz h GLU 35 N 0.00 0.00 0.00 -1.08 5.08 -1.07 -3.16 114.58 114.35 1tuz h GLU 35 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1tuz h GLU 35 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1tuz h GLU 35 CO 0.00 0.22 -1.34 -0.25 -1.00 0.00 0.00 179.01 176.65 1tuz n ASP 36 N -4.65 3.75 -4.37 1.42 8.00 -1.03 -4.78 116.55 114.88 1tuz n ASP 36 Ca -0.08 -0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1tuz n ASP 36 Cb 0.24 0.46 0.23 0.00 -0.02 0.00 0.00 41.12 42.03 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tuz n GLY 37 N 2.81 -2.33 0.33 0.44 0.00 0.10 -4.74 105.19 101.80 1tuz n GLY 37 Ca -0.09 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 45.03 1tuz n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1tuz h GLU 38 N -2.52 0.00 0.00 1.61 4.11 -1.92 0.16 114.58 116.02 1tuz h GLU 38 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.83 1tuz h GLU 38 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1tuz h GLU 38 CO 0.45 0.00 0.06 0.52 0.07 0.00 0.00 179.01 180.11 1tuz h MET 39 N 0.00 0.00 0.00 1.06 2.86 -1.79 0.53 114.93 117.59 1tuz h MET 39 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1tuz h MET 39 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1tuz h MET 39 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1tuz n ALA 40 N -1.75 2.54 0.14 6.32 0.00 0.55 -3.04 120.51 125.27 1tuz n ALA 40 Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1tuz n ALA 40 Cb 0.10 -1.48 0.32 0.00 0.00 0.00 0.00 19.45 18.39 1tuz n ALA 40 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1tuz h LYS 41 N 0.00 0.13 -0.71 0.00 2.10 -0.10 -2.59 116.57 115.40 1tuz h LYS 41 Ca 0.00 -0.05 -0.43 0.00 -2.00 0.00 0.00 60.65 58.17 1tuz h LYS 41 Cb 0.11 -0.01 -0.25 0.00 -0.90 0.00 0.00 32.23 31.19 1tuz h LYS 41 CO 0.00 0.45 0.19 0.66 -2.00 0.00 0.00 179.45 178.75 1tuz n TYR 42 N -4.12 2.31 -5.07 0.07 4.01 -1.17 -4.95 117.16 108.24 1tuz n TYR 42 Ca -0.01 -2.10 -0.32 0.00 -0.16 0.00 0.00 57.90 55.30 1tuz n TYR 42 Cb 0.39 -0.80 -0.16 0.00 -0.31 0.00 0.00 39.34 38.46 1tuz n TYR 42 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1tuz s VAL 43 N -3.85 2.42 -1.05 -0.72 1.01 -0.98 -4.35 120.40 112.88 1tuz s VAL 43 Ca 0.53 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1tuz s VAL 43 Cb 0.45 -1.96 0.26 0.00 0.00 0.00 0.00 36.38 35.14 1tuz s VAL 43 CO 0.03 0.55 1.03 -1.10 0.00 0.00 0.00 175.10 175.60 1tuz s GLN 44 N 0.25 4.00 2.82 2.72 -0.21 0.97 -4.91 119.66 125.30 1tuz s GLN 44 Ca -0.13 -3.17 0.00 0.00 0.02 0.00 0.00 55.36 52.08 1tuz s GLN 44 Cb -0.17 -4.44 0.00 0.00 1.00 0.00 0.00 33.01 29.40 1tuz s GLN 44 CO 0.07 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.40 1tuz n GLY 45 N 2.74 2.14 0.25 3.09 0.00 -1.26 -2.47 105.19 109.69 1tuz n GLY 45 Ca 0.22 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1tuz n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tuz n ASP 46 N 6.37 1.15 -3.89 1.61 5.75 -1.26 -5.03 116.55 121.25 1tuz n ASP 46 Ca 0.00 -2.40 -0.14 0.00 -0.01 0.00 0.00 54.79 52.24 1tuz n ASP 46 Cb 0.00 -0.27 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tuz s ALA 47 N -1.31 0.15 0.23 2.12 0.00 -1.03 -3.65 121.76 118.27 1tuz s ALA 47 Ca 0.14 -0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.16 1tuz s ALA 47 Cb 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1tuz s ALA 47 CO 0.01 0.02 -0.11 -1.50 0.00 0.00 0.00 175.76 174.18 1tuz s ILE 48 N 0.09 2.99 0.99 0.00 2.07 -0.25 -0.02 121.20 127.07 1tuz s ILE 48 Ca -0.01 -1.95 -0.17 0.00 -1.41 0.00 0.00 60.65 57.12 1tuz s ILE 48 Cb -0.02 -2.53 0.23 0.00 0.13 0.00 0.00 42.46 40.26 1tuz s ILE 48 CO -0.00 -0.25 1.34 0.61 -1.91 0.00 0.00 174.94 174.73 1tuz n GLY 49 N -0.34 -1.49 0.24 1.50 0.00 -1.26 0.88 105.19 104.72 1tuz n GLY 49 Ca -0.08 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1tuz n GLY 49 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1tuz h TYR 50 N -1.77 -0.49 -0.74 1.61 3.20 -1.95 -2.78 116.97 114.06 1tuz h TYR 50 Ca -0.44 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 61.57 1tuz h TYR 50 Cb 1.20 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 39.53 1tuz h TYR 50 CO 0.00 -0.17 0.25 1.49 -1.64 0.00 0.00 178.16 178.09 1tuz h GLU 51 N -0.98 0.37 -1.01 1.82 4.57 -1.95 0.15 114.58 117.55 1tuz h GLU 51 Ca -0.05 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.22 1tuz h GLU 51 Cb 0.54 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 1tuz h GLU 51 CO 0.09 0.24 0.64 0.78 -1.18 0.00 0.00 179.01 179.58 1tuz h GLY 52 N 0.38 1.64 1.11 1.92 0.00 -1.89 0.14 103.07 106.36 1tuz h GLY 52 Ca 0.41 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.42 1tuz h GLY 52 CO -0.43 0.18 0.34 -2.75 0.00 0.00 0.00 176.54 173.87 1tuz h PHE 53 N 1.01 0.00 -0.16 5.60 3.57 -0.40 0.27 116.94 126.83 1tuz h PHE 53 Ca 0.49 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.95 1tuz h PHE 53 Cb 0.46 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1tuz h PHE 53 CO -0.00 0.00 -0.08 1.96 -2.23 0.00 0.00 178.31 177.95 1tuz h GLN 54 N 0.00 0.25 0.00 1.11 1.08 -0.65 -1.50 115.11 115.40 1tuz h GLN 54 Ca 0.18 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 1tuz h GLN 54 Cb 0.86 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 1tuz h GLN 54 CO -0.00 0.35 -0.75 1.96 -0.95 0.00 0.00 178.83 179.44 1tuz h GLN 55 N 0.24 0.00 -0.09 1.46 1.08 -0.53 -3.09 115.11 114.18 1tuz h GLN 55 Ca 0.05 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1tuz h GLN 55 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1tuz h GLN 55 CO 0.02 0.75 -0.05 0.35 -0.95 0.00 0.00 178.83 178.94 1tuz h PHE 56 N 0.00 0.22 -0.01 2.96 3.57 -1.12 -2.62 116.94 119.95 1tuz h PHE 56 Ca -0.01 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1tuz h PHE 56 Cb 1.33 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1tuz h PHE 56 CO 0.00 0.57 0.02 -0.07 -2.23 0.00 0.00 178.31 176.61 1tuz h LEU 57 N -0.19 0.00 0.50 0.59 3.38 -1.39 1.82 115.31 120.02 1tuz h LEU 57 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1tuz h LEU 57 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1tuz h LEU 57 CO 0.01 0.00 -0.24 0.50 0.09 0.00 0.00 178.44 178.80 1tuz h LYS 58 N 0.00 -0.65 -0.03 1.13 3.64 -1.39 -2.84 116.57 116.44 1tuz h LYS 58 Ca 0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1tuz h LYS 58 Cb 0.05 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1tuz h LYS 58 CO -0.00 -0.41 -0.17 0.82 -2.27 0.00 0.00 179.45 177.42 1tuz h ILE 59 N -1.15 1.50 0.00 2.00 2.04 -1.17 0.46 117.51 121.19 1tuz h ILE 59 Ca -0.07 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1tuz h ILE 59 Cb 0.54 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1tuz h ILE 59 CO 0.11 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1tuz n TYR 60 N -4.58 0.00 0.23 1.37 9.36 0.61 -1.03 117.16 123.12 1tuz n TYR 60 Ca -0.09 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.25 1tuz n TYR 60 Cb 0.43 -0.33 0.37 0.00 -0.63 0.00 0.00 39.34 39.18 1tuz n TYR 60 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1tuz h LEU 61 N 0.00 0.00 0.00 2.98 4.07 -1.65 -3.43 115.31 117.28 1tuz h LEU 61 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1tuz h LEU 61 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1tuz h LEU 61 CO 0.00 0.10 0.00 1.21 -1.08 0.00 0.00 178.44 178.67 1tuz n GLU 62 N -3.17 0.00 -1.22 1.13 2.13 0.15 -4.85 120.64 114.82 1tuz n GLU 62 Ca 0.02 0.04 -0.32 0.00 0.66 0.00 0.00 57.16 57.55 1tuz n GLU 62 Cb 0.46 -2.73 0.11 0.00 0.27 0.00 0.00 31.44 29.55 1tuz n GLU 62 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1tuz s VAL 63 N -2.00 2.67 -1.34 6.31 -7.23 -0.18 -4.88 120.40 113.76 1tuz s VAL 63 Ca 0.00 0.26 0.25 0.00 -1.81 0.00 0.00 61.98 60.68 1tuz s VAL 63 Cb 0.00 -2.63 0.08 0.00 0.56 0.00 0.00 36.38 34.38 1tuz s VAL 63 CO 0.00 -0.24 1.40 0.47 -0.31 0.00 0.00 175.10 176.42 1tuz n ASP 64 N -3.35 0.83 -3.24 4.85 8.00 -1.26 -4.60 116.55 117.78 1tuz n ASP 64 Ca 0.11 -0.63 0.03 0.00 0.71 0.00 0.00 54.79 55.01 1tuz n ASP 64 Cb 0.52 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.88 1tuz n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1tuz s ASN 65 N -2.79 -0.29 0.10 -2.24 4.22 -1.26 -5.10 114.94 107.58 1tuz s ASN 65 Ca 0.16 0.34 -0.07 0.00 -2.14 0.00 0.00 52.86 51.15 1tuz s ASN 65 Cb 0.18 1.31 -0.06 0.00 1.28 0.00 0.00 41.25 43.96 1tuz s ASN 65 CO 0.64 -0.06 0.37 0.54 -2.04 0.00 0.00 177.10 176.56 1tuz s VAL 66 N 2.41 5.16 0.23 3.54 0.11 -1.26 -5.06 120.40 125.52 1tuz s VAL 66 Ca -0.02 0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.94 1tuz s VAL 66 Cb -0.05 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 31.10 1tuz s VAL 66 CO -0.15 0.17 1.10 -2.16 -3.33 0.00 0.00 175.10 170.73 1tuz s PRO 67 N -2.27 4.62 0.32 1.54 0.04 -1.26 -4.94 135.00 133.05 1tuz s PRO 67 Ca 0.36 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.22 1tuz s PRO 67 Cb -0.13 -3.23 0.53 0.00 0.04 0.00 0.00 34.50 31.71 1tuz s PRO 67 CO 0.21 0.15 1.78 0.07 0.04 0.00 0.00 177.00 179.25 1tuz h ARG 68 N 4.46 0.36 -0.51 4.56 0.11 -1.97 -1.32 114.38 120.07 1tuz h ARG 68 Ca -0.45 -0.12 0.08 0.00 0.10 0.00 0.00 59.98 59.59 1tuz h ARG 68 Cb 1.21 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 32.20 1tuz h ARG 68 CO 0.70 0.58 0.13 1.25 0.10 0.00 0.00 179.97 182.73 1tuz h HIS 69 N 0.32 0.21 -0.09 4.08 2.76 -1.98 1.23 115.15 121.69 1tuz h HIS 69 Ca 0.05 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 1tuz h HIS 69 Cb 0.61 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1tuz h HIS 69 CO 0.01 0.02 -0.20 1.25 -1.30 0.00 0.00 177.93 177.72 1tuz h LEU 70 N 0.28 0.32 -2.57 0.26 5.85 -1.91 -2.50 115.31 115.04 1tuz h LEU 70 Ca 0.26 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1tuz h LEU 70 Cb 0.33 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1tuz h LEU 70 CO -0.31 0.84 0.04 -1.28 -0.34 0.00 0.00 178.44 177.39 1tuz h SER 71 N -0.18 0.00 -0.01 1.25 0.87 -0.54 0.97 113.55 115.91 1tuz h SER 71 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1tuz h SER 71 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1tuz h SER 71 CO 0.04 0.00 -0.07 0.25 -0.53 0.00 0.00 176.83 176.52 1tuz h LEU 72 N 0.00 0.07 -0.77 2.23 5.85 0.17 -2.54 115.31 120.32 1tuz h LEU 72 Ca 0.01 -0.73 -0.13 0.00 0.84 0.00 0.00 57.88 57.87 1tuz h LEU 72 Cb 0.09 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1tuz h LEU 72 CO -0.00 0.79 -0.58 0.00 -0.34 0.00 0.00 178.44 178.31 1tuz h ALA 73 N 0.28 0.97 0.03 1.25 0.00 -0.82 0.24 119.26 121.22 1tuz h ALA 73 Ca -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1tuz h ALA 73 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1tuz h ALA 73 CO 0.01 0.72 -0.06 -0.07 0.00 0.00 0.00 179.25 179.85 1tuz h LEU 74 N 0.08 -0.17 -0.17 0.00 3.38 0.90 -0.40 115.31 118.92 1tuz h LEU 74 Ca -0.00 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1tuz h LEU 74 Cb 1.04 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1tuz h LEU 74 CO 0.08 -0.10 -0.42 0.15 0.09 0.00 0.00 178.44 178.24 1tuz h PHE 75 N -0.13 0.76 -0.73 1.13 3.57 -1.38 -3.04 116.94 117.12 1tuz h PHE 75 Ca 0.01 -0.29 0.20 0.00 3.53 0.00 0.00 57.97 61.42 1tuz h PHE 75 Cb 0.14 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1tuz h PHE 75 CO -0.12 1.05 0.52 1.96 -2.23 0.00 0.00 178.31 179.49 1tuz h GLN 76 N 0.25 0.09 0.00 1.11 4.20 -0.77 -2.94 115.11 117.05 1tuz h GLN 76 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1tuz h GLN 76 Cb 1.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1tuz h GLN 76 CO 0.09 0.06 0.00 0.43 -0.67 0.00 0.00 178.83 178.74 1tuz n SER 77 N -4.36 0.00 -4.35 1.46 7.64 -0.18 -4.78 113.62 109.05 1tuz n SER 77 Ca 0.15 0.60 -0.31 0.00 1.01 0.00 0.00 58.87 60.32 1tuz n SER 77 Cb 0.74 -0.10 -0.15 0.00 -1.01 0.00 0.00 64.21 63.69 1tuz n SER 77 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1tuz s PHE 78 N -1.40 2.37 -0.08 1.43 5.36 -1.11 -4.34 117.98 120.21 1tuz s PHE 78 Ca 0.00 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 1tuz s PHE 78 Cb 0.00 -1.47 0.04 0.00 -0.34 0.00 0.00 43.02 41.26 1tuz s PHE 78 CO 0.00 0.06 0.68 -0.85 -1.46 0.00 0.00 175.22 173.65 1tuz n GLU 79 N 2.11 0.14 -2.46 10.12 0.28 -1.26 -4.72 120.64 124.85 1tuz n GLU 79 Ca -0.16 -0.21 -0.02 0.00 -0.16 0.00 0.00 57.16 56.61 1tuz n GLU 79 Cb 0.52 0.04 -0.01 0.00 1.43 0.00 0.00 31.44 33.41 1tuz n GLU 79 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1tuz n THR 80 N -0.22 -8.32 -1.75 3.84 -2.24 -1.26 -4.63 114.28 99.72 1tuz n THR 80 Ca -0.06 1.86 -0.38 0.00 -2.27 0.00 0.00 64.05 63.20 1tuz n THR 80 Cb 0.55 -4.61 -0.03 0.00 -2.10 0.00 0.00 70.33 64.15 1tuz n THR 80 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1tuz s GLY 81 N -0.39 -0.05 -0.34 3.38 0.00 -1.26 -4.86 107.32 103.80 1tuz s GLY 81 Ca -0.08 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1tuz s GLY 81 CO 0.20 3.82 0.43 -1.58 0.00 0.00 0.00 173.10 175.97 1tuz s HIS 82 N 10.45 -0.83 -0.28 1.90 2.46 -1.26 -5.12 115.29 122.61 1tuz s HIS 82 Ca 0.87 -0.16 -0.21 0.00 0.47 0.00 0.00 55.06 56.03 1tuz s HIS 82 Cb -0.18 -0.19 0.11 0.00 -0.13 0.00 0.00 32.58 32.19 1tuz s HIS 82 CO 0.26 -1.01 0.90 0.00 -2.47 0.00 0.00 174.74 172.42 1tuz n LEU 84 N 3.13 4.46 -2.13 0.00 7.99 -1.26 -5.02 117.00 124.16 1tuz n LEU 84 Ca -0.16 -4.63 -0.01 0.00 -0.01 0.00 0.00 56.01 51.20 1tuz n LEU 84 Cb 0.57 -0.26 -0.01 0.00 -0.11 0.00 0.00 43.42 43.61 1tuz n LEU 84 CO 0.02 2.01 -0.42 0.59 -1.51 0.00 0.00 177.39 178.07 1tuz n ASN 85 N -0.64 -6.86 0.00 -1.43 4.13 -1.26 -5.09 115.26 104.11 1tuz n ASN 85 Ca 0.38 1.43 0.00 0.00 1.68 0.00 0.00 54.58 58.07 1tuz n ASN 85 Cb 0.89 -4.39 0.00 0.00 -1.54 0.00 0.00 39.78 34.74 1tuz n ASN 85 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1tuz n GLU 86 N 1.45 0.00 -1.17 3.52 1.02 -1.26 -5.03 120.64 119.17 1tuz n GLU 86 Ca -0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.82 1tuz n GLU 86 Cb 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.41 1tuz n GLU 86 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1tuz n THR 87 N -0.01 3.71 -2.86 2.62 -1.04 -1.26 -4.17 114.28 111.27 1tuz n THR 87 Ca 0.00 -2.09 -0.12 0.00 -2.04 0.00 0.00 64.05 59.80 1tuz n THR 87 Cb 0.00 -2.32 0.03 0.00 -1.82 0.00 0.00 70.33 66.22 1tuz n THR 87 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1tuz n ASN 88 N 3.04 0.17 -3.94 8.00 5.15 -1.26 -5.01 115.26 121.42 1tuz n ASN 88 Ca 0.62 -2.93 -0.36 0.00 -0.60 0.00 0.00 54.58 51.31 1tuz n ASN 88 Cb 0.56 0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.80 1tuz n ASN 88 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1tuz n VAL 89 N 0.04 3.63 -0.38 3.44 0.31 -1.26 -4.62 118.33 119.49 1tuz n VAL 89 Ca 0.12 -5.39 0.00 0.00 -0.01 0.00 0.00 64.34 59.06 1tuz n VAL 89 Cb 0.75 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1tuz n VAL 89 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1tuz n THR 90 N 1.71 0.14 -3.60 2.52 5.66 -1.26 -4.95 114.28 114.49 1tuz n THR 90 Ca 0.25 -0.38 -0.28 0.00 -3.05 0.00 0.00 64.05 60.59 1tuz n THR 90 Cb 0.37 1.22 -0.16 0.00 -1.55 0.00 0.00 70.33 70.22 1tuz n THR 90 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1tuz s LYS 91 N -0.14 0.28 0.20 1.09 2.20 -1.26 -5.07 119.74 117.03 1tuz s LYS 91 Ca 0.00 -0.50 -0.17 0.00 -0.36 0.00 0.00 55.97 54.93 1tuz s LYS 91 Cb 0.00 -1.51 0.03 0.00 -1.51 0.00 0.00 37.83 34.84 1tuz s LYS 91 CO 0.00 -0.91 0.53 0.16 -0.36 0.00 0.00 175.35 174.77 1tuz s ASP 92 N 2.02 -0.25 0.29 1.43 1.47 -1.26 -5.16 116.67 115.21 1tuz s ASP 92 Ca 0.07 -0.50 0.03 0.00 1.18 0.00 0.00 52.55 53.32 1tuz s ASP 92 Cb -0.16 0.58 -0.04 0.00 -0.34 0.00 0.00 42.92 42.96 1tuz s ASP 92 CO -0.27 -1.06 0.16 0.68 0.68 0.00 0.00 175.17 175.36 1tuz s VAL 93 N -3.88 0.27 0.03 2.11 -7.23 -1.26 -4.05 120.40 106.40 1tuz s VAL 93 Ca 0.10 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1tuz s VAL 93 Cb -0.01 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1tuz s VAL 93 CO -0.02 0.00 0.14 0.54 -0.31 0.00 0.00 175.10 175.45 1tuz s VAL 94 N -3.66 0.11 0.22 1.32 0.11 0.25 -4.11 120.40 114.65 1tuz s VAL 94 Ca 0.36 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 1tuz s VAL 94 Cb 0.05 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 34.03 1tuz s VAL 94 CO 0.18 -0.51 1.10 0.00 -3.33 0.00 0.00 175.10 172.54 1tuz h LEU 96 N 4.61 0.00 -1.10 0.00 3.38 -1.96 -3.09 115.31 117.15 1tuz h LEU 96 Ca -0.45 -0.15 0.24 0.00 0.09 0.00 0.00 57.88 57.60 1tuz h LEU 96 Cb 1.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1tuz h LEU 96 CO 0.70 0.76 0.62 0.78 0.09 0.00 0.00 178.44 181.39 1tuz h ASN 97 N -1.00 0.64 -0.45 -0.43 2.35 -1.93 1.20 115.58 115.95 1tuz h ASN 97 Ca -0.04 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1tuz h ASN 97 Cb 0.44 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1tuz h ASN 97 CO -0.02 0.14 0.09 0.44 -1.65 0.00 0.00 177.43 176.42 1tuz h ASP 98 N 0.57 0.76 0.41 5.81 5.19 -1.96 -2.06 116.42 125.13 1tuz h ASP 98 Ca 0.62 -0.15 -0.19 0.00 -0.62 0.00 0.00 57.03 56.68 1tuz h ASP 98 Cb 1.22 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1tuz h ASP 98 CO -0.41 0.77 -0.82 0.58 -3.12 0.00 0.00 179.24 176.24 1tuz h VAL 99 N 0.77 1.43 0.00 -1.35 2.07 0.11 -2.83 116.25 116.45 1tuz h VAL 99 Ca 0.16 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1tuz h VAL 99 Cb 0.34 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1tuz h VAL 99 CO 0.00 0.70 0.00 0.77 0.02 0.00 0.00 177.57 179.07 1tuz h SER 100 N 0.19 0.00 0.00 0.57 4.64 0.11 -1.91 113.55 117.16 1tuz h SER 100 Ca -0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1tuz h SER 100 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1tuz h SER 100 CO 0.13 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.98 1tuz h TYR 102 N -0.71 0.33 -0.15 0.00 5.03 -1.33 0.16 116.97 120.30 1tuz h TYR 102 Ca -0.02 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1tuz h TYR 102 Cb 0.92 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 1tuz h TYR 102 CO 0.21 0.05 -0.32 0.74 -1.32 0.00 0.00 178.16 177.52 1tuz h PHE 103 N 0.35 0.34 -0.90 -3.82 0.04 -1.52 -1.99 116.94 109.44 1tuz h PHE 103 Ca 0.31 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 61.03 1tuz h PHE 103 Cb 0.42 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 1tuz h PHE 103 CO -0.19 0.59 0.59 1.03 -0.60 0.00 0.00 178.31 179.72 1tuz h SER 104 N 0.26 0.99 -0.00 2.17 0.87 -0.29 -1.22 113.55 116.33 1tuz h SER 104 Ca 0.03 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 1tuz h SER 104 Cb 0.69 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1tuz h SER 104 CO 0.05 0.69 -0.69 -0.07 -0.53 0.00 0.00 176.83 176.29 1tuz h LEU 105 N 1.16 0.74 0.21 2.23 4.07 -1.07 0.11 115.31 122.75 1tuz h LEU 105 Ca 0.35 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1tuz h LEU 105 Cb -0.04 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.46 1tuz h LEU 105 CO -0.10 1.21 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.99 1tuz h LEU 106 N 0.45 -1.19 -1.19 1.67 4.07 -0.56 -1.17 115.31 117.40 1tuz h LEU 106 Ca -0.02 0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.97 1tuz h LEU 106 Cb 1.28 0.42 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 1tuz h LEU 106 CO 0.13 -0.47 -0.32 1.05 -1.08 0.00 0.00 178.44 177.75 1tuz h GLU 107 N -0.67 0.15 -0.44 1.13 4.11 -1.32 -3.03 114.58 114.51 1tuz h GLU 107 Ca -0.02 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.44 1tuz h GLU 107 Cb 0.63 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 1tuz h GLU 107 CO -0.16 0.46 -0.21 0.78 0.07 0.00 0.00 179.01 179.95 1tuz h GLY 108 N 1.05 0.10 -5.77 1.06 0.00 0.02 -3.00 103.07 96.53 1tuz h GLY 108 Ca 0.02 0.27 -0.60 0.00 0.00 0.00 0.00 47.33 47.01 1tuz h GLY 108 CO 0.05 -0.20 -0.55 0.61 0.00 0.00 0.00 176.54 176.44 1tuz n GLY 109 N -1.39 5.25 3.88 4.60 0.00 -0.52 -5.06 105.19 111.96 1tuz n GLY 109 Ca 0.03 -2.78 -0.32 0.00 0.00 0.00 0.00 46.02 42.95 1tuz n GLY 109 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tuz s ARG 110 N -3.02 3.75 0.64 1.61 1.70 -1.14 -4.94 118.95 117.55 1tuz s ARG 110 Ca 0.44 0.17 -0.13 0.00 -0.47 0.00 0.00 55.73 55.74 1tuz s ARG 110 Cb 0.21 -2.72 -0.02 0.00 -0.57 0.00 0.00 34.95 31.85 1tuz s ARG 110 CO -0.07 0.37 1.05 -1.25 -1.08 0.00 0.00 175.30 174.32 1tuz s PRO 111 N -2.72 3.19 0.45 3.89 0.04 -1.26 -4.95 135.00 133.63 1tuz s PRO 111 Ca 0.45 1.07 0.25 0.00 0.04 0.00 0.00 61.00 62.81 1tuz s PRO 111 Cb -0.12 -2.02 0.89 0.00 0.04 0.00 0.00 34.50 33.30 1tuz s PRO 111 CO 0.22 -0.91 1.81 1.49 0.04 0.00 0.00 177.00 179.65 1tuz h GLU 112 N -0.08 0.00 0.00 4.56 4.57 -1.98 -3.44 114.58 118.22 1tuz h GLU 112 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1tuz h GLU 112 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1tuz h GLU 112 CO 0.57 0.18 0.00 -3.47 -1.18 0.00 0.00 179.01 175.11 1tuz n ASP 113 N -3.29 0.00 -3.80 1.04 -0.08 -1.26 -5.15 116.55 104.01 1tuz n ASP 113 Ca 0.01 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.99 1tuz n ASP 113 Cb 0.44 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.14 1tuz n ASP 113 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1tuz s LYS 114 N 0.00 -1.48 1.04 -0.67 -0.14 -1.26 -4.98 119.74 112.24 1tuz s LYS 114 Ca 0.00 0.02 -0.15 0.00 -1.36 0.00 0.00 55.97 54.48 1tuz s LYS 114 Cb 0.00 -1.56 0.16 0.00 -1.68 0.00 0.00 37.83 34.75 1tuz s LYS 114 CO 0.00 -3.90 0.25 1.28 -0.76 0.00 0.00 175.35 172.22 1tuz n LEU 115 N -4.91 -1.49 -3.70 3.17 4.32 -1.26 -5.03 117.00 108.09 1tuz n LEU 115 Ca 0.12 -0.36 -0.11 0.00 -0.02 0.00 0.00 56.01 55.64 1tuz n LEU 115 Cb 0.59 -0.79 -0.12 0.00 -1.62 0.00 0.00 43.42 41.48 1tuz n LEU 115 CO 0.45 -3.26 -0.02 -1.61 -1.22 0.00 0.00 177.39 171.74 1tuz s GLU 116 N -3.48 0.31 -0.91 3.23 2.02 -1.26 -5.07 118.70 113.53 1tuz s GLU 116 Ca 0.40 0.71 -0.01 0.00 0.02 0.00 0.00 54.97 56.09 1tuz s GLU 116 Cb -0.07 -0.04 0.27 0.00 0.10 0.00 0.00 34.13 34.39 1tuz s GLU 116 CO 0.40 -0.17 1.08 0.91 0.02 0.00 0.00 175.26 177.50 1tuz n TRP 117 N 4.35 3.35 -0.45 1.61 7.02 -1.26 -5.34 117.44 126.72 1tuz n TRP 117 Ca -0.23 -3.50 0.00 0.00 -1.02 0.00 0.00 57.50 52.75 1tuz n TRP 117 Cb 0.54 -1.06 0.00 0.00 -2.42 0.00 0.00 31.31 28.37 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12