#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 -1.12 -2.20 -5.12 0.00 -1.26 -4.87 120.51 105.94 1tuz n ALA 2 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1tuz n ALA 2 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 1tuz n ALA 2 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1tuz n LYS 3 N -3.69 0.76 -0.66 0.00 2.85 -1.26 -5.10 118.16 111.06 1tuz n LYS 3 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1tuz n LYS 3 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 1tuz n LYS 3 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1tuz n GLU 4 N 0.00 -1.85 -4.36 -1.58 4.07 -1.26 -5.05 120.64 110.61 1tuz n GLU 4 Ca 0.00 1.39 -0.20 0.00 -0.06 0.00 0.00 57.16 58.29 1tuz n GLU 4 Cb 0.00 -1.60 -0.10 0.00 -0.06 0.00 0.00 31.44 29.68 1tuz n GLU 4 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1tuz s ARG 5 N -4.97 1.36 -0.07 5.31 1.70 -0.01 -4.98 118.95 117.30 1tuz s ARG 5 Ca 0.00 -1.56 -0.05 0.00 -0.47 0.00 0.00 55.73 53.65 1tuz s ARG 5 Cb 0.00 -1.29 0.02 0.00 -0.57 0.00 0.00 34.95 33.11 1tuz s ARG 5 CO 0.00 0.24 0.10 0.41 -1.08 0.00 0.00 175.30 174.97 1tuz n GLY 6 N -0.19 -3.09 3.66 3.88 0.00 -1.26 -3.89 105.19 104.29 1tuz n GLY 6 Ca -0.09 0.76 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.37 4.23 -0.06 0.99 2.01 -1.26 -4.39 118.68 119.83 1tuz s LEU 7 Ca -0.12 1.87 -0.30 0.00 0.01 0.00 0.00 54.13 55.59 1tuz s LEU 7 Cb 0.01 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 42.62 1tuz s LEU 7 CO 0.32 -0.81 1.66 0.27 1.01 0.00 0.00 176.35 178.80 1tuz s ILE 8 N 3.65 3.57 1.00 -0.59 -4.36 -1.26 -4.97 121.20 118.24 1tuz s ILE 8 Ca 0.61 0.68 -0.13 0.00 -0.26 0.00 0.00 60.65 61.55 1tuz s ILE 8 Cb -0.25 -3.45 0.19 0.00 1.25 0.00 0.00 42.46 40.20 1tuz s ILE 8 CO 0.19 -0.07 0.42 -0.24 0.24 0.00 0.00 174.94 175.48 1tuz n SER 9 N 7.22 -3.10 0.00 4.36 2.88 -1.26 -4.67 113.62 119.05 1tuz n SER 9 Ca 0.17 -0.43 0.11 0.00 -1.33 0.00 0.00 58.87 57.40 1tuz n SER 9 Cb 0.43 -0.76 0.60 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.89 0.41 -0.04 -1.46 -0.04 -1.26 -3.08 135.00 127.64 1tuz n PRO 10 Ca 0.07 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 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 0.77 -0.04 0.00 0.00 175.50 176.23 1tuz h SER 11 N 0.00 0.12 -0.55 3.54 0.02 -1.99 -2.44 113.55 112.25 1tuz h SER 11 Ca 0.00 -0.96 -0.05 0.00 -0.84 0.00 0.00 61.79 59.95 1tuz h SER 11 Cb 0.17 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1tuz h SER 11 CO 0.00 1.07 0.17 -0.78 -1.14 0.00 0.00 176.83 176.15 1tuz h ASP 12 N -0.80 0.81 -0.50 3.07 3.58 -1.85 -1.79 116.42 118.94 1tuz h ASP 12 Ca -0.03 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.21 1tuz h ASP 12 Cb 1.13 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1tuz h ASP 12 CO 0.04 0.81 0.33 0.15 -2.88 0.00 0.00 179.24 177.68 1tuz h PHE 13 N 0.77 0.62 0.52 0.28 3.04 -1.65 0.44 116.94 120.96 1tuz h PHE 13 Ca 0.18 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1tuz h PHE 13 Cb 0.29 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1tuz h PHE 13 CO 0.02 0.39 -0.37 0.00 -2.02 0.00 0.00 178.31 176.33 1tuz h ALA 14 N 1.18 -0.88 -0.20 2.41 0.00 -1.18 0.69 119.26 121.27 1tuz h ALA 14 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1tuz h ALA 14 Cb -0.07 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1tuz h ALA 14 CO -0.04 -1.02 -0.29 0.37 0.00 0.00 0.00 179.25 178.27 1tuz h GLN 15 N -0.86 -0.31 -0.35 0.00 -0.00 -1.15 1.40 115.11 113.84 1tuz h GLN 15 Ca -0.06 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.67 1tuz h GLN 15 Cb 0.72 0.07 -0.05 0.00 0.00 0.00 0.00 27.48 28.22 1tuz h GLN 15 CO 0.03 -0.20 0.05 1.25 0.00 0.00 0.00 178.83 179.95 1tuz h LEU 16 N -0.32 -0.03 0.72 -2.39 6.46 -0.69 0.22 115.31 119.27 1tuz h LEU 16 Ca 0.12 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1tuz h LEU 16 Cb 0.51 0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1tuz h LEU 16 CO -0.38 0.02 -0.35 -0.61 -0.62 0.00 0.00 178.44 176.50 1tuz h GLN 17 N 0.16 -0.93 -0.43 1.25 4.15 0.16 1.23 115.11 120.70 1tuz h GLN 17 Ca 0.17 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.73 1tuz h GLN 17 Cb 0.20 0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.01 1tuz h GLN 17 CO -0.24 -0.62 -0.37 -0.22 -1.93 0.00 0.00 178.83 175.45 1tuz h LYS 18 N -0.97 -0.26 -0.13 1.69 3.11 0.22 1.55 116.57 121.77 1tuz h LYS 18 Ca -0.10 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1tuz h LYS 18 Cb 0.74 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.03 1tuz h LYS 18 CO 0.16 -0.17 0.07 1.88 -2.81 0.00 0.00 179.45 178.58 1tuz h TYR 19 N -0.27 0.18 0.39 1.91 -1.99 -0.43 -2.66 116.97 114.10 1tuz h TYR 19 Ca 0.17 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 1tuz h TYR 19 Cb 0.56 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1tuz h TYR 19 CO -0.59 0.20 -0.33 1.98 -0.00 0.00 0.00 178.16 179.42 1tuz h MET 20 N 0.12 -0.71 -0.85 4.88 4.05 0.28 -1.70 114.93 121.00 1tuz h MET 20 Ca 0.05 0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.66 1tuz h MET 20 Cb 0.07 0.16 -0.15 0.00 -0.80 0.00 0.00 31.60 30.89 1tuz h MET 20 CO -0.01 -0.47 -0.34 0.93 0.23 0.00 0.00 176.91 177.25 1tuz h GLU 21 N -0.73 -0.05 -0.69 0.39 5.08 0.22 1.11 114.58 119.90 1tuz h GLU 21 Ca -0.03 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1tuz h GLU 21 Cb 0.64 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1tuz h GLU 21 CO -0.03 -0.03 0.46 -0.92 -1.00 0.00 0.00 179.01 177.49 1tuz h TYR 22 N -0.05 0.71 -4.44 4.33 5.03 -1.18 -3.42 116.97 117.94 1tuz h TYR 22 Ca 0.32 0.02 -0.49 0.00 2.58 0.00 0.00 58.73 61.16 1tuz h TYR 22 Cb 0.59 -0.23 0.09 0.00 1.55 0.00 0.00 36.73 38.73 1tuz h TYR 22 CO -0.77 0.37 0.39 0.45 -1.32 0.00 0.00 178.16 177.29 1tuz s SER 23 N -6.23 5.09 -0.00 -2.11 0.15 0.38 -5.00 113.70 105.98 1tuz s SER 23 Ca -0.09 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1tuz s SER 23 Cb 0.19 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1tuz s SER 23 CO 0.77 -1.57 0.61 0.35 1.20 0.00 0.00 173.24 174.60 1tuz n THR 24 N -3.15 0.16 -2.01 6.45 -2.24 -1.26 -4.91 114.28 107.31 1tuz n THR 24 Ca 0.07 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 1tuz n THR 24 Cb 0.57 0.88 0.14 0.00 -2.10 0.00 0.00 70.33 69.82 1tuz n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tuz n LYS 25 N -0.09 -0.67 -4.14 -0.78 4.76 -1.26 -5.11 118.16 110.88 1tuz n LYS 25 Ca 0.00 -1.83 -0.13 0.00 -2.87 0.00 0.00 58.31 53.49 1tuz n LYS 25 Cb 0.48 -0.90 -0.11 0.00 -1.84 0.00 0.00 35.03 32.67 1tuz n LYS 25 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1tuz s LYS 26 N -5.06 0.74 0.26 1.97 1.02 -1.26 -5.01 119.74 112.40 1tuz s LYS 26 Ca 0.58 -1.08 0.05 0.00 0.02 0.00 0.00 55.97 55.54 1tuz s LYS 26 Cb -0.02 -0.34 0.33 0.00 -0.52 0.00 0.00 37.83 37.27 1tuz s LYS 26 CO 0.40 0.04 1.61 -0.24 -0.92 0.00 0.00 175.35 176.24 1tuz h VAL 27 N 3.68 1.36 0.00 3.17 3.04 -1.94 -2.40 116.25 123.16 1tuz h VAL 27 Ca -0.36 -1.82 -0.03 0.00 -1.01 0.00 0.00 66.70 63.48 1tuz h VAL 27 Cb 1.18 1.89 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1tuz h VAL 27 CO 0.53 0.54 -0.13 0.77 -1.01 0.00 0.00 177.57 178.27 1tuz h SER 28 N 0.18 0.00 -0.12 3.17 4.64 -1.96 0.82 113.55 120.29 1tuz h SER 28 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1tuz h SER 28 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1tuz h SER 28 CO 0.08 0.13 -0.35 -0.78 -0.87 0.00 0.00 176.83 175.03 1tuz h ASP 29 N 0.00 0.52 0.49 4.97 3.58 -1.85 -2.68 116.42 121.45 1tuz h ASP 29 Ca -0.00 -0.60 -0.17 0.00 0.42 0.00 0.00 57.03 56.68 1tuz h ASP 29 Cb 0.57 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1tuz h ASP 29 CO 0.02 1.02 -0.73 0.58 -2.88 0.00 0.00 179.24 177.25 1tuz h VAL 30 N 0.03 1.44 0.19 2.25 2.07 -1.36 -3.03 116.25 117.85 1tuz h VAL 30 Ca -0.01 -2.29 0.01 0.00 0.82 0.00 0.00 66.70 65.23 1tuz h VAL 30 Cb 0.97 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1tuz h VAL 30 CO 0.08 0.67 -0.33 -0.07 0.02 0.00 0.00 177.57 177.94 1tuz h LEU 31 N 0.13 -0.92 -2.70 2.57 4.07 -0.81 0.64 115.31 118.29 1tuz h LEU 31 Ca -0.02 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1tuz h LEU 31 Cb 1.29 0.34 -0.00 0.00 1.08 0.00 0.00 40.66 43.36 1tuz h LEU 31 CO 0.11 -0.43 0.04 0.07 -1.08 0.00 0.00 178.44 177.15 1tuz h LYS 32 N -0.59 0.00 0.00 1.13 2.10 -1.50 0.36 116.57 118.07 1tuz h LYS 32 Ca 0.01 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.48 1tuz h LYS 32 Cb 0.59 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.90 1tuz h LYS 32 CO -0.15 0.00 -0.94 -0.07 -2.00 0.00 0.00 179.45 176.30 1tuz h LEU 33 N 0.00 0.00 -0.07 7.07 3.38 -0.50 -1.91 115.31 123.27 1tuz h LEU 33 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1tuz h LEU 33 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1tuz h LEU 33 CO -0.00 0.81 0.00 0.49 0.09 0.00 0.00 178.44 179.83 1tuz n PHE 34 N -3.25 0.18 -0.11 1.13 3.72 0.19 0.18 117.46 119.50 1tuz n PHE 34 Ca -0.02 0.06 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 1tuz n PHE 34 Cb 0.88 -0.60 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 1tuz n PHE 34 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1tuz n GLU 35 N -1.66 0.51 -0.01 -1.08 0.28 -1.01 -3.55 120.64 114.11 1tuz n GLU 35 Ca 0.05 0.17 -0.02 0.00 -0.16 0.00 0.00 57.16 57.20 1tuz n GLU 35 Cb 0.27 -1.36 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 1tuz n GLU 35 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1tuz n ASP 36 N -3.61 4.16 -3.23 -1.84 -0.08 -0.73 -4.81 116.55 106.41 1tuz n ASP 36 Ca -0.42 -0.01 -0.11 0.00 -1.51 0.00 0.00 54.79 52.75 1tuz n ASP 36 Cb 0.86 0.36 0.10 0.00 2.34 0.00 0.00 41.12 44.78 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1tuz n GLY 37 N 3.01 -2.42 0.15 0.27 0.00 0.48 -4.79 105.19 101.89 1tuz n GLY 37 Ca -0.05 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1tuz n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tuz h GLU 38 N 0.00 0.00 0.00 1.61 4.39 -1.94 -2.91 114.58 115.73 1tuz h GLU 38 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1tuz h GLU 38 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1tuz h GLU 38 CO 0.08 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.60 1tuz n MET 39 N -2.53 0.07 0.00 2.33 2.81 -1.18 -2.34 117.12 116.29 1tuz n MET 39 Ca 0.04 0.19 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 1tuz n MET 39 Cb 0.41 -1.61 0.68 0.00 -0.71 0.00 0.00 33.22 31.99 1tuz n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tuz n ALA 40 N -1.59 2.34 0.21 3.04 0.00 -1.10 -2.42 120.51 120.99 1tuz n ALA 40 Ca 0.05 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1tuz n ALA 40 Cb 0.28 -1.40 0.32 0.00 0.00 0.00 0.00 19.45 18.65 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 0.00 -1.40 0.00 2.10 -1.69 -3.24 116.57 112.34 1tuz h LYS 41 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 1tuz h LYS 41 Cb 0.10 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 31.02 1tuz h LYS 41 CO 0.00 0.21 -0.82 0.66 -2.00 0.00 0.00 179.45 177.50 1tuz n TYR 42 N -3.24 2.97 -4.77 0.07 4.01 -1.01 -5.02 117.16 110.16 1tuz n TYR 42 Ca 0.02 -3.03 -0.26 0.00 -0.16 0.00 0.00 57.90 54.46 1tuz n TYR 42 Cb 0.51 -0.14 -0.16 0.00 -0.31 0.00 0.00 39.34 39.23 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 -5.06 1.38 -0.76 -0.72 1.01 -1.23 -4.52 120.40 110.49 1tuz s VAL 43 Ca 0.44 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 1tuz s VAL 43 Cb 0.41 -1.21 0.20 0.00 0.00 0.00 0.00 36.38 35.78 1tuz s VAL 43 CO -0.14 0.40 0.65 -1.10 0.00 0.00 0.00 175.10 174.92 1tuz s GLN 44 N 0.36 3.19 3.05 2.72 -0.21 0.87 -4.94 119.66 124.70 1tuz s GLN 44 Ca -0.11 -2.59 0.00 0.00 0.02 0.00 0.00 55.36 52.69 1tuz s GLN 44 Cb -0.14 -4.12 0.00 0.00 1.00 0.00 0.00 33.01 29.75 1tuz s GLN 44 CO 0.04 -1.24 0.00 0.41 -2.12 0.00 0.00 175.29 172.38 1tuz n GLY 45 N 3.60 0.91 0.08 3.09 0.00 -1.26 -0.58 105.19 111.03 1tuz n GLY 45 Ca 0.12 0.42 0.02 0.00 0.00 0.00 0.00 46.02 46.59 1tuz n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tuz n ASP 46 N 5.95 1.34 -4.05 1.61 8.00 -1.26 -5.03 116.55 123.11 1tuz n ASP 46 Ca 0.00 -2.00 -0.20 0.00 0.71 0.00 0.00 54.79 53.30 1tuz n ASP 46 Cb 0.00 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 40.83 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tuz s ALA 47 N -1.05 0.90 0.26 2.24 0.00 0.25 -3.64 121.76 120.73 1tuz s ALA 47 Ca 0.07 -0.46 0.12 0.00 0.00 0.00 0.00 51.96 51.69 1tuz s ALA 47 Cb 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1tuz s ALA 47 CO 0.01 0.22 -0.20 -1.50 0.00 0.00 0.00 175.76 174.29 1tuz s ILE 48 N -0.23 2.51 0.07 0.00 2.07 -0.44 -0.09 121.20 125.08 1tuz s ILE 48 Ca 0.04 -2.29 0.00 0.00 -1.41 0.00 0.00 60.65 56.99 1tuz s ILE 48 Cb -0.04 -2.29 0.01 0.00 0.13 0.00 0.00 42.46 40.27 1tuz s ILE 48 CO -0.00 -0.33 0.09 0.61 -1.91 0.00 0.00 174.94 173.40 1tuz n GLY 49 N -0.43 0.81 0.20 1.50 0.00 -1.26 -0.61 105.19 105.41 1tuz n GLY 49 Ca -0.07 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.38 -0.39 -1.08 1.61 3.20 -1.98 0.12 116.97 118.07 1tuz h TYR 50 Ca -0.03 -0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.12 1tuz h TYR 50 Cb 0.11 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 1tuz h TYR 50 CO 0.00 -0.08 0.73 1.49 -1.64 0.00 0.00 178.16 178.66 1tuz h GLU 51 N -0.72 0.23 0.00 1.82 4.81 -1.95 1.17 114.58 119.93 1tuz h GLU 51 Ca -0.04 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 1tuz h GLU 51 Cb 0.49 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1tuz h GLU 51 CO 0.07 0.15 -1.02 0.78 -0.73 0.00 0.00 179.01 178.26 1tuz h GLY 52 N 0.24 0.00 1.34 1.92 0.00 -1.79 -2.41 103.07 102.37 1tuz h GLY 52 Ca 0.58 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.61 1tuz h GLY 52 CO -0.19 0.00 -1.25 -2.75 0.00 0.00 0.00 176.54 172.35 1tuz h PHE 53 N 0.00 0.89 -0.15 5.60 3.04 0.28 -2.11 116.94 124.50 1tuz h PHE 53 Ca -0.04 -0.58 -0.17 0.00 3.98 0.00 0.00 57.97 61.16 1tuz h PHE 53 Cb 1.75 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 40.19 1tuz h PHE 53 CO 0.00 1.43 -0.62 -0.56 -2.02 0.00 0.00 178.31 176.53 1tuz h GLN 54 N 0.22 0.52 0.00 1.11 -0.00 0.84 -2.94 115.11 114.87 1tuz h GLN 54 Ca -0.18 -0.36 -0.09 0.00 -0.00 0.00 0.00 58.65 58.01 1tuz h GLN 54 Cb 1.93 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 29.45 1tuz h GLN 54 CO 0.23 0.98 -0.44 -0.56 -0.00 0.00 0.00 178.83 179.04 1tuz h GLN 55 N 0.38 0.00 -0.52 0.06 3.07 -1.49 -3.15 115.11 113.46 1tuz h GLN 55 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1tuz h GLN 55 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.72 1tuz h GLN 55 CO 0.11 0.44 0.28 0.35 0.09 0.00 0.00 178.83 180.11 1tuz h PHE 56 N 0.00 0.71 -0.06 0.06 3.57 -1.19 -0.82 116.94 119.22 1tuz h PHE 56 Ca -0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1tuz h PHE 56 Cb 1.02 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1tuz h PHE 56 CO 0.00 0.53 0.21 -0.07 -2.23 0.00 0.00 178.31 176.75 1tuz h LEU 57 N 0.69 0.00 0.79 0.59 3.38 -1.51 0.50 115.31 119.76 1tuz h LEU 57 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1tuz h LEU 57 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1tuz h LEU 57 CO -0.03 0.00 -0.38 0.50 0.09 0.00 0.00 178.44 178.62 1tuz h LYS 58 N 0.00 -1.03 -0.16 1.13 3.64 -1.26 -2.40 116.57 116.50 1tuz h LYS 58 Ca 0.03 0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1tuz h LYS 58 Cb 0.45 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1tuz h LYS 58 CO -0.00 -0.69 -0.20 0.82 -2.27 0.00 0.00 179.45 177.11 1tuz h ILE 59 N -1.28 1.35 -0.04 2.00 5.03 -1.31 0.90 117.51 124.16 1tuz h ILE 59 Ca -0.11 -1.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.23 1tuz h ILE 59 Cb 0.82 1.90 -0.00 0.00 -3.03 0.00 0.00 36.82 36.51 1tuz h ILE 59 CO 0.18 0.42 -0.02 0.00 -0.68 0.00 0.00 178.15 178.05 1tuz n TYR 60 N -4.48 -0.02 1.45 1.37 9.36 0.17 -0.39 117.16 124.63 1tuz n TYR 60 Ca -0.06 0.05 0.14 0.00 3.32 0.00 0.00 57.90 61.34 1tuz n TYR 60 Cb 0.41 -0.50 0.55 0.00 -0.63 0.00 0.00 39.34 39.17 1tuz n TYR 60 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1tuz n LEU 61 N -3.08 0.91 0.00 2.98 4.32 -0.90 -4.34 117.00 116.89 1tuz n LEU 61 Ca 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.75 1tuz n LEU 61 Cb 0.01 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1tuz n LEU 61 CO -0.01 0.16 0.00 1.21 -1.22 0.00 0.00 177.39 177.54 1tuz n GLU 62 N -0.50 -1.19 -1.19 3.23 2.13 0.28 -4.55 120.64 118.84 1tuz n GLU 62 Ca 0.16 0.30 -0.34 0.00 0.66 0.00 0.00 57.16 57.94 1tuz n GLU 62 Cb 0.30 -4.29 0.11 0.00 0.27 0.00 0.00 31.44 27.84 1tuz n GLU 62 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1tuz n VAL 63 N -2.29 2.28 1.00 6.31 0.24 0.37 -4.85 118.33 121.39 1tuz n VAL 63 Ca 0.00 -0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.15 1tuz n VAL 63 Cb 0.30 -1.14 0.26 0.00 -1.47 0.00 0.00 33.84 31.79 1tuz n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tuz n ASP 64 N -2.57 0.49 -3.28 -1.34 8.00 -1.26 -4.60 116.55 111.99 1tuz n ASP 64 Ca 0.13 -0.24 0.03 0.00 0.71 0.00 0.00 54.79 55.43 1tuz n ASP 64 Cb 0.50 0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 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 -3.00 -0.40 0.11 -2.24 2.20 -1.26 -5.10 114.94 105.25 1tuz s ASN 65 Ca 0.11 0.47 -0.07 0.00 -0.94 0.00 0.00 52.86 52.43 1tuz s ASN 65 Cb 0.18 1.42 -0.06 0.00 -2.00 0.00 0.00 41.25 40.79 1tuz s ASN 65 CO 0.70 -0.08 0.38 0.54 -2.94 0.00 0.00 177.10 175.70 1tuz s VAL 66 N 2.43 5.14 -0.03 3.54 0.11 -1.26 -5.05 120.40 125.28 1tuz s VAL 66 Ca -0.01 0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 1tuz s VAL 66 Cb -0.05 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1tuz s VAL 66 CO -0.16 0.16 1.21 -2.16 -3.33 0.00 0.00 175.10 170.83 1tuz s PRO 67 N -2.28 4.36 0.43 1.54 0.04 -1.26 -4.91 135.00 132.92 1tuz s PRO 67 Ca 0.37 1.70 0.11 0.00 0.04 0.00 0.00 61.00 63.22 1tuz s PRO 67 Cb -0.13 -3.52 0.97 0.00 0.04 0.00 0.00 34.50 31.86 1tuz s PRO 67 CO 0.21 -0.42 2.04 0.07 0.04 0.00 0.00 177.00 178.94 1tuz h ARG 68 N 7.37 0.42 -0.81 4.56 -0.00 -1.98 -0.90 114.38 123.05 1tuz h ARG 68 Ca -0.36 -0.03 0.12 0.00 -0.00 0.00 0.00 59.98 59.72 1tuz h ARG 68 Cb 1.17 -0.10 -0.08 0.00 -0.00 0.00 0.00 29.97 30.96 1tuz h ARG 68 CO 0.87 0.28 0.43 1.25 -0.00 0.00 0.00 179.97 182.80 1tuz h HIS 69 N 0.44 0.77 -0.07 4.08 2.76 -1.99 0.64 115.15 121.78 1tuz h HIS 69 Ca 0.17 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.24 1tuz h HIS 69 Cb 0.15 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 28.90 1tuz h HIS 69 CO -0.00 0.25 -0.50 1.25 -1.30 0.00 0.00 177.93 177.63 1tuz h LEU 70 N 0.68 0.56 -1.66 0.26 5.85 -1.61 -2.70 115.31 116.69 1tuz h LEU 70 Ca 0.42 -0.68 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1tuz h LEU 70 Cb 0.49 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1tuz h LEU 70 CO -0.30 1.15 0.38 0.77 -0.34 0.00 0.00 178.44 180.10 1tuz h SER 71 N 0.01 0.35 -0.08 1.25 4.64 -0.21 1.43 113.55 120.94 1tuz h SER 71 Ca -0.04 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1tuz h SER 71 Cb 1.17 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1tuz h SER 71 CO 0.10 0.21 -0.04 0.25 -0.87 0.00 0.00 176.83 176.48 1tuz h LEU 72 N 0.39 0.17 -1.02 5.97 5.85 0.32 -1.44 115.31 125.55 1tuz h LEU 72 Ca 0.26 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 1tuz h LEU 72 Cb 0.50 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1tuz h LEU 72 CO -0.07 0.56 -0.47 0.00 -0.34 0.00 0.00 178.44 178.12 1tuz h ALA 73 N 0.61 1.15 -0.10 1.25 0.00 -0.88 -1.65 119.26 119.64 1tuz h ALA 73 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1tuz h ALA 73 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1tuz h ALA 73 CO 0.01 0.59 0.04 -0.07 0.00 0.00 0.00 179.25 179.83 1tuz h LEU 74 N 0.00 0.13 -0.59 0.00 3.38 0.21 -2.41 115.31 116.03 1tuz h LEU 74 Ca -0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1tuz h LEU 74 Cb 0.87 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1tuz h LEU 74 CO 0.06 0.23 0.00 0.15 0.09 0.00 0.00 178.44 178.98 1tuz h PHE 75 N 0.02 1.13 -0.33 1.13 3.57 -1.11 -2.35 116.94 119.00 1tuz h PHE 75 Ca 0.03 -0.20 0.10 0.00 3.53 0.00 0.00 57.97 61.43 1tuz h PHE 75 Cb 0.14 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1tuz h PHE 75 CO -0.03 1.00 0.32 1.96 -2.23 0.00 0.00 178.31 179.33 1tuz h GLN 76 N 0.93 0.00 -0.03 1.11 4.20 -1.09 -0.53 115.11 119.69 1tuz h GLN 76 Ca 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1tuz h GLN 76 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1tuz h GLN 76 CO 0.03 0.00 -0.06 1.03 -0.67 0.00 0.00 178.83 179.16 1tuz h SER 77 N 0.00 0.11 -3.29 1.46 0.87 -0.92 -3.39 113.55 108.39 1tuz h SER 77 Ca 0.16 -0.58 -0.61 0.00 -1.23 0.00 0.00 61.79 59.53 1tuz h SER 77 Cb 0.79 -0.03 -0.34 0.00 -0.44 0.00 0.00 62.40 62.38 1tuz h SER 77 CO -0.00 0.66 -0.85 -0.36 -0.53 0.00 0.00 176.83 175.76 1tuz s PHE 78 N -3.91 2.13 -0.29 2.24 0.08 -0.21 -0.83 117.98 117.19 1tuz s PHE 78 Ca -0.16 -0.97 -0.19 0.00 0.12 0.00 0.00 56.93 55.73 1tuz s PHE 78 Cb 0.02 -1.50 0.18 0.00 -0.57 0.00 0.00 43.02 41.15 1tuz s PHE 78 CO 0.70 -0.47 1.22 -2.00 -0.10 0.00 0.00 175.22 174.58 1tuz s GLU 79 N 0.80 0.17 0.00 0.44 2.12 -1.24 -4.61 118.70 116.38 1tuz s GLU 79 Ca -0.10 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1tuz s GLU 79 Cb -0.16 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.29 1tuz s GLU 79 CO 0.01 -0.03 0.00 0.25 -0.54 0.00 0.00 175.26 174.95 1tuz n THR 80 N 2.74 0.00 0.00 -1.70 -2.24 -1.26 -4.94 114.28 106.89 1tuz n THR 80 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1tuz n THR 80 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1tuz n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tuz n GLY 81 N 3.98 3.03 5.16 3.38 0.00 -1.26 -4.99 105.19 114.49 1tuz n GLY 81 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1tuz n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1tuz n HIS 82 N 0.00 0.00 -3.40 1.61 -0.00 -1.26 -4.48 115.22 107.69 1tuz n HIS 82 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 1tuz n HIS 82 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1tuz n HIS 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1tuz n LEU 84 N 5.20 7.29 0.00 0.00 7.99 -1.26 -4.38 117.00 131.83 1tuz n LEU 84 Ca -0.12 -4.75 0.00 0.00 -0.01 0.00 0.00 56.01 51.13 1tuz n LEU 84 Cb 0.44 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 1tuz n LEU 84 CO 0.47 1.86 0.00 -0.46 -1.51 0.00 0.00 177.39 177.74 1tuz n ASN 85 N 0.26 0.00 0.00 -1.43 0.23 -1.26 -5.17 115.26 107.89 1tuz n ASN 85 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 1tuz n ASN 85 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1tuz n ASN 85 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1tuz n GLU 86 N 0.00 0.00 -2.64 -3.83 0.00 -1.26 -5.08 120.64 107.83 1tuz n GLU 86 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 1tuz n GLU 86 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.47 1tuz n GLU 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1tuz n THR 87 N 0.00 1.28 -2.74 6.31 -1.04 -1.26 -4.89 114.28 111.94 1tuz n THR 87 Ca 0.00 -3.37 -0.09 0.00 -2.04 0.00 0.00 64.05 58.56 1tuz n THR 87 Cb 0.00 0.39 0.07 0.00 -1.82 0.00 0.00 70.33 68.97 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 -0.21 -2.59 -2.14 8.00 5.15 -1.26 -4.97 115.26 117.24 1tuz n ASN 88 Ca 0.14 -3.53 -0.11 0.00 -0.60 0.00 0.00 54.58 50.48 1tuz n ASN 88 Cb 0.80 1.89 0.05 0.00 -0.53 0.00 0.00 39.78 41.98 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 0.93 1.89 0.61 3.44 0.31 -1.26 -4.73 118.33 119.52 1tuz n VAL 89 Ca 0.07 -3.47 0.12 0.00 -0.01 0.00 0.00 64.34 61.06 1tuz n VAL 89 Cb 0.67 -0.06 0.23 0.00 -0.91 0.00 0.00 33.84 33.77 1tuz n VAL 89 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1tuz n THR 90 N -0.63 0.37 -3.86 2.52 -2.24 -1.26 -4.48 114.28 104.70 1tuz n THR 90 Ca 0.26 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1tuz n THR 90 Cb 0.90 -0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.80 1tuz n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tuz s LYS 91 N -3.14 1.83 -0.64 -0.78 1.02 -1.26 -5.05 119.74 111.71 1tuz s LYS 91 Ca 0.07 -2.55 -0.20 0.00 0.02 0.00 0.00 55.97 53.32 1tuz s LYS 91 Cb 0.14 -3.00 0.09 0.00 -0.52 0.00 0.00 37.83 34.54 1tuz s LYS 91 CO 0.69 -1.16 0.83 -0.51 -0.92 0.00 0.00 175.35 174.29 1tuz s ASP 92 N -0.28 6.21 0.52 2.83 1.01 -1.26 -5.01 116.67 120.70 1tuz s ASP 92 Ca 0.19 -1.32 0.04 0.00 0.71 0.00 0.00 52.55 52.16 1tuz s ASP 92 Cb -0.21 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1tuz s ASP 92 CO -0.03 -1.23 0.21 0.68 0.21 0.00 0.00 175.17 175.01 1tuz s VAL 93 N 3.18 1.47 0.11 -1.27 -7.23 -1.26 -4.03 120.40 111.39 1tuz s VAL 93 Ca 0.17 -1.73 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1tuz s VAL 93 Cb -0.20 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.57 1tuz s VAL 93 CO 0.07 0.00 0.42 0.54 -0.31 0.00 0.00 175.10 175.82 1tuz s VAL 94 N -2.81 0.06 0.28 1.32 0.11 0.22 -3.99 120.40 115.59 1tuz s VAL 94 Ca 0.22 -0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 58.47 1tuz s VAL 94 Cb -0.00 -1.12 -0.09 0.00 -1.53 0.00 0.00 36.38 33.64 1tuz s VAL 94 CO 0.13 -0.28 1.08 0.00 -3.33 0.00 0.00 175.10 172.70 1tuz h LEU 96 N 3.84 0.00 -1.97 0.00 4.07 -1.96 -3.18 115.31 116.10 1tuz h LEU 96 Ca -0.46 -0.24 0.32 0.00 0.08 0.00 0.00 57.88 57.57 1tuz h LEU 96 Cb 1.21 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.90 1tuz h LEU 96 CO 0.67 0.75 0.79 0.78 -1.08 0.00 0.00 178.44 180.34 1tuz h ASN 97 N -1.00 0.02 -0.45 -0.43 2.35 -1.93 1.16 115.58 115.30 1tuz h ASN 97 Ca -0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1tuz h ASN 97 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1tuz h ASN 97 CO -0.02 0.00 -0.10 0.44 -1.65 0.00 0.00 177.43 176.11 1tuz h ASP 98 N 0.02 0.86 -0.15 5.81 5.19 -1.97 -1.50 116.42 124.68 1tuz h ASP 98 Ca 0.53 -0.36 -0.15 0.00 -0.62 0.00 0.00 57.03 56.43 1tuz h ASP 98 Cb 2.08 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 41.36 1tuz h ASP 98 CO -0.02 1.02 -0.47 0.58 -3.12 0.00 0.00 179.24 177.22 1tuz h VAL 99 N 0.69 1.34 -0.06 -1.35 2.07 0.11 -2.84 116.25 116.22 1tuz h VAL 99 Ca 0.11 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.90 1tuz h VAL 99 Cb 0.63 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1tuz h VAL 99 CO 0.04 0.53 0.09 -1.28 0.02 0.00 0.00 177.57 176.97 1tuz h SER 100 N 0.23 0.00 0.22 0.57 0.87 -0.12 0.34 113.55 115.66 1tuz h SER 100 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1tuz h SER 100 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1tuz h SER 100 CO 0.10 0.00 -0.11 0.00 -0.53 0.00 0.00 176.83 176.29 1tuz h TYR 102 N -0.80 0.89 0.00 0.00 3.20 -1.18 -2.53 116.97 116.54 1tuz h TYR 102 Ca -0.03 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.66 1tuz h TYR 102 Cb 0.51 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1tuz h TYR 102 CO 0.06 0.77 -0.37 0.74 -1.64 0.00 0.00 178.16 177.71 1tuz h PHE 103 N 0.76 0.00 -0.21 -3.82 -1.00 -0.43 -2.38 116.94 109.86 1tuz h PHE 103 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1tuz h PHE 103 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1tuz h PHE 103 CO 0.02 0.37 0.14 1.03 -1.61 0.00 0.00 178.31 178.26 1tuz h SER 104 N 0.00 0.23 0.10 2.17 0.87 -0.09 0.87 113.55 117.70 1tuz h SER 104 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1tuz h SER 104 Cb 0.66 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1tuz h SER 104 CO 0.05 0.17 -0.05 0.25 -0.53 0.00 0.00 176.83 176.72 1tuz h LEU 105 N 0.27 -0.12 0.30 2.23 7.12 -1.34 1.41 115.31 125.17 1tuz h LEU 105 Ca 0.08 -0.45 -0.00 0.00 0.13 0.00 0.00 57.88 57.63 1tuz h LEU 105 Cb -0.02 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 1tuz h LEU 105 CO -0.02 0.45 -0.43 -0.07 -0.13 0.00 0.00 178.44 178.24 1tuz h LEU 106 N -0.75 -1.23 -0.53 2.25 4.07 -1.32 -2.39 115.31 115.40 1tuz h LEU 106 Ca -0.01 0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.15 1tuz h LEU 106 Cb 0.56 0.42 -0.08 0.00 1.08 0.00 0.00 40.66 42.65 1tuz h LEU 106 CO 0.02 -0.52 0.10 -0.08 -1.08 0.00 0.00 178.44 176.88 1tuz h GLU 107 N -0.76 0.22 0.00 1.13 4.22 -0.95 -3.47 114.58 114.98 1tuz h GLU 107 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1tuz h GLU 107 Cb 0.69 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1tuz h GLU 107 CO -0.13 0.15 0.00 0.41 -2.18 0.00 0.00 179.01 177.26 1tuz n GLY 108 N -1.30 0.51 1.33 1.92 0.00 0.06 -4.99 105.19 102.72 1tuz n GLY 108 Ca 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1tuz n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuz n GLY 109 N 0.00 0.54 3.40 -0.02 0.00 0.46 -4.49 105.19 105.08 1tuz n GLY 109 Ca 0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1tuz n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tuz s ARG 110 N -4.43 2.74 0.68 1.61 0.52 -1.26 -5.00 118.95 113.80 1tuz s ARG 110 Ca 0.01 -0.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 1tuz s ARG 110 Cb -0.01 -2.39 0.16 0.00 0.52 0.00 0.00 34.95 33.23 1tuz s ARG 110 CO 0.05 0.46 0.75 -0.35 0.02 0.00 0.00 175.30 176.23 1tuz n PRO 111 N 2.77 -1.54 0.00 3.54 -0.04 -1.26 -4.96 135.00 133.51 1tuz n PRO 111 Ca -0.17 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1tuz n PRO 111 Cb 0.52 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1tuz n PRO 111 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1tuz n GLU 112 N -3.14 0.00 -2.95 0.54 2.13 -1.26 -5.06 120.64 110.91 1tuz n GLU 112 Ca 0.10 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.87 1tuz n GLU 112 Cb 0.36 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.07 1tuz n GLU 112 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tuz n ASP 113 N 0.00 -7.86 -3.41 4.31 2.03 -1.26 -4.99 116.55 105.37 1tuz n ASP 113 Ca 0.00 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1tuz n ASP 113 Cb 0.00 -5.32 0.00 0.00 -0.72 0.00 0.00 41.12 35.08 1tuz n ASP 113 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1tuz n LYS 114 N -0.94 0.05 -1.24 -0.67 2.85 -1.26 -4.95 118.16 112.01 1tuz n LYS 114 Ca 0.06 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.03 1tuz n LYS 114 Cb 0.48 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.99 1tuz n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1tuz s LEU 115 N 0.00 2.39 -0.01 -5.58 1.02 -1.26 -5.07 118.68 110.17 1tuz s LEU 115 Ca 0.00 1.52 -0.02 0.00 0.02 0.00 0.00 54.13 55.65 1tuz s LEU 115 Cb 0.00 -3.99 0.00 0.00 0.02 0.00 0.00 46.19 42.22 1tuz s LEU 115 CO 0.00 -2.51 0.04 -1.61 0.02 0.00 0.00 176.35 172.29 1tuz s GLU 116 N -4.95 0.13 -0.92 1.70 0.41 -1.26 -5.08 118.70 108.73 1tuz s GLU 116 Ca 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 55.10 1tuz s GLU 116 Cb -0.18 0.05 0.27 0.00 -1.78 0.00 0.00 34.13 32.50 1tuz s GLU 116 CO 0.57 -0.02 1.12 0.91 -0.49 0.00 0.00 175.26 177.35 1tuz n TRP 117 N 2.69 3.22 -1.95 1.61 8.01 -1.26 -5.34 117.44 124.43 1tuz n TRP 117 Ca -0.15 -3.41 0.00 0.00 -1.31 0.00 0.00 57.50 52.63 1tuz n TRP 117 Cb 0.59 -1.06 0.00 0.00 -2.01 0.00 0.00 31.31 28.83 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13