#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 -1.01 -2.00 3.17 0.00 -1.26 -4.40 120.51 115.01 1tuz n ALA 2 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1tuz n ALA 2 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.86 0.00 -1.64 0.00 4.81 -1.26 -4.45 118.16 112.75 1tuz n LYS 3 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1tuz n LYS 3 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1tuz n LYS 3 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1tuz n GLU 4 N 0.00 0.00 -1.68 1.64 2.13 -1.26 -5.12 120.64 116.35 1tuz n GLU 4 Ca 0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 1tuz n GLU 4 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1tuz n GLU 4 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1tuz n ARG 5 N 0.00 2.37 -1.15 5.31 1.74 -1.26 -4.22 116.66 119.45 1tuz n ARG 5 Ca 0.00 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1tuz n ARG 5 Cb 0.00 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.75 1tuz n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tuz n GLY 6 N 3.93 -2.21 0.00 -0.13 0.00 -1.26 -5.13 105.19 100.39 1tuz n GLY 6 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1tuz n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tuz n LEU 7 N 0.00 0.00 -4.50 0.99 4.32 -1.26 -5.03 117.00 111.51 1tuz n LEU 7 Ca 0.00 0.00 -0.61 0.00 -0.02 0.00 0.00 56.01 55.38 1tuz n LEU 7 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1tuz n LEU 7 CO 0.00 0.00 1.50 2.30 -1.22 0.00 0.00 177.39 179.97 1tuz n ILE 8 N 0.00 0.08 -0.52 -0.08 -5.35 -1.26 -4.86 119.36 107.36 1tuz n ILE 8 Ca 0.00 -0.05 -0.18 0.00 -0.27 0.00 0.00 62.75 62.26 1tuz n ILE 8 Cb 0.00 -0.78 0.15 0.00 -1.74 0.00 0.00 39.64 37.26 1tuz n ILE 8 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1tuz n SER 9 N 6.44 -3.02 0.00 7.28 2.88 -1.26 -4.59 113.62 121.35 1tuz n SER 9 Ca 0.41 -0.39 0.12 0.00 -1.33 0.00 0.00 58.87 57.68 1tuz n SER 9 Cb 0.02 -0.77 0.66 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.59 -0.00 -1.46 -0.04 -1.26 -2.65 135.00 128.40 1tuz n PRO 10 Ca 0.06 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1tuz n PRO 10 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.30 -0.06 3.54 0.02 -1.98 -0.87 113.55 114.50 1tuz h SER 11 Ca 0.00 -0.92 -0.25 0.00 -0.84 0.00 0.00 61.79 59.78 1tuz h SER 11 Cb 0.08 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.54 1tuz h SER 11 CO 0.00 1.20 -0.94 0.44 -1.14 0.00 0.00 176.83 176.39 1tuz h ASP 12 N -0.55 0.93 -0.26 3.07 5.19 -1.85 -2.39 116.42 120.57 1tuz h ASP 12 Ca -0.08 -0.70 -0.04 0.00 -0.62 0.00 0.00 57.03 55.60 1tuz h ASP 12 Cb 1.33 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1tuz h ASP 12 CO 0.09 1.49 0.02 0.15 -3.12 0.00 0.00 179.24 177.88 1tuz h PHE 13 N 0.45 0.47 -0.71 4.55 3.04 -1.63 0.23 116.94 123.34 1tuz h PHE 13 Ca -0.10 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.80 1tuz h PHE 13 Cb 1.59 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.93 1tuz h PHE 13 CO 0.10 0.57 0.46 0.00 -2.02 0.00 0.00 178.31 177.42 1tuz h ALA 14 N 0.84 0.92 0.03 2.41 0.00 -1.21 1.23 119.26 123.49 1tuz h ALA 14 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tuz h ALA 14 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1tuz h ALA 14 CO 0.01 0.27 -0.02 0.37 0.00 0.00 0.00 179.25 179.88 1tuz h GLN 15 N 0.92 -0.04 -0.53 0.00 5.75 -1.24 0.53 115.11 120.49 1tuz h GLN 15 Ca 0.28 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.74 1tuz h GLN 15 Cb -0.04 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1tuz h GLN 15 CO -0.09 0.11 0.19 -0.07 -2.65 0.00 0.00 178.83 176.32 1tuz h LEU 16 N -0.19 0.75 -1.28 -2.39 3.38 -0.54 0.29 115.31 115.32 1tuz h LEU 16 Ca -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1tuz h LEU 16 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1tuz h LEU 16 CO 0.01 0.74 0.02 -0.61 0.09 0.00 0.00 178.44 178.69 1tuz h GLN 17 N 0.72 0.51 -0.12 1.13 4.15 0.17 1.32 115.11 122.99 1tuz h GLN 17 Ca 0.17 -0.10 -0.17 0.00 0.77 0.00 0.00 58.65 59.33 1tuz h GLN 17 Cb 0.24 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.86 1tuz h GLN 17 CO -0.01 0.52 -0.58 -0.22 -1.93 0.00 0.00 178.83 176.60 1tuz h LYS 18 N 0.49 0.61 0.14 1.69 3.11 0.67 -1.43 116.57 121.85 1tuz h LYS 18 Ca 0.11 -0.49 -0.01 0.00 -2.81 0.00 0.00 60.65 57.45 1tuz h LYS 18 Cb 0.29 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1tuz h LYS 18 CO 0.01 1.12 -0.07 1.88 -2.81 0.00 0.00 179.45 179.57 1tuz h TYR 19 N 0.26 -0.18 0.00 1.91 0.05 0.01 -3.13 116.97 115.89 1tuz h TYR 19 Ca -0.04 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1tuz h TYR 19 Cb 1.22 0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.02 1tuz h TYR 19 CO 0.10 0.28 -0.00 0.00 -1.05 0.00 0.00 178.16 177.49 1tuz h MET 20 N -0.79 0.00 0.14 4.88 -0.00 0.16 -2.49 114.93 116.82 1tuz h MET 20 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1tuz h MET 20 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 1tuz h MET 20 CO 0.03 0.00 -0.20 0.93 -0.00 0.00 0.00 176.91 177.67 1tuz h GLU 21 N 0.00 -0.39 0.00 -0.10 4.39 -1.20 -0.97 114.58 116.32 1tuz h GLU 21 Ca -0.00 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1tuz h GLU 21 Cb 0.03 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1tuz h GLU 21 CO 0.00 -0.26 -0.06 -0.92 -1.16 0.00 0.00 179.01 176.62 1tuz h TYR 22 N -0.40 0.00 -3.49 4.33 5.03 -1.53 -3.40 116.97 117.51 1tuz h TYR 22 Ca 0.02 0.00 -0.61 0.00 2.58 0.00 0.00 58.73 60.71 1tuz h TYR 22 Cb 0.41 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.57 1tuz h TYR 22 CO -0.18 0.06 0.19 -1.12 -1.32 0.00 0.00 178.16 175.79 1tuz s SER 23 N -5.82 6.55 -0.07 -2.11 0.01 -0.37 -4.89 113.70 107.01 1tuz s SER 23 Ca -0.03 0.57 0.10 0.00 1.31 0.00 0.00 55.95 57.90 1tuz s SER 23 Cb 0.13 -2.34 0.19 0.00 0.21 0.00 0.00 66.02 64.20 1tuz s SER 23 CO 0.53 -0.46 1.12 1.07 0.41 0.00 0.00 173.24 175.91 1tuz n THR 24 N 5.34 1.46 -1.41 1.44 5.66 -1.26 -4.87 114.28 120.64 1tuz n THR 24 Ca -0.00 -1.57 -0.27 0.00 -3.05 0.00 0.00 64.05 59.15 1tuz n THR 24 Cb 0.49 0.15 0.21 0.00 -1.55 0.00 0.00 70.33 69.62 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 -0.78 -2.11 -4.19 1.09 4.76 -1.26 -5.05 118.16 110.61 1tuz n LYS 25 Ca 0.09 -1.73 -0.34 0.00 -2.87 0.00 0.00 58.31 53.46 1tuz n LYS 25 Cb 0.47 -1.38 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 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 -5.46 3.04 0.34 1.97 -0.14 -1.26 -4.99 119.74 113.24 1tuz s LYS 26 Ca 0.67 -0.44 0.16 0.00 -1.36 0.00 0.00 55.97 55.00 1tuz s LYS 26 Cb -0.04 -2.85 0.55 0.00 -1.68 0.00 0.00 37.83 33.81 1tuz s LYS 26 CO 0.49 0.68 1.68 -0.24 -0.76 0.00 0.00 175.35 177.20 1tuz h VAL 27 N 3.65 1.04 0.00 3.17 3.04 -1.96 -2.54 116.25 122.64 1tuz h VAL 27 Ca -0.50 -1.75 -0.02 0.00 -1.01 0.00 0.00 66.70 63.41 1tuz h VAL 27 Cb 1.19 2.03 -0.00 0.00 -2.01 0.00 0.00 31.29 32.49 1tuz h VAL 27 CO 0.58 0.45 -0.11 0.77 -1.01 0.00 0.00 177.57 178.25 1tuz h SER 28 N 0.00 0.00 -0.04 3.17 4.64 -1.96 -0.80 113.55 118.57 1tuz h SER 28 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1tuz h SER 28 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1tuz h SER 28 CO 0.06 0.11 -0.16 -0.78 -0.87 0.00 0.00 176.83 175.19 1tuz h ASP 29 N 0.00 0.20 0.32 4.97 3.58 -1.87 -2.71 116.42 120.92 1tuz h ASP 29 Ca -0.00 -0.65 -0.07 0.00 0.42 0.00 0.00 57.03 56.72 1tuz h ASP 29 Cb 0.49 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1tuz h ASP 29 CO 0.01 0.82 -0.34 0.58 -2.88 0.00 0.00 179.24 177.43 1tuz h VAL 30 N -0.41 1.25 0.23 2.25 2.07 -1.50 -2.66 116.25 117.49 1tuz h VAL 30 Ca -0.01 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1tuz h VAL 30 Cb 0.81 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1tuz h VAL 30 CO 0.03 0.35 -0.14 0.25 0.02 0.00 0.00 177.57 178.08 1tuz h LEU 31 N 0.03 -0.34 -2.01 2.57 5.85 -1.10 -0.96 115.31 119.34 1tuz h LEU 31 Ca 0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1tuz h LEU 31 Cb 0.62 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1tuz h LEU 31 CO 0.05 -0.22 0.13 0.11 -0.34 0.00 0.00 178.44 178.16 1tuz h LYS 32 N -0.35 0.00 -0.20 1.25 1.57 -1.26 0.23 116.57 117.81 1tuz h LYS 32 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1tuz h LYS 32 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1tuz h LYS 32 CO 0.03 0.00 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.65 1tuz h LEU 33 N 0.00 0.34 -0.01 2.94 3.38 -0.87 1.23 115.31 122.32 1tuz h LEU 33 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1tuz h LEU 33 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1tuz h LEU 33 CO -0.00 0.55 0.00 0.49 0.09 0.00 0.00 178.44 179.56 1tuz n PHE 34 N -4.19 0.13 -0.10 1.13 3.01 0.78 0.95 117.46 119.16 1tuz n PHE 34 Ca -0.00 0.04 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 1tuz n PHE 34 Cb 0.33 -0.56 -0.08 0.00 -0.01 0.00 0.00 39.48 39.16 1tuz n PHE 34 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1tuz n GLU 35 N -1.61 0.48 -0.03 -1.08 0.28 -0.47 -3.43 120.64 114.78 1tuz n GLU 35 Ca 0.07 0.16 -0.04 0.00 -0.16 0.00 0.00 57.16 57.19 1tuz n GLU 35 Cb 0.34 -1.33 -0.04 0.00 1.43 0.00 0.00 31.44 31.84 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 -3.54 3.50 -3.06 -1.84 2.03 0.41 -4.79 116.55 109.26 1tuz n ASP 36 Ca -0.39 -0.02 -0.03 0.00 0.52 0.00 0.00 54.79 54.87 1tuz n ASP 36 Cb 0.84 0.29 0.03 0.00 -0.72 0.00 0.00 41.12 41.56 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tuz n GLY 37 N 2.88 -2.42 0.10 0.27 0.00 0.27 -4.78 105.19 101.50 1tuz n GLY 37 Ca -0.11 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 0.05 0.00 1.61 4.39 -1.91 -2.98 114.58 115.74 1tuz h GLU 38 Ca -0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1tuz h GLU 38 Cb 0.12 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1tuz h GLU 38 CO 0.02 0.86 0.00 -0.12 -1.16 0.00 0.00 179.01 178.62 1tuz n MET 39 N -3.58 0.02 0.00 2.33 1.56 -1.19 -1.10 117.12 115.15 1tuz n MET 39 Ca -0.01 0.36 0.12 0.00 -0.27 0.00 0.00 57.70 57.89 1tuz n MET 39 Cb 0.80 -1.50 0.68 0.00 2.15 0.00 0.00 33.22 35.35 1tuz n MET 39 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1tuz n ALA 40 N -1.45 2.34 0.12 -5.12 0.00 -1.13 -2.06 120.51 113.21 1tuz n ALA 40 Ca 0.02 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1tuz n ALA 40 Cb 0.07 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.47 0.00 2.10 -1.34 -3.30 116.57 113.56 1tuz h LYS 41 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1tuz h LYS 41 Cb 0.09 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.33 1tuz h LYS 41 CO 0.00 0.01 0.09 0.66 -2.00 0.00 0.00 179.45 178.21 1tuz n TYR 42 N -2.75 1.54 -4.34 0.07 4.01 -0.88 -4.95 117.16 109.86 1tuz n TYR 42 Ca 0.00 -1.26 -0.34 0.00 -0.16 0.00 0.00 57.90 56.14 1tuz n TYR 42 Cb 0.55 -0.52 -0.11 0.00 -0.31 0.00 0.00 39.34 38.95 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 -3.04 4.07 -0.09 -0.72 1.01 -1.24 -4.10 120.40 116.30 1tuz s VAL 43 Ca 0.47 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1tuz s VAL 43 Cb 0.40 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1tuz s VAL 43 CO 0.07 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 1tuz s GLN 44 N 0.24 2.63 -1.46 2.72 0.00 0.10 -4.66 119.66 119.22 1tuz s GLN 44 Ca -0.01 -0.74 0.00 0.00 -0.00 0.00 0.00 55.36 54.61 1tuz s GLN 44 Cb -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 33.01 30.85 1tuz s GLN 44 CO 0.02 0.14 0.00 0.41 0.00 0.00 0.00 175.29 175.86 1tuz n GLY 45 N 3.60 0.67 2.57 2.60 0.00 -1.26 0.18 105.19 113.55 1tuz n GLY 45 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1tuz n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tuz n ASP 46 N -1.15 0.00 -4.93 1.61 2.03 -1.26 -5.01 116.55 107.84 1tuz n ASP 46 Ca -0.16 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.89 1tuz n ASP 46 Cb 0.55 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tuz s ALA 47 N -3.28 3.82 0.30 -1.67 0.00 0.49 -4.44 121.76 116.98 1tuz s ALA 47 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1tuz s ALA 47 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1tuz s ALA 47 CO 0.00 0.37 0.47 0.96 0.00 0.00 0.00 175.76 177.56 1tuz s ILE 48 N -1.93 5.17 0.07 0.00 -4.36 0.00 0.01 121.20 120.16 1tuz s ILE 48 Ca 0.38 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1tuz s ILE 48 Cb -0.11 -3.86 0.00 0.00 1.25 0.00 0.00 42.46 39.75 1tuz s ILE 48 CO 0.30 -0.47 0.04 0.61 0.24 0.00 0.00 174.94 175.66 1tuz n GLY 49 N -1.63 3.23 0.42 6.27 0.00 -1.26 -1.52 105.19 110.71 1tuz n GLY 49 Ca -0.06 -2.19 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 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 0.62 -1.12 -0.73 1.61 3.20 -1.95 0.30 116.97 118.91 1tuz h TYR 50 Ca -0.05 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1tuz h TYR 50 Cb 0.16 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1tuz h TYR 50 CO 0.00 -0.56 0.22 0.93 -1.64 0.00 0.00 178.16 177.11 1tuz h GLU 51 N -0.83 1.14 0.00 1.82 5.08 -1.96 -1.75 114.58 118.07 1tuz h GLU 51 Ca -0.04 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1tuz h GLU 51 Cb 0.74 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1tuz h GLU 51 CO -0.07 0.97 -0.06 0.78 -1.00 0.00 0.00 179.01 179.64 1tuz h GLY 52 N 1.11 0.00 0.19 -3.84 0.00 -1.74 0.36 103.07 99.16 1tuz h GLY 52 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1tuz h GLY 52 CO -0.01 0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.71 1tuz h PHE 53 N 0.00 -0.20 0.00 5.60 3.04 0.48 -3.08 116.94 122.78 1tuz h PHE 53 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1tuz h PHE 53 Cb 0.17 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1tuz h PHE 53 CO 0.00 0.03 -0.20 -0.56 -2.02 0.00 0.00 178.31 175.56 1tuz h GLN 54 N -1.02 0.00 -0.22 1.11 -0.00 -1.30 -1.79 115.11 111.90 1tuz h GLN 54 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 1tuz h GLN 54 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.78 1tuz h GLN 54 CO 0.04 0.20 -0.02 1.96 -0.00 0.00 0.00 178.83 181.01 1tuz h GLN 55 N 0.00 0.32 -0.21 0.06 1.08 -0.36 -2.62 115.11 113.38 1tuz h GLN 55 Ca -0.00 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1tuz h GLN 55 Cb 0.38 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1tuz h GLN 55 CO 0.03 0.37 0.05 0.35 -0.95 0.00 0.00 178.83 178.68 1tuz h PHE 56 N 0.32 0.35 -0.12 2.96 3.04 -1.22 -1.90 116.94 120.36 1tuz h PHE 56 Ca 0.07 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1tuz h PHE 56 Cb 0.24 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1tuz h PHE 56 CO 0.01 0.44 0.30 -0.07 -2.02 0.00 0.00 178.31 176.97 1tuz h LEU 57 N 0.15 0.00 0.55 0.59 4.07 -1.47 1.50 115.31 120.70 1tuz h LEU 57 Ca 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 1tuz h LEU 57 Cb 0.27 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1tuz h LEU 57 CO 0.00 0.00 -0.26 0.50 -1.08 0.00 0.00 178.44 177.60 1tuz h LYS 58 N 0.00 -0.71 -0.03 1.13 3.64 -1.26 -2.22 116.57 117.11 1tuz h LYS 58 Ca 0.06 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1tuz h LYS 58 Cb 0.66 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1tuz h LYS 58 CO -0.00 -0.44 -0.15 0.82 -2.27 0.00 0.00 179.45 177.41 1tuz h ILE 59 N -1.15 1.48 -0.06 2.00 2.04 -1.12 0.76 117.51 121.46 1tuz h ILE 59 Ca -0.08 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.17 1tuz h ILE 59 Cb 0.60 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1tuz h ILE 59 CO 0.12 0.44 -0.05 0.22 0.00 0.00 0.00 178.15 178.88 1tuz h TYR 60 N -0.41 -0.17 0.00 1.37 3.20 0.19 -1.41 116.97 119.74 1tuz h TYR 60 Ca -0.01 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1tuz h TYR 60 Cb 0.80 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1tuz h TYR 60 CO 0.14 -0.04 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.13 1tuz h LEU 61 N -0.03 0.00 0.00 2.82 3.38 -1.53 -3.46 115.31 116.49 1tuz h LEU 61 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1tuz h LEU 61 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1tuz h LEU 61 CO -0.07 0.42 0.00 1.21 0.09 0.00 0.00 178.44 180.09 1tuz n GLU 62 N -3.42 0.00 -0.98 1.13 0.00 0.25 -4.48 120.64 113.14 1tuz n GLU 62 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 57.16 56.96 1tuz n GLU 62 Cb 0.58 -2.69 0.17 0.00 0.00 0.00 0.00 31.44 29.51 1tuz n GLU 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1tuz s VAL 63 N -2.00 2.37 -1.75 6.31 -7.23 -0.32 -4.90 120.40 112.88 1tuz s VAL 63 Ca 0.00 0.12 0.20 0.00 -1.81 0.00 0.00 61.98 60.49 1tuz s VAL 63 Cb 0.00 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1tuz s VAL 63 CO 0.00 -0.16 0.98 -0.67 -0.31 0.00 0.00 175.10 174.94 1tuz n ASP 64 N -4.21 1.81 -3.24 4.85 2.03 -1.26 -4.67 116.55 111.86 1tuz n ASP 64 Ca 0.07 -1.41 0.03 0.00 0.52 0.00 0.00 54.79 54.00 1tuz n ASP 64 Cb 0.55 0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 41.42 1tuz n ASP 64 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tuz s ASN 65 N -2.28 -0.28 0.03 1.67 4.22 -1.26 -5.13 114.94 111.91 1tuz s ASN 65 Ca 0.16 0.33 -0.00 0.00 -2.14 0.00 0.00 52.86 51.21 1tuz s ASN 65 Cb 0.16 1.30 -0.04 0.00 1.28 0.00 0.00 41.25 43.94 1tuz s ASN 65 CO 0.52 -0.05 0.14 0.54 -2.04 0.00 0.00 177.10 176.20 1tuz s VAL 66 N 2.37 5.02 -0.32 3.54 0.11 -1.26 -5.06 120.40 124.80 1tuz s VAL 66 Ca -0.01 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 1tuz s VAL 66 Cb -0.04 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1tuz s VAL 66 CO -0.15 0.25 1.36 -2.16 -3.33 0.00 0.00 175.10 171.06 1tuz s PRO 67 N -2.10 3.82 0.59 1.54 0.04 -1.26 -4.87 135.00 132.75 1tuz s PRO 67 Ca 0.28 1.21 0.29 0.00 0.04 0.00 0.00 61.00 62.82 1tuz s PRO 67 Cb -0.12 -3.93 1.46 0.00 0.04 0.00 0.00 34.50 31.95 1tuz s PRO 67 CO 0.20 -1.25 1.88 -0.09 0.04 0.00 0.00 177.00 177.78 1tuz h ARG 68 N 9.78 0.00 -0.69 4.56 2.43 -1.98 0.33 114.38 128.80 1tuz h ARG 68 Ca -0.27 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1tuz h ARG 68 Cb 1.10 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 1tuz h ARG 68 CO 1.04 0.00 0.44 0.45 -1.51 0.00 0.00 179.97 180.40 1tuz h HIS 69 N 0.00 0.84 -0.13 2.20 3.86 -2.00 0.13 115.15 120.05 1tuz h HIS 69 Ca 0.24 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 1tuz h HIS 69 Cb 1.28 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1tuz h HIS 69 CO 0.00 0.50 -0.28 1.25 0.86 0.00 0.00 177.93 180.25 1tuz h LEU 70 N 0.88 0.48 -2.14 2.43 5.85 -0.76 -2.77 115.31 119.29 1tuz h LEU 70 Ca 0.27 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1tuz h LEU 70 Cb -0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1tuz h LEU 70 CO -0.09 0.95 0.24 0.28 -0.34 0.00 0.00 178.44 179.48 1tuz h SER 71 N 0.02 0.00 -0.06 1.25 0.02 -0.97 1.33 113.55 115.14 1tuz h SER 71 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1tuz h SER 71 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1tuz h SER 71 CO 0.06 0.00 -0.19 0.25 -1.14 0.00 0.00 176.83 175.81 1tuz h LEU 72 N 0.00 0.28 -0.39 5.07 5.85 -0.53 -2.61 115.31 122.99 1tuz h LEU 72 Ca 0.12 -0.61 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 1tuz h LEU 72 Cb 0.60 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1tuz h LEU 72 CO -0.00 0.84 -0.67 0.00 -0.34 0.00 0.00 178.44 178.27 1tuz h ALA 73 N 0.45 0.57 -0.52 1.25 0.00 -0.77 -3.03 119.26 117.20 1tuz h ALA 73 Ca -0.01 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.43 1tuz h ALA 73 Cb 0.82 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1tuz h ALA 73 CO 0.04 0.72 0.09 -0.07 0.00 0.00 0.00 179.25 180.03 1tuz h LEU 74 N 0.40 -0.04 -0.50 0.00 3.38 0.16 -0.82 115.31 117.89 1tuz h LEU 74 Ca -0.02 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1tuz h LEU 74 Cb 1.24 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 1tuz h LEU 74 CO 0.12 0.00 0.30 0.15 0.09 0.00 0.00 178.44 179.11 1tuz h PHE 75 N 0.22 0.57 -0.77 1.13 3.57 -1.40 -1.23 116.94 119.03 1tuz h PHE 75 Ca 0.27 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.98 1tuz h PHE 75 Cb 0.38 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1tuz h PHE 75 CO -0.25 0.33 0.54 1.96 -2.23 0.00 0.00 178.31 178.66 1tuz h GLN 76 N 0.61 0.16 0.68 1.11 4.20 -1.05 -1.80 115.11 119.01 1tuz h GLN 76 Ca 0.20 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1tuz h GLN 76 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1tuz h GLN 76 CO -0.08 0.11 -0.45 1.03 -0.67 0.00 0.00 178.83 178.77 1tuz h SER 77 N 0.17 -1.15 -4.29 1.46 0.87 -0.52 -3.44 113.55 106.65 1tuz h SER 77 Ca 0.38 0.07 -0.51 0.00 -1.23 0.00 0.00 61.79 60.50 1tuz h SER 77 Cb 1.24 0.34 -0.27 0.00 -0.44 0.00 0.00 62.40 63.28 1tuz h SER 77 CO -0.06 -0.67 -0.82 0.72 -0.53 0.00 0.00 176.83 175.47 1tuz s PHE 78 N -5.61 1.44 0.22 2.24 -0.71 -0.68 -4.36 117.98 110.52 1tuz s PHE 78 Ca -0.17 -0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 55.34 1tuz s PHE 78 Cb 0.03 -0.88 0.02 0.00 -1.21 0.00 0.00 43.02 40.98 1tuz s PHE 78 CO 0.54 0.03 0.39 -1.91 -1.34 0.00 0.00 175.22 172.92 1tuz n GLU 79 N 2.20 0.56 0.00 1.99 2.13 -1.26 -4.64 120.64 121.62 1tuz n GLU 79 Ca -0.16 -1.40 0.00 0.00 0.66 0.00 0.00 57.16 56.26 1tuz n GLU 79 Cb 0.54 1.58 0.00 0.00 0.27 0.00 0.00 31.44 33.83 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 -0.32 0.00 0.00 6.31 5.66 -1.25 -4.91 114.28 119.77 1tuz n THR 80 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1tuz n THR 80 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 -0.06 2.01 0.00 1.09 0.00 -1.26 -4.30 105.19 102.67 1tuz n GLY 81 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1tuz n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1tuz n HIS 82 N 0.00 0.00 -1.47 1.61 8.25 -1.26 -4.85 115.22 117.50 1tuz n HIS 82 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1tuz n HIS 82 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1tuz n HIS 82 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tuz n LEU 84 N -2.04 -1.57 -2.57 0.00 7.99 -1.26 -4.76 117.00 112.79 1tuz n LEU 84 Ca -0.16 -1.08 -0.04 0.00 -0.01 0.00 0.00 56.01 54.72 1tuz n LEU 84 Cb 0.56 -1.98 0.07 0.00 -0.11 0.00 0.00 43.42 41.96 1tuz n LEU 84 CO 0.25 0.30 0.55 -3.20 -1.51 0.00 0.00 177.39 173.77 1tuz n ASN 85 N -2.69 -1.42 -2.43 -1.43 2.85 -0.44 -5.06 115.26 104.63 1tuz n ASN 85 Ca -0.01 -2.03 -0.01 0.00 -0.11 0.00 0.00 54.58 52.42 1tuz n ASN 85 Cb 0.53 0.87 0.00 0.00 1.24 0.00 0.00 39.78 42.43 1tuz n ASN 85 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1tuz n GLU 86 N -0.67 -0.23 -1.17 1.20 0.28 -1.18 -4.78 120.64 114.10 1tuz n GLU 86 Ca -0.13 0.56 -0.27 0.00 -0.16 0.00 0.00 57.16 57.16 1tuz n GLU 86 Cb 0.76 -0.72 0.06 0.00 1.43 0.00 0.00 31.44 32.96 1tuz n GLU 86 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1tuz n THR 87 N 1.01 3.27 -4.43 3.84 -1.04 -1.14 -4.83 114.28 110.96 1tuz n THR 87 Ca -0.00 -2.44 -0.37 0.00 -2.04 0.00 0.00 64.05 59.19 1tuz n THR 87 Cb 0.36 -1.25 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 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 -0.31 -0.72 -2.26 8.00 5.15 -1.26 -4.77 115.26 119.08 1tuz n ASN 88 Ca 0.48 -1.24 -0.32 0.00 -0.60 0.00 0.00 54.58 52.90 1tuz n ASN 88 Cb 0.61 -1.69 0.07 0.00 -0.53 0.00 0.00 39.78 38.24 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 -4.30 3.49 -0.07 3.44 0.31 -1.26 -4.62 118.33 115.32 1tuz n VAL 89 Ca -0.08 -2.73 0.25 0.00 -0.01 0.00 0.00 64.34 61.78 1tuz n VAL 89 Cb 0.56 -1.19 0.72 0.00 -0.91 0.00 0.00 33.84 33.01 1tuz n VAL 89 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1tuz h THR 90 N 1.02 0.43 -3.49 2.52 1.35 -1.96 -2.98 112.91 109.80 1tuz h THR 90 Ca 0.55 0.00 -0.75 0.00 -0.55 0.00 0.00 66.41 65.66 1tuz h THR 90 Cb 0.82 0.55 -0.31 0.00 -1.73 0.00 0.00 68.15 67.47 1tuz h THR 90 CO 1.45 0.00 0.11 -0.54 -0.25 0.00 0.00 175.52 176.29 1tuz s LYS 91 N -4.79 3.60 -0.46 4.72 3.01 -1.26 -5.02 119.74 119.54 1tuz s LYS 91 Ca -0.05 -3.10 -0.44 0.00 -1.01 0.00 0.00 55.97 51.38 1tuz s LYS 91 Cb 0.19 -4.22 -0.18 0.00 -1.01 0.00 0.00 37.83 32.60 1tuz s LYS 91 CO 0.66 -1.25 1.93 -0.25 0.51 0.00 0.00 175.35 176.95 1tuz n ASP 92 N 2.76 1.22 -4.53 2.83 9.92 -1.13 -4.90 116.55 122.72 1tuz n ASP 92 Ca 0.20 0.86 -0.27 0.00 -0.53 0.00 0.00 54.79 55.05 1tuz n ASP 92 Cb 0.39 -0.96 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 1tuz n ASP 92 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1tuz s VAL 93 N 4.90 1.38 0.02 2.53 -7.23 -1.26 -4.10 120.40 116.65 1tuz s VAL 93 Ca 1.12 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 1tuz s VAL 93 Cb -1.39 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 32.87 1tuz s VAL 93 CO 0.69 0.00 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.79 1tuz s VAL 94 N -2.99 0.12 0.35 1.32 1.01 -0.57 -3.92 120.40 115.73 1tuz s VAL 94 Ca 0.27 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 1tuz s VAL 94 Cb 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 1tuz s VAL 94 CO 0.13 -0.55 1.03 0.00 0.00 0.00 0.00 175.10 175.72 1tuz h LEU 96 N 2.96 0.67 -1.28 0.00 4.07 -1.97 -2.68 115.31 117.08 1tuz h LEU 96 Ca -0.48 -0.52 -0.02 0.00 0.08 0.00 0.00 57.88 56.94 1tuz h LEU 96 Cb 1.21 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 1tuz h LEU 96 CO 0.64 1.06 0.22 -1.13 -1.08 0.00 0.00 178.44 178.15 1tuz h ASN 97 N 0.31 0.64 -0.32 -0.43 -1.24 -1.94 0.78 115.58 113.37 1tuz h ASN 97 Ca 0.02 -0.07 0.01 0.00 0.71 0.00 0.00 56.30 56.97 1tuz h ASN 97 Cb 0.91 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 1tuz h ASN 97 CO 0.08 0.57 0.21 0.44 -1.29 0.00 0.00 177.43 177.43 1tuz h ASP 98 N 0.71 0.35 0.47 1.15 5.19 -1.92 0.47 116.42 122.84 1tuz h ASP 98 Ca 0.17 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.49 1tuz h ASP 98 Cb 0.11 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1tuz h ASP 98 CO -0.02 0.25 -0.41 0.58 -3.12 0.00 0.00 179.24 176.52 1tuz h VAL 99 N 0.42 1.23 0.00 -1.35 2.07 -1.05 -0.93 116.25 116.65 1tuz h VAL 99 Ca 0.12 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.09 1tuz h VAL 99 Cb -0.03 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1tuz h VAL 99 CO -0.04 0.40 -0.52 -1.28 0.02 0.00 0.00 177.57 176.16 1tuz h SER 100 N 0.00 0.00 0.00 0.57 0.87 0.34 -1.97 113.55 113.36 1tuz h SER 100 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1tuz h SER 100 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1tuz h SER 100 CO 0.05 0.52 -0.07 0.00 -0.53 0.00 0.00 176.83 176.80 1tuz h TYR 102 N -0.79 -1.01 -0.04 0.00 3.20 -1.18 -1.60 116.97 115.55 1tuz h TYR 102 Ca -0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1tuz h TYR 102 Cb 0.91 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1tuz h TYR 102 CO 0.22 -0.49 -0.28 0.74 -1.64 0.00 0.00 178.16 176.71 1tuz h PHE 103 N -0.66 0.07 -0.21 -3.82 0.04 -1.48 -2.17 116.94 108.71 1tuz h PHE 103 Ca 0.01 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1tuz h PHE 103 Cb 0.65 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1tuz h PHE 103 CO -0.28 0.35 0.14 1.03 -0.60 0.00 0.00 178.31 178.95 1tuz h SER 104 N 0.06 0.15 -0.05 2.17 0.87 -0.24 -0.78 113.55 115.73 1tuz h SER 104 Ca 0.01 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1tuz h SER 104 Cb 0.54 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1tuz h SER 104 CO 0.04 0.11 -0.49 -0.07 -0.53 0.00 0.00 176.83 175.88 1tuz h LEU 105 N 0.18 0.52 0.26 2.23 -0.00 -0.66 -2.14 115.31 115.70 1tuz h LEU 105 Ca 0.09 -0.70 0.01 0.00 -0.00 0.00 0.00 57.88 57.28 1tuz h LEU 105 Cb 0.13 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 1tuz h LEU 105 CO -0.01 1.14 -0.42 -0.07 -0.00 0.00 0.00 178.44 179.08 1tuz h LEU 106 N -0.05 -1.19 -0.42 1.67 4.07 -1.14 1.42 115.31 119.66 1tuz h LEU 106 Ca -0.05 0.12 0.08 0.00 0.08 0.00 0.00 57.88 58.11 1tuz h LEU 106 Cb 1.17 0.43 -0.07 0.00 1.08 0.00 0.00 40.66 43.27 1tuz h LEU 106 CO 0.10 -0.53 0.02 -0.33 -1.08 0.00 0.00 178.44 176.62 1tuz h GLU 107 N -0.75 0.13 -1.95 1.13 5.08 -1.27 -2.46 114.58 114.49 1tuz h GLU 107 Ca -0.01 -0.01 -0.71 0.00 -1.00 0.00 0.00 59.36 57.64 1tuz h GLU 107 Cb 0.72 -0.03 -0.33 0.00 0.50 0.00 0.00 28.75 29.61 1tuz h GLU 107 CO -0.16 0.08 0.39 0.41 -1.00 0.00 0.00 179.01 178.73 1tuz n GLY 108 N -1.28 5.78 2.52 -3.84 0.00 -0.80 -4.81 105.19 102.76 1tuz n GLY 108 Ca 0.03 -2.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.40 4.63 3.66 -0.02 0.00 0.48 -4.75 105.19 108.78 1tuz n GLY 109 Ca 0.46 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.29 4.09 0.58 1.61 1.70 -1.26 -4.96 118.95 118.42 1tuz s ARG 110 Ca 0.55 2.45 -0.16 0.00 -0.47 0.00 0.00 55.73 58.10 1tuz s ARG 110 Cb 0.39 -4.12 -0.04 0.00 -0.57 0.00 0.00 34.95 30.60 1tuz s ARG 110 CO -0.24 -0.99 1.05 -1.25 -1.08 0.00 0.00 175.30 172.79 1tuz s PRO 111 N 4.45 3.42 0.65 3.89 0.04 -1.26 -4.89 135.00 141.30 1tuz s PRO 111 Ca 0.85 1.18 0.30 0.00 0.04 0.00 0.00 61.00 63.37 1tuz s PRO 111 Cb -0.39 -2.05 1.63 0.00 0.04 0.00 0.00 34.50 33.73 1tuz s PRO 111 CO 0.38 -0.73 1.91 0.93 0.04 0.00 0.00 177.00 179.53 1tuz h GLU 112 N 0.56 0.00 -2.03 4.56 3.07 -2.04 -3.33 114.58 115.37 1tuz h GLU 112 Ca -0.47 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.18 1tuz h GLU 112 Cb 1.22 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.81 1tuz h GLU 112 CO 0.58 0.00 -0.54 -0.51 -1.40 0.00 0.00 179.01 177.14 1tuz s ASP 113 N -4.42 0.69 0.82 1.42 1.01 -1.26 -5.15 116.67 109.77 1tuz s ASP 113 Ca -0.03 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1tuz s ASP 113 Cb 0.09 0.89 0.00 0.00 1.01 0.00 0.00 42.92 44.90 1tuz s ASP 113 CO 0.27 -0.33 0.00 2.29 0.21 0.00 0.00 175.17 177.62 1tuz n LYS 114 N 5.35 -1.33 -1.02 8.23 -0.00 -1.25 -4.89 118.16 123.24 1tuz n LYS 114 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.94 1tuz n LYS 114 Cb 0.49 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.64 1tuz n LYS 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1tuz n LEU 115 N 0.00 1.87 -3.70 -5.58 7.99 -1.26 -5.03 117.00 111.30 1tuz n LEU 115 Ca 0.00 0.49 -0.11 0.00 -0.01 0.00 0.00 56.01 56.39 1tuz n LEU 115 Cb 0.00 -1.33 -0.10 0.00 -0.11 0.00 0.00 43.42 41.88 1tuz n LEU 115 CO 0.00 -2.74 0.09 -1.61 -1.51 0.00 0.00 177.39 171.62 1tuz s GLU 116 N -3.63 0.44 0.00 3.23 2.02 -1.26 -5.00 118.70 114.49 1tuz s GLU 116 Ca 0.65 0.79 0.21 0.00 0.02 0.00 0.00 54.97 56.65 1tuz s GLU 116 Cb -0.28 0.04 0.13 0.00 0.10 0.00 0.00 34.13 34.12 1tuz s GLU 116 CO 0.59 -0.14 1.14 0.91 0.02 0.00 0.00 175.26 177.78 1tuz n TRP 117 N 4.02 0.00 -0.29 1.61 7.02 -1.26 -5.31 117.44 123.23 1tuz n TRP 117 Ca -0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1tuz n TRP 117 Cb 0.56 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.45 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12