#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 0.85 -2.03 -5.12 0.00 -1.26 -5.10 120.51 107.84 1tuz n ALA 2 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1tuz n ALA 2 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.89 0.00 -2.29 0.00 4.81 -1.26 -5.07 118.16 113.47 1tuz n LYS 3 Ca -0.12 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.91 1tuz n LYS 3 Cb 0.77 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.79 1tuz n LYS 3 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1tuz s GLU 4 N 3.06 3.07 0.99 1.64 2.02 -1.26 -4.98 118.70 123.25 1tuz s GLU 4 Ca 0.00 0.43 -0.13 0.00 0.02 0.00 0.00 54.97 55.29 1tuz s GLU 4 Cb 0.00 -4.22 0.17 0.00 0.10 0.00 0.00 34.13 30.18 1tuz s GLU 4 CO 0.00 -2.22 0.33 2.89 0.02 0.00 0.00 175.26 176.28 1tuz n ARG 5 N 8.95 -2.25 -2.60 1.61 0.00 -1.26 -4.74 116.66 116.37 1tuz n ARG 5 Ca 0.14 -0.67 -0.43 0.00 -0.00 0.00 0.00 57.85 56.89 1tuz n ARG 5 Cb 0.50 -1.46 -0.00 0.00 -0.00 0.00 0.00 32.46 31.50 1tuz n ARG 5 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1tuz s GLY 6 N -1.97 1.68 -1.38 2.89 0.00 -1.16 -4.82 107.32 102.57 1tuz s GLY 6 Ca 0.35 -2.94 -0.12 0.00 0.00 0.00 0.00 44.72 42.01 1tuz s GLY 6 CO 0.32 2.69 2.47 1.04 0.00 0.00 0.00 173.10 179.61 1tuz n LEU 7 N 8.24 7.06 -4.59 0.66 4.77 -1.26 -4.88 117.00 126.99 1tuz n LEU 7 Ca 0.48 -3.94 -0.41 0.00 -0.03 0.00 0.00 56.01 52.11 1tuz n LEU 7 Cb 0.46 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 39.99 1tuz n LEU 7 CO 0.76 1.26 0.36 0.27 -1.33 0.00 0.00 177.39 178.71 1tuz s ILE 8 N 3.03 4.95 1.01 -0.08 -4.36 -1.26 -5.03 121.20 119.46 1tuz s ILE 8 Ca 0.56 0.79 -0.13 0.00 -0.26 0.00 0.00 60.65 61.61 1tuz s ILE 8 Cb 0.15 -3.99 0.19 0.00 1.25 0.00 0.00 42.46 40.06 1tuz s ILE 8 CO -0.05 -0.15 0.41 -0.24 0.24 0.00 0.00 174.94 175.15 1tuz n SER 9 N 5.86 -3.10 0.00 4.36 2.88 -1.26 -4.62 113.62 117.74 1tuz n SER 9 Ca -0.02 -0.43 0.12 0.00 -1.33 0.00 0.00 58.87 57.21 1tuz n SER 9 Cb 0.49 -0.76 0.71 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.97 0.74 -0.03 -1.46 -0.04 -1.26 -2.76 135.00 128.23 1tuz n PRO 10 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1tuz n PRO 10 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.15 0.30 3.54 0.02 -1.99 -1.62 113.55 113.95 1tuz h SER 11 Ca 0.00 -0.95 -0.21 0.00 -0.84 0.00 0.00 61.79 59.80 1tuz h SER 11 Cb 0.00 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1tuz h SER 11 CO 0.00 1.08 -0.85 0.44 -1.14 0.00 0.00 176.83 176.36 1tuz h ASP 12 N -0.76 0.51 -0.29 3.07 5.19 -1.85 -2.71 116.42 119.58 1tuz h ASP 12 Ca -0.04 -0.38 -0.05 0.00 -0.62 0.00 0.00 57.03 55.94 1tuz h ASP 12 Cb 1.15 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 1tuz h ASP 12 CO 0.05 1.16 -0.00 0.15 -3.12 0.00 0.00 179.24 177.47 1tuz h PHE 13 N 0.25 0.55 0.54 4.55 3.04 -1.63 -1.05 116.94 123.20 1tuz h PHE 13 Ca -0.06 -0.10 -0.02 0.00 3.98 0.00 0.00 57.97 61.78 1tuz h PHE 13 Cb 1.46 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.82 1tuz h PHE 13 CO 0.05 0.65 -0.35 0.00 -2.02 0.00 0.00 178.31 176.64 1tuz h ALA 14 N 0.83 -0.87 -0.26 2.41 0.00 -1.32 0.82 119.26 120.87 1tuz h ALA 14 Ca 0.08 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1tuz h ALA 14 Cb 0.44 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1tuz h ALA 14 CO 0.02 -1.01 -0.28 0.37 0.00 0.00 0.00 179.25 178.35 1tuz h GLN 15 N -0.85 -0.27 -0.85 0.00 5.75 -1.48 0.34 115.11 117.75 1tuz h GLN 15 Ca -0.06 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1tuz h GLN 15 Cb 0.70 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.26 1tuz h GLN 15 CO 0.05 -0.18 0.54 1.25 -2.65 0.00 0.00 178.83 177.84 1tuz h LEU 16 N -0.28 0.88 0.30 -2.39 5.85 -0.98 0.29 115.31 118.98 1tuz h LEU 16 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1tuz h LEU 16 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1tuz h LEU 16 CO -0.42 0.59 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.37 1tuz h GLN 17 N 1.03 -0.60 0.84 1.25 4.15 0.27 1.50 115.11 123.55 1tuz h GLN 17 Ca 0.35 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.77 1tuz h GLN 17 Cb 0.07 0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1tuz h GLN 17 CO -0.14 -0.40 -0.45 -0.22 -1.93 0.00 0.00 178.83 175.70 1tuz h LYS 18 N -0.62 -1.14 -0.21 1.69 3.64 0.03 0.17 116.57 120.13 1tuz h LYS 18 Ca -0.01 0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1tuz h LYS 18 Cb 0.57 0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.58 1tuz h LYS 18 CO -0.06 -0.76 -0.26 1.88 -2.27 0.00 0.00 179.45 177.98 1tuz h TYR 19 N -1.18 -0.70 -0.40 1.91 -1.99 -0.35 -1.87 116.97 112.39 1tuz h TYR 19 Ca -0.11 0.04 0.08 0.00 2.00 0.00 0.00 58.73 60.73 1tuz h TYR 19 Cb 0.93 0.34 -0.07 0.00 2.00 0.00 0.00 36.73 39.92 1tuz h TYR 19 CO -0.05 -0.34 -0.03 0.52 -0.00 0.00 0.00 178.16 178.26 1tuz h MET 20 N -0.29 0.07 -0.94 4.88 2.86 0.22 -1.94 114.93 119.79 1tuz h MET 20 Ca 0.12 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.91 1tuz h MET 20 Cb 0.48 -0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.96 1tuz h MET 20 CO -0.37 0.04 -0.36 0.93 1.06 0.00 0.00 176.91 178.22 1tuz h GLU 21 N 0.07 -0.02 -0.97 1.72 5.08 0.19 1.15 114.58 121.79 1tuz h GLU 21 Ca 0.20 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1tuz h GLU 21 Cb 0.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1tuz h GLU 21 CO -0.36 -0.01 0.62 -0.92 -1.00 0.00 0.00 179.01 177.33 1tuz h TYR 22 N -0.02 1.08 -3.61 4.33 5.03 -1.13 -3.40 116.97 119.25 1tuz h TYR 22 Ca 0.35 0.03 -0.51 0.00 2.58 0.00 0.00 58.73 61.18 1tuz h TYR 22 Cb 0.61 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1tuz h TYR 22 CO -0.82 0.46 0.40 -1.12 -1.32 0.00 0.00 178.16 175.76 1tuz s SER 23 N -5.77 7.44 -0.04 -2.11 0.01 0.40 -4.93 113.70 108.69 1tuz s SER 23 Ca -0.12 1.95 0.06 0.00 1.31 0.00 0.00 55.95 59.15 1tuz s SER 23 Cb 0.22 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1tuz s SER 23 CO 0.80 -0.08 0.98 1.07 0.41 0.00 0.00 173.24 176.43 1tuz n THR 24 N 2.32 0.65 -2.45 1.44 5.66 -1.26 -4.89 114.28 115.75 1tuz n THR 24 Ca 0.01 -0.77 -0.25 0.00 -3.05 0.00 0.00 64.05 60.00 1tuz n THR 24 Cb 0.47 0.33 0.14 0.00 -1.55 0.00 0.00 70.33 69.73 1tuz n THR 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1tuz n LYS 25 N -0.48 -0.39 -4.10 1.09 5.02 -1.26 -5.10 118.16 112.94 1tuz n LYS 25 Ca 0.05 -2.57 -0.32 0.00 -2.02 0.00 0.00 58.31 53.44 1tuz n LYS 25 Cb 0.62 -0.83 -0.07 0.00 -0.02 0.00 0.00 35.03 34.74 1tuz n LYS 25 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tuz s LYS 26 N -5.30 2.98 0.21 1.97 -0.14 -1.26 -5.01 119.74 113.19 1tuz s LYS 26 Ca 0.68 -0.57 0.01 0.00 -1.36 0.00 0.00 55.97 54.74 1tuz s LYS 26 Cb -0.03 -2.80 0.17 0.00 -1.68 0.00 0.00 37.83 33.49 1tuz s LYS 26 CO 0.46 0.62 1.52 -0.24 -0.76 0.00 0.00 175.35 176.95 1tuz h VAL 27 N 3.03 1.36 -0.18 3.17 3.04 -1.96 -2.32 116.25 122.38 1tuz h VAL 27 Ca -0.48 -1.94 -0.07 0.00 -1.01 0.00 0.00 66.70 63.20 1tuz h VAL 27 Cb 1.17 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 1tuz h VAL 27 CO 0.63 0.59 -0.17 -1.28 -1.01 0.00 0.00 177.57 176.32 1tuz h SER 28 N 0.28 0.30 -0.23 3.17 0.87 -1.95 0.67 113.55 116.65 1tuz h SER 28 Ca -0.01 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.29 1tuz h SER 28 Cb 1.14 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1tuz h SER 28 CO 0.10 0.50 -0.61 -0.78 -0.53 0.00 0.00 176.83 175.51 1tuz h ASP 29 N 0.29 0.93 -0.04 6.23 3.58 -1.92 -1.16 116.42 124.33 1tuz h ASP 29 Ca 0.05 -0.57 -0.19 0.00 0.42 0.00 0.00 57.03 56.74 1tuz h ASP 29 Cb 0.48 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1tuz h ASP 29 CO 0.03 1.34 -0.65 0.58 -2.88 0.00 0.00 179.24 177.65 1tuz h VAL 30 N 0.58 1.31 0.00 2.25 2.07 -0.96 -2.77 116.25 118.73 1tuz h VAL 30 Ca -0.01 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 1tuz h VAL 30 Cb 1.22 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1tuz h VAL 30 CO 0.13 0.60 -0.19 -0.07 0.02 0.00 0.00 177.57 178.06 1tuz h LEU 31 N 0.48 0.00 -2.36 2.57 3.38 0.39 -1.61 115.31 118.16 1tuz h LEU 31 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1tuz h LEU 31 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1tuz h LEU 31 CO 0.13 0.19 0.06 0.07 0.09 0.00 0.00 178.44 178.98 1tuz h LYS 32 N 0.00 0.00 -0.03 1.13 2.10 -0.90 0.28 116.57 119.14 1tuz h LYS 32 Ca -0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1tuz h LYS 32 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1tuz h LYS 32 CO 0.03 0.00 -0.69 -0.07 -2.00 0.00 0.00 179.45 176.71 1tuz h LEU 33 N 0.00 0.19 0.00 7.07 3.38 -1.38 -2.20 115.31 122.36 1tuz h LEU 33 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1tuz h LEU 33 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1tuz h LEU 33 CO -0.00 0.82 -0.06 0.49 0.09 0.00 0.00 178.44 179.78 1tuz n PHE 34 N -3.78 0.77 -0.07 1.13 3.72 0.87 -0.01 117.46 120.10 1tuz n PHE 34 Ca -0.02 0.22 -0.06 0.00 -0.05 0.00 0.00 57.45 57.54 1tuz n PHE 34 Cb 0.68 -0.85 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 1tuz n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1tuz h GLU 35 N 0.00 0.00 0.00 -1.08 5.08 -0.99 -3.18 114.58 114.41 1tuz h GLU 35 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1tuz h GLU 35 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1tuz h GLU 35 CO 0.00 0.24 -1.21 -0.25 -1.00 0.00 0.00 179.01 176.79 1tuz n ASP 36 N -4.66 4.14 -3.12 1.42 8.00 -0.85 -4.82 116.55 116.66 1tuz n ASP 36 Ca -0.08 -0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.36 1tuz n ASP 36 Cb 0.24 0.44 0.05 0.00 -0.02 0.00 0.00 41.12 41.83 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 2.92 -2.32 0.19 0.44 0.00 0.99 -4.79 105.19 102.61 1tuz n GLY 37 Ca -0.05 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.89 -3.01 114.58 115.68 1tuz h GLU 38 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1tuz h GLU 38 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1tuz h GLU 38 CO 0.04 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.56 1tuz n MET 39 N -2.81 0.37 0.00 2.33 2.81 -0.91 -2.04 117.12 116.87 1tuz n MET 39 Ca 0.04 0.08 0.15 0.00 -1.81 0.00 0.00 57.70 56.16 1tuz n MET 39 Cb 0.46 -1.50 0.86 0.00 -0.71 0.00 0.00 33.22 32.33 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 -1.19 2.59 0.53 3.04 0.00 -1.12 -2.67 120.51 121.69 1tuz n ALA 40 Ca 0.10 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1tuz n ALA 40 Cb 0.12 -1.50 0.35 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.39 0.00 2.10 -1.66 -3.12 116.57 113.50 1tuz h LYS 41 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1tuz h LYS 41 Cb 0.12 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.36 1tuz h LYS 41 CO 0.00 0.00 0.02 0.66 -2.00 0.00 0.00 179.45 178.13 1tuz n TYR 42 N -2.45 1.26 -4.72 0.07 4.01 -1.09 -4.97 117.16 109.27 1tuz n TYR 42 Ca 0.05 -1.40 -0.33 0.00 -0.16 0.00 0.00 57.90 56.06 1tuz n TYR 42 Cb 0.45 -0.49 -0.13 0.00 -0.31 0.00 0.00 39.34 38.87 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 -3.12 3.35 -0.09 -0.72 1.01 -1.18 -3.36 120.40 116.29 1tuz s VAL 43 Ca 0.45 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 1tuz s VAL 43 Cb 0.40 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1tuz s VAL 43 CO 0.04 0.56 -0.06 -1.10 0.00 0.00 0.00 175.10 174.54 1tuz s GLN 44 N -0.33 1.22 -0.85 2.72 -0.21 0.49 -4.88 119.66 117.82 1tuz s GLN 44 Ca 0.04 -0.17 -0.03 0.00 0.02 0.00 0.00 55.36 55.23 1tuz s GLN 44 Cb -0.13 -1.29 0.00 0.00 1.00 0.00 0.00 33.01 32.59 1tuz s GLN 44 CO 0.02 -0.20 0.62 0.41 -2.12 0.00 0.00 175.29 174.02 1tuz n GLY 45 N 4.69 -1.28 2.04 3.09 0.00 -1.26 0.18 105.19 112.65 1tuz n GLY 45 Ca -0.15 0.58 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.54 -2.53 -4.22 1.61 9.92 -1.26 -4.86 116.55 112.67 1tuz n ASP 46 Ca -0.28 0.25 -0.24 0.00 -0.53 0.00 0.00 54.79 53.98 1tuz n ASP 46 Cb 0.67 -2.37 -0.09 0.00 -0.64 0.00 0.00 41.12 38.70 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tuz s ALA 47 N -2.04 2.71 0.03 2.24 0.00 0.48 -3.97 121.76 121.21 1tuz s ALA 47 Ca 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1tuz s ALA 47 Cb 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1tuz s ALA 47 CO 0.00 -0.34 -0.04 -1.50 0.00 0.00 0.00 175.76 173.88 1tuz s ILE 48 N -3.27 0.24 0.06 0.00 2.07 0.82 0.19 121.20 121.30 1tuz s ILE 48 Ca 0.28 -1.04 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 1tuz s ILE 48 Cb 0.04 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.18 1tuz s ILE 48 CO 0.15 -0.51 0.08 0.61 -1.91 0.00 0.00 174.94 173.35 1tuz n GLY 49 N 1.43 1.93 0.36 1.50 0.00 -1.21 0.19 105.19 109.38 1tuz n GLY 49 Ca -0.23 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.48 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 0.01 -0.81 -1.00 1.61 3.20 -1.93 0.12 116.97 118.17 1tuz h TYR 50 Ca -0.03 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.07 1tuz h TYR 50 Cb 0.13 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 1tuz h TYR 50 CO 0.00 -0.48 0.65 1.49 -1.64 0.00 0.00 178.16 178.18 1tuz h GLU 51 N -0.96 0.36 0.00 1.82 4.57 -1.95 0.84 114.58 119.26 1tuz h GLU 51 Ca -0.09 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 1tuz h GLU 51 Cb 0.70 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1tuz h GLU 51 CO 0.15 0.24 -0.72 0.78 -1.18 0.00 0.00 179.01 178.27 1tuz h GLY 52 N 0.37 0.00 0.25 1.92 0.00 -1.70 -2.29 103.07 101.62 1tuz h GLY 52 Ca 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 1tuz h GLY 52 CO -0.23 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.53 1tuz h PHE 53 N 0.00 -0.09 -0.13 5.60 3.57 0.32 -1.08 116.94 125.13 1tuz h PHE 53 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tuz h PHE 53 Cb 1.38 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1tuz h PHE 53 CO 0.00 0.49 0.00 -0.56 -2.23 0.00 0.00 178.31 176.02 1tuz h GLN 54 N -0.84 0.19 -0.07 1.11 -0.00 -0.59 -1.83 115.11 113.08 1tuz h GLN 54 Ca -0.01 -0.02 -0.23 0.00 -0.00 0.00 0.00 58.65 58.39 1tuz h GLN 54 Cb 0.62 -0.04 0.01 0.00 -0.00 0.00 0.00 27.48 28.07 1tuz h GLN 54 CO 0.02 0.21 -0.88 1.96 -0.00 0.00 0.00 178.83 180.13 1tuz h GLN 55 N 0.19 0.65 -0.58 0.06 1.08 -1.45 -3.24 115.11 111.82 1tuz h GLN 55 Ca 0.05 -0.61 0.05 0.00 -1.45 0.00 0.00 58.65 56.69 1tuz h GLN 55 Cb 0.13 0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1tuz h GLN 55 CO 0.00 1.22 0.30 0.35 -0.95 0.00 0.00 178.83 179.75 1tuz h PHE 56 N 0.41 0.55 -0.12 2.96 3.04 -0.36 0.16 116.94 123.59 1tuz h PHE 56 Ca -0.08 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.93 1tuz h PHE 56 Cb 1.51 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.86 1tuz h PHE 56 CO 0.08 0.26 0.27 -0.07 -2.02 0.00 0.00 178.31 176.84 1tuz h LEU 57 N 0.57 0.00 0.54 0.59 4.07 -1.47 1.62 115.31 121.23 1tuz h LEU 57 Ca 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 1tuz h LEU 57 Cb 0.16 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.91 1tuz h LEU 57 CO -0.17 0.00 -0.26 0.50 -1.08 0.00 0.00 178.44 177.42 1tuz h LYS 58 N 0.00 -0.70 -0.07 1.13 3.64 -0.76 -1.92 116.57 117.89 1tuz h LYS 58 Ca 0.06 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1tuz h LYS 58 Cb 0.60 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1tuz h LYS 58 CO -0.00 -0.45 -0.22 0.82 -2.27 0.00 0.00 179.45 177.33 1tuz h ILE 59 N -1.17 1.43 -0.16 2.00 2.04 -1.14 0.33 117.51 120.84 1tuz h ILE 59 Ca -0.07 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.21 1tuz h ILE 59 Cb 0.58 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 1tuz h ILE 59 CO 0.12 0.45 -0.25 0.22 0.00 0.00 0.00 178.15 178.70 1tuz h TYR 60 N -0.22 -0.76 -0.19 1.37 3.20 0.22 0.17 116.97 120.76 1tuz h TYR 60 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1tuz h TYR 60 Cb 0.84 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1tuz h TYR 60 CO 0.12 -0.23 0.00 1.28 -1.64 0.00 0.00 178.16 177.70 1tuz n LEU 61 N -3.89 1.10 -2.22 2.82 4.32 -0.72 -4.86 117.00 113.56 1tuz n LEU 61 Ca -0.02 -0.54 -0.01 0.00 -0.02 0.00 0.00 56.01 55.42 1tuz n LEU 61 Cb 0.16 -0.13 -0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1tuz n LEU 61 CO 0.01 0.27 -0.01 -1.84 -1.22 0.00 0.00 177.39 174.59 1tuz n GLU 62 N 0.07 -2.57 -1.70 3.23 0.28 0.94 -4.81 120.64 116.09 1tuz n GLU 62 Ca 0.09 0.06 -0.29 0.00 -0.16 0.00 0.00 57.16 56.85 1tuz n GLU 62 Cb 0.19 -4.47 0.09 0.00 1.43 0.00 0.00 31.44 28.67 1tuz n GLU 62 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1tuz s VAL 63 N -1.87 2.67 -1.55 3.84 -7.23 0.12 -4.94 120.40 111.43 1tuz s VAL 63 Ca 0.00 0.22 0.18 0.00 -1.81 0.00 0.00 61.98 60.57 1tuz s VAL 63 Cb 0.00 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1tuz s VAL 63 CO 0.00 -0.28 0.91 0.47 -0.31 0.00 0.00 175.10 175.89 1tuz n ASP 64 N -3.39 1.63 -3.24 4.85 8.00 -1.26 -4.71 116.55 118.43 1tuz n ASP 64 Ca 0.07 -1.32 0.03 0.00 0.71 0.00 0.00 54.79 54.29 1tuz n ASP 64 Cb 0.58 0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.19 -0.28 0.03 -2.24 4.22 -1.26 -5.14 114.94 108.07 1tuz s ASN 65 Ca 0.14 0.33 0.00 0.00 -2.14 0.00 0.00 52.86 51.19 1tuz s ASN 65 Cb 0.15 1.30 -0.04 0.00 1.28 0.00 0.00 41.25 43.94 1tuz s ASN 65 CO 0.50 -0.05 0.12 0.54 -2.04 0.00 0.00 177.10 176.17 1tuz s VAL 66 N 2.39 4.89 -0.06 3.54 0.11 -1.26 -5.07 120.40 124.94 1tuz s VAL 66 Ca -0.02 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1tuz s VAL 66 Cb -0.04 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1tuz s VAL 66 CO -0.15 0.25 1.23 -2.16 -3.33 0.00 0.00 175.10 170.93 1tuz s PRO 67 N -2.08 4.33 0.44 1.54 0.04 -1.26 -4.91 135.00 133.10 1tuz s PRO 67 Ca 0.27 1.70 0.11 0.00 0.04 0.00 0.00 61.00 63.12 1tuz s PRO 67 Cb -0.12 -3.58 0.99 0.00 0.04 0.00 0.00 34.50 31.83 1tuz s PRO 67 CO 0.19 -0.49 2.07 -0.09 0.04 0.00 0.00 177.00 178.72 1tuz h ARG 68 N 7.58 0.38 -0.77 4.56 2.43 -1.97 -1.24 114.38 125.35 1tuz h ARG 68 Ca -0.34 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1tuz h ARG 68 Cb 1.16 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 1tuz h ARG 68 CO 0.89 0.25 0.37 1.25 -1.51 0.00 0.00 179.97 181.22 1tuz h HIS 69 N 0.39 0.64 -0.02 2.20 2.76 -1.99 0.87 115.15 120.00 1tuz h HIS 69 Ca 0.13 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1tuz h HIS 69 Cb 0.05 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1tuz h HIS 69 CO -0.00 0.17 -0.12 1.25 -1.30 0.00 0.00 177.93 177.93 1tuz h LEU 70 N 0.57 0.14 -2.30 0.26 5.85 -1.66 -2.62 115.31 115.55 1tuz h LEU 70 Ca 0.40 -0.67 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1tuz h LEU 70 Cb 0.53 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1tuz h LEU 70 CO -0.34 0.79 0.19 -1.28 -0.34 0.00 0.00 178.44 177.46 1tuz h SER 71 N -0.49 0.00 -0.00 1.25 0.87 -0.45 1.55 113.55 116.28 1tuz h SER 71 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1tuz h SER 71 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1tuz h SER 71 CO 0.02 0.00 -0.08 0.25 -0.53 0.00 0.00 176.83 176.49 1tuz h LEU 72 N 0.00 0.08 -0.56 2.23 5.85 0.88 -2.92 115.31 120.87 1tuz h LEU 72 Ca 0.06 -0.75 -0.16 0.00 0.84 0.00 0.00 57.88 57.87 1tuz h LEU 72 Cb 0.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1tuz h LEU 72 CO -0.00 0.82 -0.66 0.00 -0.34 0.00 0.00 178.44 178.26 1tuz h ALA 73 N 0.26 0.76 -0.29 1.25 0.00 -0.74 -0.83 119.26 119.68 1tuz h ALA 73 Ca -0.01 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.38 1tuz h ALA 73 Cb 0.83 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1tuz h ALA 73 CO 0.02 0.77 -0.12 -0.07 0.00 0.00 0.00 179.25 179.84 1tuz h LEU 74 N 0.18 -0.41 -0.10 0.00 3.38 0.21 1.18 115.31 119.74 1tuz h LEU 74 Ca -0.01 0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1tuz h LEU 74 Cb 1.20 0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.19 1tuz h LEU 74 CO 0.10 -0.15 -0.75 0.15 0.09 0.00 0.00 178.44 177.88 1tuz h PHE 75 N -0.07 0.94 0.00 1.13 3.04 -1.47 -3.04 116.94 117.47 1tuz h PHE 75 Ca 0.15 -0.44 -0.01 0.00 3.98 0.00 0.00 57.97 61.64 1tuz h PHE 75 Cb 0.30 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1tuz h PHE 75 CO -0.32 1.26 -0.07 1.96 -2.02 0.00 0.00 178.31 179.13 1tuz h GLN 76 N 0.36 0.00 -0.09 1.11 4.20 -0.59 -0.39 115.11 119.70 1tuz h GLN 76 Ca -0.06 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 1tuz h GLN 76 Cb 1.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1tuz h GLN 76 CO 0.15 0.07 -0.74 0.66 -0.67 0.00 0.00 178.83 178.30 1tuz h SER 77 N 0.00 0.57 0.00 1.46 4.64 0.15 -3.41 113.55 116.96 1tuz h SER 77 Ca -0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1tuz h SER 77 Cb 0.20 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1tuz h SER 77 CO 0.01 1.12 0.00 0.49 -0.87 0.00 0.00 176.83 177.58 1tuz n PHE 78 N -3.86 0.00 -3.19 4.77 3.72 -0.49 -2.97 117.46 115.44 1tuz n PHE 78 Ca -0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.19 1tuz n PHE 78 Cb 0.71 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.27 1tuz n PHE 78 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1tuz n GLU 79 N -0.44 -1.72 0.00 -1.08 2.13 -0.28 -4.89 120.64 114.37 1tuz n GLU 79 Ca 0.00 1.54 0.00 0.00 0.66 0.00 0.00 57.16 59.36 1tuz n GLU 79 Cb 0.00 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 28.90 1tuz n GLU 79 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1tuz n THR 80 N 0.39 0.00 -0.02 6.31 5.66 -1.26 -4.96 114.28 120.39 1tuz n THR 80 Ca -0.01 0.66 0.00 0.00 -3.05 0.00 0.00 64.05 61.65 1tuz n THR 80 Cb 0.49 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.10 1tuz n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tuz n GLY 81 N -0.32 -2.93 3.25 1.09 0.00 -1.26 -4.67 105.19 100.35 1tuz n GLY 81 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 1tuz n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tuz s HIS 82 N -2.79 -0.36 0.39 1.61 3.76 -1.26 -4.90 115.29 111.74 1tuz s HIS 82 Ca 0.00 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1tuz s HIS 82 Cb 0.00 0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.82 1tuz s HIS 82 CO 0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 174.74 173.65 1tuz n LEU 84 N -0.44 5.86 -2.81 0.00 7.99 -1.26 -4.69 117.00 121.64 1tuz n LEU 84 Ca 0.00 -3.89 -0.01 0.00 -0.01 0.00 0.00 56.01 52.10 1tuz n LEU 84 Cb 0.00 -0.75 0.01 0.00 -0.11 0.00 0.00 43.42 42.57 1tuz n LEU 84 CO 0.00 1.29 0.35 0.54 -1.51 0.00 0.00 177.39 178.06 1tuz s ASN 85 N -2.02 -0.71 0.00 -1.43 2.20 -1.26 -5.15 114.94 106.56 1tuz s ASN 85 Ca 0.54 -0.60 0.00 0.00 -0.94 0.00 0.00 52.86 51.86 1tuz s ASN 85 Cb 0.45 0.92 0.00 0.00 -2.00 0.00 0.00 41.25 40.63 1tuz s ASN 85 CO 0.04 -0.05 0.00 1.21 -2.94 0.00 0.00 177.10 175.36 1tuz n GLU 86 N 3.34 0.00 -2.40 3.55 2.13 -1.26 -5.06 120.64 120.94 1tuz n GLU 86 Ca 0.10 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.51 1tuz n GLU 86 Cb 0.61 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.33 1tuz n GLU 86 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1tuz n THR 87 N -0.01 5.08 -2.86 6.31 -2.24 -1.26 -4.53 114.28 114.78 1tuz n THR 87 Ca 0.00 -4.90 -0.11 0.00 -2.27 0.00 0.00 64.05 56.77 1tuz n THR 87 Cb 0.00 -2.10 0.06 0.00 -2.10 0.00 0.00 70.33 66.19 1tuz n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1tuz n ASN 88 N 2.13 -1.27 -1.94 3.42 5.15 -1.26 -4.95 115.26 116.54 1tuz n ASN 88 Ca 0.45 -3.38 -0.23 0.00 -0.60 0.00 0.00 54.58 50.82 1tuz n ASN 88 Cb 0.30 1.05 0.06 0.00 -0.53 0.00 0.00 39.78 40.66 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 0.25 2.75 1.03 3.44 0.31 -1.26 -4.57 118.33 120.27 1tuz n VAL 89 Ca 0.11 -3.77 0.12 0.00 -0.01 0.00 0.00 64.34 60.79 1tuz n VAL 89 Cb 0.70 -1.02 0.22 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.81 0.00 -2.32 2.52 5.66 -1.26 -4.65 114.28 113.41 1tuz n THR 90 Ca 0.46 -0.02 -0.36 0.00 -3.05 0.00 0.00 64.05 61.08 1tuz n THR 90 Cb 0.90 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 70.01 1tuz n THR 90 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1tuz n LYS 91 N -1.39 2.44 -2.24 1.09 5.02 -1.26 -4.87 118.16 116.95 1tuz n LYS 91 Ca 0.06 -2.89 -0.33 0.00 -2.02 0.00 0.00 58.31 53.14 1tuz n LYS 91 Cb 0.34 -3.60 -0.04 0.00 -0.02 0.00 0.00 35.03 31.71 1tuz n LYS 91 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tuz s ASP 92 N 5.26 5.64 0.19 4.39 1.01 -1.26 -4.86 116.67 127.03 1tuz s ASP 92 Ca 0.61 -1.48 -0.03 0.00 0.71 0.00 0.00 52.55 52.36 1tuz s ASP 92 Cb 0.02 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1tuz s ASP 92 CO 0.10 -2.36 0.17 0.68 0.21 0.00 0.00 175.17 173.97 1tuz s VAL 93 N 8.47 0.03 0.02 -1.27 -7.23 -1.26 -4.18 120.40 114.98 1tuz s VAL 93 Ca 0.62 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.82 1tuz s VAL 93 Cb -0.02 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1tuz s VAL 93 CO 0.04 -0.13 0.26 -0.69 -0.31 0.00 0.00 175.10 174.27 1tuz s VAL 94 N -4.10 0.08 0.14 1.32 1.01 0.50 -4.38 120.40 114.97 1tuz s VAL 94 Ca 0.32 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1tuz s VAL 94 Cb 0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.60 1tuz s VAL 94 CO 0.08 -0.36 1.12 0.00 0.00 0.00 0.00 175.10 175.94 1tuz h LEU 96 N 5.66 0.47 -1.51 0.00 3.38 -1.92 -2.77 115.31 118.61 1tuz h LEU 96 Ca -0.43 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 56.58 1tuz h LEU 96 Cb 1.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1tuz h LEU 96 CO 0.75 1.43 0.16 0.78 0.09 0.00 0.00 178.44 181.65 1tuz h ASN 97 N -0.36 0.44 -0.41 -0.43 2.35 -1.92 0.45 115.58 115.70 1tuz h ASN 97 Ca -0.17 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.44 1tuz h ASN 97 Cb 1.67 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 1tuz h ASN 97 CO 0.14 0.38 -0.19 -0.78 -1.65 0.00 0.00 177.43 175.33 1tuz h ASP 98 N 0.49 0.87 0.71 5.81 1.82 -1.97 -1.54 116.42 122.62 1tuz h ASP 98 Ca 0.13 -0.40 -0.10 0.00 -0.39 0.00 0.00 57.03 56.26 1tuz h ASP 98 Cb 0.06 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1tuz h ASP 98 CO -0.02 1.08 -0.48 0.58 -1.61 0.00 0.00 179.24 178.79 1tuz h VAL 99 N 0.66 1.15 0.00 2.25 2.07 -0.98 -2.33 116.25 119.07 1tuz h VAL 99 Ca 0.09 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 65.76 1tuz h VAL 99 Cb 0.75 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1tuz h VAL 99 CO 0.06 0.47 -0.39 -1.28 0.02 0.00 0.00 177.57 176.44 1tuz h SER 100 N 0.00 0.00 0.00 0.57 0.87 0.22 0.05 113.55 115.26 1tuz h SER 100 Ca -0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1tuz h SER 100 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1tuz h SER 100 CO 0.06 0.39 -0.21 0.00 -0.53 0.00 0.00 176.83 176.55 1tuz h TYR 102 N -0.59 -0.42 -0.46 0.00 3.20 -1.35 -2.53 116.97 114.84 1tuz h TYR 102 Ca -0.03 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1tuz h TYR 102 Cb 0.99 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1tuz h TYR 102 CO 0.19 -0.21 0.30 0.74 -1.64 0.00 0.00 178.16 177.54 1tuz h PHE 103 N -0.53 0.48 -0.81 -3.82 0.04 -1.10 -0.71 116.94 110.49 1tuz h PHE 103 Ca -0.05 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1tuz h PHE 103 Cb 0.39 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 1tuz h PHE 103 CO -0.03 0.28 0.53 1.03 -0.60 0.00 0.00 178.31 179.52 1tuz h SER 104 N 0.50 0.91 0.04 2.17 0.87 -0.97 0.10 113.55 117.16 1tuz h SER 104 Ca 0.18 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1tuz h SER 104 Cb 0.12 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1tuz h SER 104 CO -0.05 0.65 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.81 1tuz h LEU 105 N 1.07 -0.05 -0.01 2.23 -0.00 -0.75 -0.47 115.31 117.33 1tuz h LEU 105 Ca 0.30 -0.51 0.01 0.00 -0.00 0.00 0.00 57.88 57.68 1tuz h LEU 105 Cb -0.08 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 1tuz h LEU 105 CO -0.07 0.51 -0.18 -0.07 -0.00 0.00 0.00 178.44 178.62 1tuz h LEU 106 N -0.62 -0.56 -0.96 1.67 4.07 -0.96 0.21 115.31 118.16 1tuz h LEU 106 Ca -0.01 0.06 0.17 0.00 0.08 0.00 0.00 57.88 58.19 1tuz h LEU 106 Cb 0.56 0.21 -0.10 0.00 1.08 0.00 0.00 40.66 42.41 1tuz h LEU 106 CO 0.01 -0.17 0.56 -0.08 -1.08 0.00 0.00 178.44 177.68 1tuz h GLU 107 N -0.22 0.72 0.00 1.13 4.22 -1.10 -2.89 114.58 116.44 1tuz h GLU 107 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1tuz h GLU 107 Cb 0.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1tuz h GLU 107 CO -0.12 0.48 0.00 0.41 -2.18 0.00 0.00 179.01 177.60 1tuz n GLY 108 N -1.33 -2.80 0.00 1.92 0.00 -0.19 -4.90 105.19 97.90 1tuz n GLY 108 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.90 -1.83 3.11 -0.02 0.00 0.61 -5.07 105.19 101.07 1tuz n GLY 109 Ca 0.00 0.83 -0.36 0.00 0.00 0.00 0.00 46.02 46.49 1tuz n GLY 109 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tuz s ARG 110 N 0.00 2.25 0.98 1.61 3.00 -1.18 -4.98 118.95 120.63 1tuz s ARG 110 Ca 0.00 -2.14 -0.14 0.00 -1.00 0.00 0.00 55.73 52.44 1tuz s ARG 110 Cb 0.00 -3.65 0.18 0.00 0.00 0.00 0.00 34.95 31.48 1tuz s ARG 110 CO 0.00 -1.12 1.17 -1.25 0.00 0.00 0.00 175.30 174.10 1tuz s PRO 111 N 0.60 0.54 0.00 5.12 0.04 -1.26 -4.93 135.00 135.11 1tuz s PRO 111 Ca 0.12 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1tuz s PRO 111 Cb -0.22 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1tuz s PRO 111 CO -0.04 -2.56 0.00 -1.91 0.04 0.00 0.00 177.00 172.53 1tuz n GLU 112 N -3.97 0.00 -3.40 4.56 4.07 -1.26 -5.09 120.64 115.56 1tuz n GLU 112 Ca 0.10 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.04 1tuz n GLU 112 Cb 0.59 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.88 1tuz n GLU 112 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1tuz s ASP 113 N -0.76 1.32 0.00 4.31 1.01 -1.26 -4.97 116.67 116.32 1tuz s ASP 113 Ca 0.00 -0.53 0.17 0.00 0.71 0.00 0.00 52.55 52.90 1tuz s ASP 113 Cb 0.00 0.63 0.89 0.00 1.01 0.00 0.00 42.92 45.45 1tuz s ASP 113 CO 0.00 -0.37 1.59 0.29 0.21 0.00 0.00 175.17 176.89 1tuz n LYS 114 N 5.32 1.20 -0.70 8.23 4.76 -1.26 -4.89 118.16 130.83 1tuz n LYS 114 Ca -0.02 -0.30 -0.30 0.00 -2.87 0.00 0.00 58.31 54.81 1tuz n LYS 114 Cb 0.48 -1.29 0.14 0.00 -1.84 0.00 0.00 35.03 32.52 1tuz n LYS 114 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1tuz n LEU 115 N -0.45 -2.27 -3.95 -0.35 4.77 -1.26 -5.02 117.00 108.47 1tuz n LEU 115 Ca 0.13 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1tuz n LEU 115 Cb 0.13 -0.83 -0.13 0.00 -2.33 0.00 0.00 43.42 40.26 1tuz n LEU 115 CO 0.10 -2.99 -0.37 -1.61 -1.33 0.00 0.00 177.39 171.18 1tuz s GLU 116 N -3.19 0.24 0.00 3.23 0.41 -1.26 -5.11 118.70 113.01 1tuz s GLU 116 Ca 0.48 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1tuz s GLU 116 Cb -0.06 -0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.24 1tuz s GLU 116 CO 0.59 0.00 0.00 0.91 -0.49 0.00 0.00 175.26 176.27 1tuz n TRP 117 N 2.29 0.00 -0.68 1.61 7.02 -1.26 -5.31 117.44 121.11 1tuz n TRP 117 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1tuz n TRP 117 Cb 0.57 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.46 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12