#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 4.49 -1.00 3.04 0.00 -1.26 -4.99 120.51 120.79 1tuz n ALA 2 Ca 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1tuz n ALA 2 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.40 0.00 -2.03 0.00 3.00 -1.26 -4.83 118.16 114.44 1tuz n LYS 3 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1tuz n LYS 3 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.40 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 0.01 -1.17 1.64 4.07 -1.26 -4.98 120.64 118.94 1tuz n GLU 4 Ca 0.00 -0.03 -0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1tuz n GLU 4 Cb 0.00 0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.44 1tuz n GLU 4 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1tuz n ARG 5 N -0.05 0.02 0.00 5.31 1.85 -1.26 -5.14 116.66 117.39 1tuz n ARG 5 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1tuz n ARG 5 Cb 0.03 0.18 0.00 0.00 -1.05 0.00 0.00 32.46 31.62 1tuz n ARG 5 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1tuz n GLY 6 N -0.02 1.96 1.96 2.89 0.00 -1.26 -4.96 105.19 105.75 1tuz n GLY 6 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -6.03 -2.32 0.99 4.32 -1.26 -4.13 117.00 108.56 1tuz n LEU 7 Ca 0.00 3.17 -0.01 0.00 -0.02 0.00 0.00 56.01 59.14 1tuz n LEU 7 Cb 0.00 -3.06 -0.00 0.00 -1.62 0.00 0.00 43.42 38.74 1tuz n LEU 7 CO 0.00 -1.43 -0.02 2.30 -1.22 0.00 0.00 177.39 177.02 1tuz n ILE 8 N 1.51 -0.06 -1.30 -0.08 -5.35 -1.26 -4.37 119.36 108.44 1tuz n ILE 8 Ca 0.00 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 62.64 1tuz n ILE 8 Cb 0.00 -0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 37.65 1tuz n ILE 8 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1tuz n SER 9 N -1.26 -7.32 0.00 7.28 7.64 -1.26 -2.25 113.62 116.46 1tuz n SER 9 Ca -0.02 0.86 0.11 0.00 1.01 0.00 0.00 58.87 60.84 1tuz n SER 9 Cb 0.46 -4.19 0.62 0.00 -1.01 0.00 0.00 64.21 60.09 1tuz n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1tuz n PRO 10 N -3.93 0.48 -0.07 1.43 -0.04 -1.26 -2.09 135.00 129.52 1tuz n PRO 10 Ca -0.03 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 1tuz n PRO 10 Cb 0.66 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.00 0.13 3.54 0.02 -1.90 -2.26 113.55 113.08 1tuz h SER 11 Ca 0.00 -0.95 -0.24 0.00 -0.84 0.00 0.00 61.79 59.76 1tuz h SER 11 Cb 0.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1tuz h SER 11 CO 0.00 0.96 -0.97 -0.78 -1.14 0.00 0.00 176.83 174.90 1tuz h ASP 12 N -0.97 0.75 -0.45 3.07 3.58 -1.40 -3.06 116.42 117.95 1tuz h ASP 12 Ca -0.00 -0.59 -0.04 0.00 0.42 0.00 0.00 57.03 56.82 1tuz h ASP 12 Cb 0.95 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 1tuz h ASP 12 CO 0.00 1.39 0.16 0.15 -2.88 0.00 0.00 179.24 178.06 1tuz h PHE 13 N 0.34 0.76 0.66 0.28 3.04 -1.53 -0.26 116.94 120.22 1tuz h PHE 13 Ca -0.10 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.77 1tuz h PHE 13 Cb 1.61 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 39.90 1tuz h PHE 13 CO 0.08 0.62 -0.32 0.00 -2.02 0.00 0.00 178.31 176.67 1tuz h ALA 14 N 1.45 -0.88 0.27 2.41 0.00 -1.38 1.22 119.26 122.34 1tuz h ALA 14 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tuz h ALA 14 Cb 0.21 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1tuz h ALA 14 CO -0.01 -0.96 -0.35 0.37 0.00 0.00 0.00 179.25 178.30 1tuz h GLN 15 N -0.96 -0.65 -0.64 0.00 5.75 -1.42 1.35 115.11 118.54 1tuz h GLN 15 Ca -0.09 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1tuz h GLN 15 Cb 0.70 0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.34 1tuz h GLN 15 CO 0.15 -0.43 0.34 1.25 -2.65 0.00 0.00 178.83 177.49 1tuz h LEU 16 N -0.68 0.50 0.70 -2.39 5.85 -1.03 0.31 115.31 118.57 1tuz h LEU 16 Ca -0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1tuz h LEU 16 Cb 0.64 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1tuz h LEU 16 CO -0.11 0.32 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.36 1tuz h GLN 17 N 0.63 -0.90 -0.70 1.25 4.15 0.22 1.43 115.11 121.19 1tuz h GLN 17 Ca 0.29 0.06 0.15 0.00 0.77 0.00 0.00 58.65 59.92 1tuz h GLN 17 Cb 0.20 0.21 -0.13 0.00 0.21 0.00 0.00 27.48 27.97 1tuz h GLN 17 CO -0.19 -0.60 -0.07 -0.22 -1.93 0.00 0.00 178.83 175.82 1tuz h LYS 18 N -1.00 0.06 0.32 1.69 3.64 0.20 1.14 116.57 122.62 1tuz h LYS 18 Ca -0.10 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1tuz h LYS 18 Cb 0.72 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1tuz h LYS 18 CO 0.16 0.04 -0.15 1.88 -2.27 0.00 0.00 179.45 179.10 1tuz h TYR 19 N 0.06 -0.40 -0.34 1.91 -1.99 -0.26 -2.45 116.97 113.50 1tuz h TYR 19 Ca 0.36 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.15 1tuz h TYR 19 Cb 0.59 0.13 -0.06 0.00 2.00 0.00 0.00 36.73 39.39 1tuz h TYR 19 CO -0.46 -0.11 -0.05 0.52 -0.00 0.00 0.00 178.16 178.05 1tuz h MET 20 N -0.65 0.03 -0.37 4.88 2.86 0.33 0.15 114.93 122.16 1tuz h MET 20 Ca -0.04 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1tuz h MET 20 Cb 0.46 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.03 1tuz h MET 20 CO 0.07 0.02 -0.26 0.93 1.06 0.00 0.00 176.91 178.73 1tuz h GLU 21 N 0.03 -0.20 0.00 1.72 5.08 0.13 0.36 114.58 121.70 1tuz h GLU 21 Ca 0.17 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1tuz h GLU 21 Cb 0.24 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1tuz h GLU 21 CO -0.33 -0.13 -0.12 -0.92 -1.00 0.00 0.00 179.01 176.51 1tuz h TYR 22 N -0.21 0.00 -3.79 4.33 5.03 -0.88 -3.42 116.97 118.02 1tuz h TYR 22 Ca 0.18 0.00 -0.50 0.00 2.58 0.00 0.00 58.73 60.99 1tuz h TYR 22 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1tuz h TYR 22 CO -0.47 0.12 0.42 0.45 -1.32 0.00 0.00 178.16 177.36 1tuz s SER 23 N -6.12 7.40 -0.07 -2.11 0.15 0.13 -4.94 113.70 108.14 1tuz s SER 23 Ca -0.03 2.13 0.11 0.00 0.70 0.00 0.00 55.95 58.87 1tuz s SER 23 Cb 0.13 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.98 1tuz s SER 23 CO 0.58 -0.03 1.08 1.07 1.20 0.00 0.00 173.24 177.14 1tuz n THR 24 N 1.26 1.48 -2.61 6.45 5.66 -1.26 -4.90 114.28 120.35 1tuz n THR 24 Ca -0.01 -1.70 -0.15 0.00 -3.05 0.00 0.00 64.05 59.13 1tuz n THR 24 Cb 0.46 0.08 0.07 0.00 -1.55 0.00 0.00 70.33 69.40 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 -1.02 0.24 -4.21 1.09 5.02 -1.26 -5.12 118.16 112.89 1tuz n LYS 25 Ca 0.09 -1.94 -0.16 0.00 -2.02 0.00 0.00 58.31 54.27 1tuz n LYS 25 Cb 0.48 -0.40 -0.14 0.00 -0.02 0.00 0.00 35.03 34.95 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 -4.17 0.56 0.35 1.97 1.02 -1.26 -5.03 119.74 113.18 1tuz s LYS 26 Ca 0.45 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 56.14 1tuz s LYS 26 Cb -0.03 -0.51 0.63 0.00 -0.52 0.00 0.00 37.83 37.41 1tuz s LYS 26 CO 0.30 0.13 1.87 -0.24 -0.92 0.00 0.00 175.35 176.49 1tuz h VAL 27 N 4.87 1.20 0.00 3.17 3.04 -1.97 -0.99 116.25 125.57 1tuz h VAL 27 Ca -0.31 -0.85 -0.04 0.00 -1.01 0.00 0.00 66.70 64.50 1tuz h VAL 27 Cb 1.19 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 1tuz h VAL 27 CO 0.48 0.28 -0.17 0.77 -1.01 0.00 0.00 177.57 177.92 1tuz h SER 28 N 0.40 0.00 0.00 3.17 4.64 -1.96 0.37 113.55 120.18 1tuz h SER 28 Ca 0.08 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1tuz h SER 28 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1tuz h SER 28 CO 0.02 0.17 -0.20 0.44 -0.87 0.00 0.00 176.83 176.39 1tuz h ASP 29 N 0.00 0.17 0.37 4.97 3.32 -1.62 -3.03 116.42 120.60 1tuz h ASP 29 Ca -0.00 -0.80 -0.08 0.00 0.02 0.00 0.00 57.03 56.18 1tuz h ASP 29 Cb 0.41 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1tuz h ASP 29 CO 0.02 0.95 -0.36 0.58 -1.72 0.00 0.00 179.24 178.71 1tuz h VAL 30 N -0.58 1.24 0.24 -1.35 2.07 -1.08 -2.77 116.25 114.02 1tuz h VAL 30 Ca -0.03 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1tuz h VAL 30 Cb 0.98 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1tuz h VAL 30 CO 0.04 0.35 -0.25 0.25 0.02 0.00 0.00 177.57 177.98 1tuz h LEU 31 N 0.00 -0.67 -2.12 2.57 5.85 -0.28 0.59 115.31 121.25 1tuz h LEU 31 Ca -0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1tuz h LEU 31 Cb 0.64 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1tuz h LEU 31 CO 0.05 -0.36 0.09 0.07 -0.34 0.00 0.00 178.44 177.94 1tuz h LYS 32 N -0.52 0.00 -0.42 1.25 2.10 -1.39 0.13 116.57 117.72 1tuz h LYS 32 Ca -0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1tuz h LYS 32 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1tuz h LYS 32 CO -0.06 0.00 -0.22 -0.07 -2.00 0.00 0.00 179.45 177.10 1tuz h LEU 33 N 0.00 0.86 0.00 7.07 3.38 -0.78 -0.22 115.31 125.62 1tuz h LEU 33 Ca 0.05 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1tuz h LEU 33 Cb 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1tuz h LEU 33 CO -0.00 1.05 -0.08 0.49 0.09 0.00 0.00 178.44 179.99 1tuz n PHE 34 N -4.11 0.64 -0.07 1.13 3.72 0.26 -0.08 117.46 118.95 1tuz n PHE 34 Ca 0.00 0.19 -0.06 0.00 -0.05 0.00 0.00 57.45 57.53 1tuz n PHE 34 Cb 0.44 -0.78 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 4.39 -0.46 -3.19 114.58 114.24 1tuz h GLU 35 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1tuz h GLU 35 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1tuz h GLU 35 CO 0.00 0.23 -1.21 -3.47 -1.16 0.00 0.00 179.01 173.40 1tuz n ASP 36 N -4.66 4.12 -3.27 1.42 2.03 -0.15 -4.78 116.55 111.27 1tuz n ASP 36 Ca -0.08 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.13 1tuz n ASP 36 Cb 0.23 0.42 0.10 0.00 -0.72 0.00 0.00 41.12 41.15 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 2.93 -2.16 0.23 0.27 0.00 0.88 -4.73 105.19 102.62 1tuz n GLY 37 Ca -0.05 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.90 -2.48 114.58 116.20 1tuz h GLU 38 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1tuz h GLU 38 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1tuz h GLU 38 CO 0.08 0.18 0.00 -1.33 -1.16 0.00 0.00 179.01 176.78 1tuz n MET 39 N -3.33 0.12 0.00 2.33 2.81 -0.98 -1.54 117.12 116.53 1tuz n MET 39 Ca 0.00 0.21 0.14 0.00 -1.81 0.00 0.00 57.70 56.24 1tuz n MET 39 Cb 0.41 -1.50 0.76 0.00 -0.71 0.00 0.00 33.22 32.18 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 -1.35 2.45 0.68 3.04 0.00 -0.94 -2.49 120.51 121.90 1tuz n ALA 40 Ca 0.05 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.46 1tuz n ALA 40 Cb 0.11 -1.45 0.46 0.00 0.00 0.00 0.00 19.45 18.57 1tuz n ALA 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1tuz n LYS 41 N -1.13 0.18 -1.51 0.00 2.85 -0.59 -3.11 118.16 114.84 1tuz n LYS 41 Ca 0.17 0.19 -0.23 0.00 -1.05 0.00 0.00 58.31 57.40 1tuz n LYS 41 Cb 0.15 -1.73 0.08 0.00 -0.65 0.00 0.00 35.03 32.89 1tuz n LYS 41 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tuz n TYR 42 N -2.04 2.52 -4.87 5.58 4.01 -1.04 -4.96 117.16 116.36 1tuz n TYR 42 Ca 0.05 -2.32 -0.29 0.00 -0.16 0.00 0.00 57.90 55.18 1tuz n TYR 42 Cb 0.37 -0.73 -0.17 0.00 -0.31 0.00 0.00 39.34 38.50 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 -4.33 1.62 -0.16 -0.72 1.01 -1.18 -4.32 120.40 112.32 1tuz s VAL 43 Ca 0.54 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1tuz s VAL 43 Cb 0.44 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1tuz s VAL 43 CO 0.02 0.46 -0.19 -1.10 0.00 0.00 0.00 175.10 174.28 1tuz s GLN 44 N 0.55 3.07 -1.47 2.72 -0.21 0.55 -4.69 119.66 120.17 1tuz s GLN 44 Ca -0.16 -0.82 -0.08 0.00 0.02 0.00 0.00 55.36 54.33 1tuz s GLN 44 Cb -0.17 -2.53 0.06 0.00 1.00 0.00 0.00 33.01 31.37 1tuz s GLN 44 CO 0.06 -0.06 0.75 0.41 -2.12 0.00 0.00 175.29 174.32 1tuz n GLY 45 N 4.23 -0.37 2.45 3.09 0.00 -1.26 0.12 105.19 113.45 1tuz n GLY 45 Ca -0.20 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.90 -4.80 -4.48 1.61 2.03 -1.26 -4.97 116.55 101.79 1tuz n ASP 46 Ca -0.12 0.34 -0.27 0.00 0.52 0.00 0.00 54.79 55.26 1tuz n ASP 46 Cb 0.60 -3.52 -0.09 0.00 -0.72 0.00 0.00 41.12 37.39 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 -2.47 3.14 0.03 -1.67 0.00 0.33 -4.44 121.76 116.69 1tuz s ALA 47 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1tuz s ALA 47 Cb 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1tuz s ALA 47 CO 0.00 -0.20 -0.06 -1.50 0.00 0.00 0.00 175.76 174.00 1tuz s ILE 48 N -3.05 0.36 0.45 0.00 -1.16 0.11 0.20 121.20 118.12 1tuz s ILE 48 Ca 0.24 -0.94 0.07 0.00 -0.51 0.00 0.00 60.65 59.51 1tuz s ILE 48 Cb 0.05 -0.45 0.07 0.00 0.61 0.00 0.00 42.46 42.74 1tuz s ILE 48 CO 0.12 -0.39 0.57 0.61 -2.81 0.00 0.00 174.94 173.04 1tuz n GLY 49 N 1.64 2.13 0.16 1.50 0.00 -1.26 0.96 105.19 110.33 1tuz n GLY 49 Ca -0.22 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 0.19 0.04 0.42 1.61 3.20 -1.95 -2.70 116.97 117.78 1tuz h TYR 50 Ca -0.23 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 1tuz h TYR 50 Cb 0.99 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1tuz h TYR 50 CO 0.00 0.52 -0.20 1.49 -1.64 0.00 0.00 178.16 178.33 1tuz h GLU 51 N 0.03 -0.55 -0.91 1.82 4.81 -1.95 -3.00 114.58 114.84 1tuz h GLU 51 Ca -0.00 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1tuz h GLU 51 Cb 0.88 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 1tuz h GLU 51 CO 0.07 -0.25 0.58 0.78 -0.73 0.00 0.00 179.01 179.46 1tuz h GLY 52 N -0.83 1.29 1.52 1.92 0.00 -1.83 0.22 103.07 105.36 1tuz h GLY 52 Ca -0.06 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 46.99 1tuz h GLY 52 CO 0.10 0.12 0.19 -2.75 0.00 0.00 0.00 176.54 174.19 1tuz h PHE 53 N 0.77 0.00 -0.44 5.60 3.57 -1.35 -0.36 116.94 124.74 1tuz h PHE 53 Ca 0.45 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.89 1tuz h PHE 53 Cb 0.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1tuz h PHE 53 CO -0.00 0.00 0.04 1.96 -2.23 0.00 0.00 178.31 178.08 1tuz h GLN 54 N 0.00 0.74 0.00 1.11 1.08 -0.46 -1.78 115.11 115.80 1tuz h GLN 54 Ca 0.09 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1tuz h GLN 54 Cb 0.46 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1tuz h GLN 54 CO -0.00 0.79 -0.14 0.37 -0.95 0.00 0.00 178.83 178.90 1tuz h GLN 55 N 0.59 0.00 -0.14 1.46 4.15 -1.14 -3.16 115.11 116.88 1tuz h GLN 55 Ca 0.13 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1tuz h GLN 55 Cb 0.42 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1tuz h GLN 55 CO 0.01 0.14 -0.21 0.35 -1.93 0.00 0.00 178.83 177.19 1tuz h PHE 56 N 0.00 0.48 0.00 3.99 3.57 -0.83 -2.83 116.94 121.32 1tuz h PHE 56 Ca -0.00 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1tuz h PHE 56 Cb 0.83 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1tuz h PHE 56 CO 0.00 0.83 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.83 1tuz h LEU 57 N -0.01 0.00 0.68 0.59 3.38 -1.31 1.53 115.31 120.17 1tuz h LEU 57 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1tuz h LEU 57 Cb 0.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1tuz h LEU 57 CO 0.05 0.01 -0.33 0.50 0.09 0.00 0.00 178.44 178.76 1tuz h LYS 58 N 0.00 -0.88 -0.03 1.13 3.64 -1.50 -1.28 116.57 117.66 1tuz h LYS 58 Ca -0.00 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1tuz h LYS 58 Cb 0.02 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1tuz h LYS 58 CO 0.00 -0.59 -0.12 0.82 -2.27 0.00 0.00 179.45 177.29 1tuz h ILE 59 N -1.24 1.49 -0.00 2.00 5.03 -1.33 0.35 117.51 123.81 1tuz h ILE 59 Ca -0.09 -1.62 0.00 0.00 -0.12 0.00 0.00 64.86 63.03 1tuz h ILE 59 Cb 0.70 2.49 -0.00 0.00 -3.03 0.00 0.00 36.82 36.98 1tuz h ILE 59 CO 0.15 0.44 -0.00 0.22 -0.68 0.00 0.00 178.15 178.28 1tuz h TYR 60 N -0.47 -0.00 0.00 1.37 3.20 0.20 0.32 116.97 121.59 1tuz h TYR 60 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1tuz h TYR 60 Cb 0.77 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1tuz h TYR 60 CO 0.15 -0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 1tuz n LEU 61 N -2.62 0.00 -1.05 2.82 4.77 -0.48 -4.68 117.00 115.76 1tuz n LEU 61 Ca -0.00 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1tuz n LEU 61 Cb 0.00 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1tuz n LEU 61 CO 0.00 -0.02 -0.12 1.21 -1.33 0.00 0.00 177.39 177.13 1tuz n GLU 62 N -1.10 -1.59 -2.56 3.23 2.13 0.93 -4.70 120.64 116.99 1tuz n GLU 62 Ca 0.17 0.87 -0.40 0.00 0.66 0.00 0.00 57.16 58.46 1tuz n GLU 62 Cb 0.13 -5.18 -0.05 0.00 0.27 0.00 0.00 31.44 26.61 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 -2.02 3.73 -0.90 6.31 -7.23 0.47 -4.89 120.40 115.87 1tuz s VAL 63 Ca 0.00 1.69 0.21 0.00 -1.81 0.00 0.00 61.98 62.07 1tuz s VAL 63 Cb 0.00 -4.07 0.19 0.00 0.56 0.00 0.00 36.38 33.06 1tuz s VAL 63 CO 0.00 0.38 1.67 0.47 -0.31 0.00 0.00 175.10 177.31 1tuz n ASP 64 N 1.51 0.17 -3.22 4.85 9.92 -1.26 -4.36 116.55 124.17 1tuz n ASP 64 Ca -0.01 0.53 0.04 0.00 -0.53 0.00 0.00 54.79 54.82 1tuz n ASP 64 Cb 0.46 -0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 1tuz n ASP 64 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1tuz s ASN 65 N -3.32 -0.30 0.04 -2.24 4.22 -1.26 -5.08 114.94 107.00 1tuz s ASN 65 Ca 0.09 0.30 -0.04 0.00 -2.14 0.00 0.00 52.86 51.08 1tuz s ASN 65 Cb 0.13 1.30 -0.05 0.00 1.28 0.00 0.00 41.25 43.91 1tuz s ASN 65 CO 0.40 -0.06 0.25 0.54 -2.04 0.00 0.00 177.10 176.19 1tuz s VAL 66 N 2.55 5.33 0.24 3.54 0.11 -1.26 -5.07 120.40 125.83 1tuz s VAL 66 Ca -0.02 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.65 1tuz s VAL 66 Cb -0.06 -3.59 -0.09 0.00 -1.53 0.00 0.00 36.38 31.12 1tuz s VAL 66 CO -0.14 0.24 1.10 -2.16 -3.33 0.00 0.00 175.10 170.81 1tuz s PRO 67 N -2.17 4.63 0.36 1.54 0.04 -1.26 -4.94 135.00 133.20 1tuz s PRO 67 Ca 0.32 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.24 1tuz s PRO 67 Cb -0.13 -3.23 0.67 0.00 0.04 0.00 0.00 34.50 31.85 1tuz s PRO 67 CO 0.21 0.17 1.79 0.07 0.04 0.00 0.00 177.00 179.29 1tuz h ARG 68 N 4.35 0.00 -0.80 4.56 0.11 -1.98 -2.14 114.38 118.49 1tuz h ARG 68 Ca -0.46 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.68 1tuz h ARG 68 Cb 1.21 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.23 1tuz h ARG 68 CO 0.69 0.41 0.48 1.25 0.10 0.00 0.00 179.97 182.90 1tuz h HIS 69 N 0.00 0.89 -0.12 4.08 2.76 -2.00 0.14 115.15 120.90 1tuz h HIS 69 Ca -0.00 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.01 1tuz h HIS 69 Cb 0.73 -0.28 0.01 0.00 1.55 0.00 0.00 27.41 29.41 1tuz h HIS 69 CO 0.00 0.44 -0.64 1.25 -1.30 0.00 0.00 177.93 177.68 1tuz h LEU 70 N 0.88 0.77 -1.95 0.26 5.85 -1.89 -2.78 115.31 116.45 1tuz h LEU 70 Ca 0.35 -0.64 0.10 0.00 0.84 0.00 0.00 57.88 58.53 1tuz h LEU 70 Cb 0.18 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1tuz h LEU 70 CO -0.18 1.29 0.28 -1.28 -0.34 0.00 0.00 178.44 178.22 1tuz h SER 71 N 0.31 0.05 -0.06 1.25 0.87 -0.68 1.58 113.55 116.86 1tuz h SER 71 Ca -0.05 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1tuz h SER 71 Cb 1.28 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1tuz h SER 71 CO 0.13 0.03 -0.17 0.25 -0.53 0.00 0.00 176.83 176.54 1tuz h LEU 72 N 0.06 0.26 -0.63 2.23 5.85 -0.61 -2.67 115.31 119.79 1tuz h LEU 72 Ca 0.19 -0.60 -0.14 0.00 0.84 0.00 0.00 57.88 58.17 1tuz h LEU 72 Cb 0.67 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1tuz h LEU 72 CO -0.01 0.82 -0.44 0.00 -0.34 0.00 0.00 178.44 178.47 1tuz h ALA 73 N 0.45 0.81 -0.23 1.25 0.00 -0.87 -2.40 119.26 118.27 1tuz h ALA 73 Ca -0.00 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1tuz h ALA 73 Cb 0.79 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1tuz h ALA 73 CO 0.04 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.70 1tuz h LEU 74 N 0.47 -0.56 -0.82 0.00 3.38 0.22 -1.10 115.31 116.90 1tuz h LEU 74 Ca 0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1tuz h LEU 74 Cb 0.95 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1tuz h LEU 74 CO 0.08 -0.21 0.38 0.15 0.09 0.00 0.00 178.44 178.93 1tuz h PHE 75 N -0.17 1.19 -0.29 1.13 3.57 -1.38 -1.57 116.94 119.42 1tuz h PHE 75 Ca 0.13 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1tuz h PHE 75 Cb 0.37 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1tuz h PHE 75 CO -0.33 0.87 0.41 1.96 -2.23 0.00 0.00 178.31 178.99 1tuz h GLN 76 N 1.17 0.00 0.27 1.11 4.20 -0.70 -0.21 115.11 120.95 1tuz h GLN 76 Ca 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1tuz h GLN 76 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1tuz h GLN 76 CO -0.03 0.00 -0.13 1.03 -0.67 0.00 0.00 178.83 179.03 1tuz h SER 77 N 0.00 -0.30 -4.26 1.46 0.87 -0.66 -3.44 113.55 107.22 1tuz h SER 77 Ca 0.14 -0.11 -0.36 0.00 -1.23 0.00 0.00 61.79 60.23 1tuz h SER 77 Cb 0.95 0.08 -0.26 0.00 -0.44 0.00 0.00 62.40 62.73 1tuz h SER 77 CO -0.00 -0.07 -0.76 -0.36 -0.53 0.00 0.00 176.83 175.11 1tuz s PHE 78 N -5.39 0.78 -0.30 2.24 0.40 -0.09 -5.12 117.98 110.50 1tuz s PHE 78 Ca -0.15 -0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1tuz s PHE 78 Cb 0.04 -0.48 0.19 0.00 0.51 0.00 0.00 43.02 43.27 1tuz s PHE 78 CO 0.61 -0.02 0.76 -2.00 0.70 0.00 0.00 175.22 175.27 1tuz s GLU 79 N -0.76 0.43 0.62 0.44 2.12 -1.26 -4.70 118.70 115.59 1tuz s GLU 79 Ca -0.01 0.64 0.25 0.00 0.36 0.00 0.00 54.97 56.21 1tuz s GLU 79 Cb -0.06 0.34 1.23 0.00 0.26 0.00 0.00 34.13 35.90 1tuz s GLU 79 CO 0.00 -0.58 1.68 0.00 -0.54 0.00 0.00 175.26 175.82 1tuz h THR 80 N 5.67 0.14 0.00 -1.70 1.03 -1.96 -2.60 112.91 113.49 1tuz h THR 80 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1tuz h THR 80 Cb 1.17 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1tuz h THR 80 CO 0.11 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.23 1tuz n GLY 81 N -1.46 -3.05 4.31 2.99 0.00 -1.26 -4.79 105.19 101.93 1tuz n GLY 81 Ca 0.07 0.35 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.72 -1.52 -3.64 1.61 -0.00 -0.98 -4.89 115.22 104.08 1tuz n HIS 82 Ca 0.00 0.75 -0.05 0.00 0.46 0.00 0.00 57.72 58.88 1tuz n HIS 82 Cb 0.00 -2.67 -0.07 0.00 -0.12 0.00 0.00 29.99 27.13 1tuz n HIS 82 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1tuz n LEU 84 N 3.91 3.60 -2.67 0.00 7.99 -1.26 -4.83 117.00 123.73 1tuz n LEU 84 Ca -0.19 -4.21 -0.05 0.00 -0.01 0.00 0.00 56.01 51.56 1tuz n LEU 84 Cb 0.58 -0.05 0.07 0.00 -0.11 0.00 0.00 43.42 43.92 1tuz n LEU 84 CO 0.00 1.76 0.56 -0.46 -1.51 0.00 0.00 177.39 177.74 1tuz n ASN 85 N -0.59 -1.47 0.00 -1.43 0.23 -1.26 -5.16 115.26 105.58 1tuz n ASN 85 Ca 0.29 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1tuz n ASN 85 Cb 0.86 0.85 0.00 0.00 -2.08 0.00 0.00 39.78 39.41 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 1.50 0.00 -2.76 -3.83 2.13 -1.26 -5.09 120.64 111.34 1tuz n GLU 86 Ca 0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.81 1tuz n GLU 86 Cb 0.70 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.47 1tuz n GLU 86 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1tuz n THR 87 N 0.00 0.96 -2.69 6.31 -1.04 -1.26 -4.88 114.28 111.68 1tuz n THR 87 Ca 0.00 -2.64 -0.06 0.00 -2.04 0.00 0.00 64.05 59.30 1tuz n THR 87 Cb 0.00 1.07 0.12 0.00 -1.82 0.00 0.00 70.33 69.69 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 -0.55 -1.58 -2.01 8.00 5.15 -1.26 -4.95 115.26 118.05 1tuz n ASN 88 Ca 0.04 -2.43 -0.25 0.00 -0.60 0.00 0.00 54.58 51.35 1tuz n ASN 88 Cb 0.82 0.85 0.05 0.00 -0.53 0.00 0.00 39.78 40.97 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 -0.74 2.83 0.49 3.44 0.31 -1.26 -4.46 118.33 118.93 1tuz n VAL 89 Ca -0.05 -3.73 0.05 0.00 -0.01 0.00 0.00 64.34 60.60 1tuz n VAL 89 Cb 0.85 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.66 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 -3.71 2.52 5.66 -1.26 -4.74 114.28 111.94 1tuz n THR 90 Ca 0.48 -0.25 -0.28 0.00 -3.05 0.00 0.00 64.05 60.95 1tuz n THR 90 Cb 0.89 0.98 -0.11 0.00 -1.55 0.00 0.00 70.33 70.54 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 -1.27 1.57 -1.66 1.09 4.01 -1.26 -5.03 118.16 115.61 1tuz n LYS 91 Ca 0.02 -4.21 -0.16 0.00 -0.51 0.00 0.00 58.31 53.45 1tuz n LYS 91 Cb 0.17 -2.12 -0.08 0.00 -0.51 0.00 0.00 35.03 32.49 1tuz n LYS 91 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1tuz s ASP 92 N -1.30 3.95 0.42 4.39 1.47 -1.26 -4.83 116.67 119.50 1tuz s ASP 92 Ca 0.29 -0.39 0.03 0.00 1.18 0.00 0.00 52.55 53.66 1tuz s ASP 92 Cb 0.01 -2.57 -0.03 0.00 -0.34 0.00 0.00 42.92 40.00 1tuz s ASP 92 CO -0.15 -3.97 0.09 0.68 0.68 0.00 0.00 175.17 172.50 1tuz s VAL 93 N 14.74 0.82 0.07 2.11 -7.23 -1.26 -3.85 120.40 125.80 1tuz s VAL 93 Ca 0.86 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.77 1tuz s VAL 93 Cb -0.09 -2.38 0.08 0.00 0.56 0.00 0.00 36.38 34.55 1tuz s VAL 93 CO 0.10 0.00 0.70 0.54 -0.31 0.00 0.00 175.10 176.13 1tuz s VAL 94 N -3.14 0.00 0.17 1.32 0.11 0.27 -4.61 120.40 114.52 1tuz s VAL 94 Ca 0.22 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1tuz s VAL 94 Cb 0.03 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.81 1tuz s VAL 94 CO 0.12 0.00 1.12 0.00 -3.33 0.00 0.00 175.10 173.02 1tuz h LEU 96 N 5.21 0.66 -1.71 0.00 4.07 -1.94 -2.35 115.31 119.26 1tuz h LEU 96 Ca -0.44 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.17 1tuz h LEU 96 Cb 1.21 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1tuz h LEU 96 CO 0.73 0.88 0.21 -1.13 -1.08 0.00 0.00 178.44 178.05 1tuz h ASN 97 N 0.45 0.34 -0.62 -0.43 -1.24 -1.93 0.39 115.58 112.54 1tuz h ASN 97 Ca 0.09 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.00 1tuz h ASN 97 Cb 0.58 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1tuz h ASN 97 CO 0.03 0.24 0.03 0.44 -1.29 0.00 0.00 177.43 176.89 1tuz h ASP 98 N 0.40 1.04 0.53 1.15 5.19 -1.85 0.16 116.42 123.04 1tuz h ASP 98 Ca 0.12 -0.29 -0.17 0.00 -0.62 0.00 0.00 57.03 56.07 1tuz h ASP 98 Cb 0.01 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1tuz h ASP 98 CO -0.03 1.08 -0.74 0.58 -3.12 0.00 0.00 179.24 177.01 1tuz h VAL 99 N 0.97 1.46 0.00 -1.35 2.07 -0.60 -2.61 116.25 116.19 1tuz h VAL 99 Ca 0.18 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.32 1tuz h VAL 99 Cb 0.52 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1tuz h VAL 99 CO 0.03 0.68 -0.18 -1.28 0.02 0.00 0.00 177.57 176.84 1tuz h SER 100 N 0.11 0.00 -0.01 0.57 0.87 0.13 -1.77 113.55 113.44 1tuz h SER 100 Ca -0.02 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1tuz h SER 100 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1tuz h SER 100 CO 0.11 0.18 -0.27 0.00 -0.53 0.00 0.00 176.83 176.32 1tuz h TYR 102 N -0.42 -0.47 -0.48 0.00 3.20 -1.38 -2.69 116.97 114.72 1tuz h TYR 102 Ca -0.03 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1tuz h TYR 102 Cb 0.99 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1tuz h TYR 102 CO 0.17 -0.24 0.32 0.74 -1.64 0.00 0.00 178.16 177.51 1tuz h PHE 103 N -0.61 0.49 -0.12 -3.82 0.04 -1.43 0.22 116.94 111.71 1tuz h PHE 103 Ca -0.05 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.76 1tuz h PHE 103 Cb 0.45 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1tuz h PHE 103 CO -0.03 0.28 0.08 1.03 -0.60 0.00 0.00 178.31 179.08 1tuz h SER 104 N 0.50 0.04 0.23 2.17 0.87 -0.97 0.17 113.55 116.57 1tuz h SER 104 Ca 0.20 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.55 1tuz h SER 104 Cb 0.17 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1tuz h SER 104 CO -0.05 0.03 -0.83 -0.07 -0.53 0.00 0.00 176.83 175.38 1tuz h LEU 105 N 0.04 0.57 -0.46 2.23 3.38 -0.71 -3.08 115.31 117.28 1tuz h LEU 105 Ca 0.05 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1tuz h LEU 105 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1tuz h LEU 105 CO -0.00 1.18 0.30 -0.07 0.09 0.00 0.00 178.44 179.94 1tuz h LEU 106 N 0.29 0.52 -0.24 1.67 -0.00 -0.76 -2.62 115.31 114.18 1tuz h LEU 106 Ca -0.05 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.87 1tuz h LEU 106 Cb 1.43 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 41.91 1tuz h LEU 106 CO 0.15 0.38 -0.13 -0.33 -0.00 0.00 0.00 178.44 178.50 1tuz h GLU 107 N 0.62 -0.10 0.00 1.13 5.08 -1.33 -3.46 114.58 116.52 1tuz h GLU 107 Ca 0.17 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1tuz h GLU 107 Cb -0.07 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1tuz h GLU 107 CO -0.04 -0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.31 1tuz n GLY 108 N -1.30 -0.07 0.00 -3.84 0.00 -0.99 -5.14 105.19 93.86 1tuz n GLY 108 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.44 3.28 -0.02 0.00 -1.21 -5.02 105.19 103.66 1tuz n GLY 109 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 2.00 2.42 0.67 1.61 0.52 -1.26 -4.93 118.95 119.98 1tuz s ARG 110 Ca 0.00 -0.91 -0.12 0.00 -0.52 0.00 0.00 55.73 54.18 1tuz s ARG 110 Cb 0.00 -2.13 -0.00 0.00 0.52 0.00 0.00 34.95 33.34 1tuz s ARG 110 CO 0.00 0.44 1.06 -1.25 0.02 0.00 0.00 175.30 175.56 1tuz s PRO 111 N -0.30 3.04 0.00 3.54 0.04 -1.26 -4.67 135.00 135.39 1tuz s PRO 111 Ca 0.01 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1tuz s PRO 111 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1tuz s PRO 111 CO 0.02 -1.02 0.00 -1.91 0.04 0.00 0.00 177.00 174.14 1tuz n GLU 112 N -2.86 0.00 -1.58 4.56 0.00 -1.26 -4.95 120.64 114.55 1tuz n GLU 112 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.83 1tuz n GLU 112 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 31.44 31.83 1tuz n GLU 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1tuz n ASP 113 N -2.00 4.63 -2.81 4.31 9.92 -1.26 -4.90 116.55 124.44 1tuz n ASP 113 Ca 0.00 -2.77 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 1tuz n ASP 113 Cb 0.00 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 38.90 1tuz n ASP 113 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1tuz n LYS 114 N 5.70 0.56 -0.77 -1.24 2.85 -1.26 -4.89 118.16 119.10 1tuz n LYS 114 Ca 0.56 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.50 1tuz n LYS 114 Cb 0.36 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.87 1tuz n LYS 114 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1tuz n LEU 115 N 0.00 0.40 -3.70 -5.58 4.32 -1.26 -5.03 117.00 106.15 1tuz n LEU 115 Ca 0.00 0.34 -0.11 0.00 -0.02 0.00 0.00 56.01 56.22 1tuz n LEU 115 Cb 0.00 -1.25 -0.10 0.00 -1.62 0.00 0.00 43.42 40.44 1tuz n LEU 115 CO 0.00 -3.37 0.09 -1.61 -1.22 0.00 0.00 177.39 171.28 1tuz s GLU 116 N -3.82 0.44 0.00 3.23 2.02 -1.26 -5.13 118.70 114.18 1tuz s GLU 116 Ca 0.59 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.36 1tuz s GLU 116 Cb -0.21 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.07 1tuz s GLU 116 CO 0.66 -0.14 0.00 0.91 0.02 0.00 0.00 175.26 176.71 1tuz n TRP 117 N 3.95 0.00 -0.98 1.61 8.01 -1.26 -5.31 117.44 123.46 1tuz n TRP 117 Ca -0.21 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 1tuz n TRP 117 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13