#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 3.18 -1.00 3.04 0.00 -1.26 -5.06 120.51 119.41 1tuz n ALA 2 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1tuz n ALA 2 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.10 0.00 0.00 0.00 3.00 -1.26 -5.12 118.16 114.68 1tuz n LYS 3 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1tuz n LYS 3 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.85 1tuz n LYS 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1tuz n GLU 4 N 0.00 0.00 -3.32 1.64 1.02 -1.26 -5.17 120.64 113.55 1tuz n GLU 4 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1tuz n GLU 4 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1tuz n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1tuz n ARG 5 N -0.70 0.82 -1.15 3.49 5.12 -1.26 -5.01 116.66 117.97 1tuz n ARG 5 Ca 0.00 -1.88 -0.21 0.00 -1.93 0.00 0.00 57.85 53.83 1tuz n ARG 5 Cb 0.00 0.95 -0.16 0.00 -1.16 0.00 0.00 32.46 32.09 1tuz n ARG 5 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tuz n GLY 6 N 0.78 -0.38 3.31 -0.13 0.00 -1.26 -4.58 105.19 102.93 1tuz n GLY 6 Ca -0.04 0.22 -0.60 0.00 0.00 0.00 0.00 46.02 45.60 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 5.19 0.92 -4.54 0.99 4.32 -1.26 -4.41 117.00 118.21 1tuz n LEU 7 Ca 0.52 0.70 -0.41 0.00 -0.02 0.00 0.00 56.01 56.79 1tuz n LEU 7 Cb 0.09 -0.93 -0.05 0.00 -1.62 0.00 0.00 43.42 40.91 1tuz n LEU 7 CO 0.82 -0.77 1.95 0.00 -1.22 0.00 0.00 177.39 178.17 1tuz n ILE 8 N 6.37 0.10 -0.57 -0.08 3.06 -1.26 -4.91 119.36 122.07 1tuz n ILE 8 Ca 0.52 -0.53 -0.22 0.00 -2.50 0.00 0.00 62.75 60.02 1tuz n ILE 8 Cb -0.02 -2.32 0.15 0.00 0.54 0.00 0.00 39.64 38.00 1tuz n ILE 8 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1tuz n SER 9 N 13.07 -2.89 0.00 9.51 7.64 -1.26 -4.65 113.62 135.03 1tuz n SER 9 Ca 0.38 -0.33 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1tuz n SER 9 Cb 0.41 -0.80 0.70 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.77 0.75 -0.05 1.43 -0.04 -1.26 -2.79 135.00 131.27 1tuz n PRO 10 Ca 0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1tuz n PRO 10 Cb 0.44 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1tuz n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1tuz h SER 11 N 0.00 -0.01 0.05 3.54 0.87 -1.99 -2.72 113.55 113.29 1tuz h SER 11 Ca 0.00 -0.78 -0.23 0.00 -1.23 0.00 0.00 61.79 59.55 1tuz h SER 11 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1tuz h SER 11 CO 0.00 0.80 -0.88 0.44 -0.53 0.00 0.00 176.83 176.66 1tuz h ASP 12 N -0.85 0.79 -0.73 6.23 5.19 -1.87 -3.11 116.42 122.07 1tuz h ASP 12 Ca -0.00 -0.57 0.08 0.00 -0.62 0.00 0.00 57.03 55.92 1tuz h ASP 12 Cb 0.79 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 1tuz h ASP 12 CO 0.00 1.36 0.48 0.15 -3.12 0.00 0.00 179.24 178.12 1tuz h PHE 13 N 0.40 0.71 0.28 4.55 3.04 -1.64 -0.79 116.94 123.49 1tuz h PHE 13 Ca -0.08 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1tuz h PHE 13 Cb 1.51 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1tuz h PHE 13 CO 0.08 0.35 -0.13 0.00 -2.02 0.00 0.00 178.31 176.59 1tuz h ALA 14 N 1.62 -0.38 -0.08 2.41 0.00 -1.43 0.19 119.26 121.60 1tuz h ALA 14 Ca 0.33 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1tuz h ALA 14 Cb 0.39 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1tuz h ALA 14 CO -0.11 -0.59 -0.35 0.37 0.00 0.00 0.00 179.25 178.56 1tuz h GLN 15 N -0.61 -0.44 -0.88 0.00 5.75 -1.33 0.25 115.11 117.84 1tuz h GLN 15 Ca -0.04 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1tuz h GLN 15 Cb 0.44 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.02 1tuz h GLN 15 CO 0.06 -0.30 0.54 1.25 -2.65 0.00 0.00 178.83 177.74 1tuz h LEU 16 N -0.46 0.83 0.35 -2.39 5.85 -1.16 0.15 115.31 118.48 1tuz h LEU 16 Ca 0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1tuz h LEU 16 Cb 0.58 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1tuz h LEU 16 CO -0.33 0.51 -0.37 1.56 -0.34 0.00 0.00 178.44 179.47 1tuz h GLN 17 N 0.95 -0.73 0.57 1.25 4.20 0.10 1.38 115.11 122.84 1tuz h GLN 17 Ca 0.40 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.14 1tuz h GLN 17 Cb 0.24 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1tuz h GLN 17 CO -0.20 -0.48 -0.45 -0.22 -0.67 0.00 0.00 178.83 176.81 1tuz h LYS 18 N -0.75 -0.96 -0.75 1.46 3.64 -0.05 0.51 116.57 119.66 1tuz h LYS 18 Ca -0.02 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1tuz h LYS 18 Cb 0.68 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.63 1tuz h LYS 18 CO -0.08 -0.64 0.31 1.88 -2.27 0.00 0.00 179.45 178.66 1tuz h TYR 19 N -0.99 0.54 0.55 1.91 0.05 -0.58 0.15 116.97 118.59 1tuz h TYR 19 Ca -0.07 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1tuz h TYR 19 Cb 0.84 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.46 1tuz h TYR 19 CO -0.18 0.09 -0.26 0.52 -1.05 0.00 0.00 178.16 177.28 1tuz h MET 20 N 0.47 -0.71 -0.25 4.88 2.86 0.23 -2.90 114.93 119.51 1tuz h MET 20 Ca 0.41 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 58.16 1tuz h MET 20 Cb 0.60 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 1tuz h MET 20 CO -0.39 -0.43 -0.24 0.93 1.06 0.00 0.00 176.91 177.84 1tuz h GLU 21 N -0.85 -0.24 -1.05 1.72 5.08 0.61 0.13 114.58 119.98 1tuz h GLU 21 Ca -0.08 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.67 1tuz h GLU 21 Cb 0.61 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.76 1tuz h GLU 21 CO 0.12 -0.16 0.61 -0.92 -1.00 0.00 0.00 179.01 177.66 1tuz h TYR 22 N -0.25 0.83 -2.45 4.33 5.03 -0.68 -3.39 116.97 120.40 1tuz h TYR 22 Ca 0.14 0.04 -0.45 0.00 2.58 0.00 0.00 58.73 61.03 1tuz h TYR 22 Cb 0.46 -0.21 0.03 0.00 1.55 0.00 0.00 36.73 38.56 1tuz h TYR 22 CO -0.40 -0.26 -0.15 0.45 -1.32 0.00 0.00 178.16 176.48 1tuz s SER 23 N -4.73 5.76 -0.39 -2.11 0.15 0.03 -5.06 113.70 107.35 1tuz s SER 23 Ca -0.09 0.10 0.10 0.00 0.70 0.00 0.00 55.95 56.76 1tuz s SER 23 Cb 0.31 -1.32 0.31 0.00 -1.71 0.00 0.00 66.02 63.61 1tuz s SER 23 CO 0.79 -0.72 0.70 0.35 1.20 0.00 0.00 173.24 175.56 1tuz n THR 24 N -2.02 -0.32 -4.41 6.45 -2.24 -1.26 -4.89 114.28 105.58 1tuz n THR 24 Ca 0.02 -4.00 -0.20 0.00 -2.27 0.00 0.00 64.05 57.60 1tuz n THR 24 Cb 0.58 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 1tuz n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tuz s LYS 25 N -1.65 1.58 0.02 -0.78 -0.14 -1.26 -5.15 119.74 112.35 1tuz s LYS 25 Ca 0.37 -1.86 0.01 0.00 -1.36 0.00 0.00 55.97 53.12 1tuz s LYS 25 Cb 0.28 -0.72 -0.04 0.00 -1.68 0.00 0.00 37.83 35.67 1tuz s LYS 25 CO -0.10 -0.20 0.07 0.15 -0.76 0.00 0.00 175.35 174.51 1tuz s LYS 26 N -3.92 2.98 0.24 1.68 -0.14 -1.26 -5.00 119.74 114.32 1tuz s LYS 26 Ca 0.36 -0.55 0.06 0.00 -1.36 0.00 0.00 55.97 54.48 1tuz s LYS 26 Cb 0.08 -2.80 0.25 0.00 -1.68 0.00 0.00 37.83 33.68 1tuz s LYS 26 CO 0.15 0.62 1.55 -0.24 -0.76 0.00 0.00 175.35 176.67 1tuz h VAL 27 N 3.10 1.42 -0.46 3.17 3.04 -1.95 -2.41 116.25 122.17 1tuz h VAL 27 Ca -0.48 -2.11 -0.06 0.00 -1.01 0.00 0.00 66.70 63.03 1tuz h VAL 27 Cb 1.18 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 32.54 1tuz h VAL 27 CO 0.62 0.62 0.04 0.77 -1.01 0.00 0.00 177.57 178.61 1tuz h SER 28 N 0.11 0.69 0.31 3.17 4.64 -1.94 0.68 113.55 121.21 1tuz h SER 28 Ca -0.01 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.00 1tuz h SER 28 Cb 1.16 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1tuz h SER 28 CO 0.09 0.73 -0.67 0.44 -0.87 0.00 0.00 176.83 176.56 1tuz h ASP 29 N 0.69 0.38 -0.07 4.97 5.19 -1.94 -0.49 116.42 125.15 1tuz h ASP 29 Ca 0.14 -0.23 -0.14 0.00 -0.62 0.00 0.00 57.03 56.18 1tuz h ASP 29 Cb 0.37 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 39.78 1tuz h ASP 29 CO 0.01 0.94 -0.48 0.58 -3.12 0.00 0.00 179.24 177.16 1tuz h VAL 30 N 0.23 1.39 0.00 -1.35 2.07 -0.89 -2.98 116.25 114.72 1tuz h VAL 30 Ca -0.02 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1tuz h VAL 30 Cb 1.21 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1tuz h VAL 30 CO 0.11 0.55 -0.06 -0.07 0.02 0.00 0.00 177.57 178.12 1tuz h LEU 31 N 0.01 0.00 -2.33 2.57 3.38 0.37 -1.77 115.31 117.55 1tuz h LEU 31 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1tuz h LEU 31 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1tuz h LEU 31 CO 0.10 0.06 -0.01 0.11 0.09 0.00 0.00 178.44 178.78 1tuz h LYS 32 N 0.00 0.00 0.00 1.13 1.57 -0.92 0.17 116.57 118.52 1tuz h LYS 32 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1tuz h LYS 32 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1tuz h LYS 32 CO 0.01 0.01 -0.95 -0.07 -0.57 0.00 0.00 179.45 177.88 1tuz h LEU 33 N 0.00 0.00 -0.05 2.94 3.38 -1.40 -1.66 115.31 118.52 1tuz h LEU 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tuz h LEU 33 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1tuz h LEU 33 CO 0.00 0.76 0.00 0.49 0.09 0.00 0.00 178.44 179.78 1tuz n PHE 34 N -3.21 0.22 -0.11 1.13 3.01 0.51 0.17 117.46 119.18 1tuz n PHE 34 Ca -0.02 0.07 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 1tuz n PHE 34 Cb 0.86 -0.61 -0.09 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.68 0.50 -0.03 -1.08 0.28 -0.69 -3.40 120.64 114.53 1tuz n GLU 35 Ca 0.06 0.17 -0.03 0.00 -0.16 0.00 0.00 57.16 57.19 1tuz n GLU 35 Cb 0.31 -1.35 -0.04 0.00 1.43 0.00 0.00 31.44 31.79 1tuz n GLU 35 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1tuz n ASP 36 N -3.60 3.53 -4.63 -1.84 9.92 -0.64 -4.88 116.55 114.42 1tuz n ASP 36 Ca -0.41 -0.01 -0.29 0.00 -0.53 0.00 0.00 54.79 53.55 1tuz n ASP 36 Cb 0.85 0.43 0.20 0.00 -0.64 0.00 0.00 41.12 41.96 1tuz n ASP 36 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1tuz s GLY 37 N -3.99 1.56 0.56 0.44 0.00 0.45 -4.88 107.32 101.46 1tuz s GLY 37 Ca -0.05 -0.26 0.27 0.00 0.00 0.00 0.00 44.72 44.69 1tuz s GLY 37 CO 0.22 0.37 2.18 1.05 0.00 0.00 0.00 173.10 176.92 1tuz h GLU 38 N -2.09 0.00 0.00 2.90 4.11 -1.94 -1.19 114.58 116.37 1tuz h GLU 38 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1tuz h GLU 38 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1tuz h GLU 38 CO 0.55 0.05 0.17 0.52 0.07 0.00 0.00 179.01 180.37 1tuz h MET 39 N 0.00 0.00 0.00 1.06 2.86 -1.86 0.69 114.93 117.68 1tuz h MET 39 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1tuz h MET 39 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1tuz h MET 39 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 1tuz n ALA 40 N -1.79 2.33 0.22 6.32 0.00 -0.45 -2.67 120.51 124.46 1tuz n ALA 40 Ca -0.02 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.37 1tuz n ALA 40 Cb 0.21 -1.39 0.51 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.22 0.00 2.10 0.20 -2.84 116.57 114.81 1tuz h LYS 41 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 1tuz h LYS 41 Cb 0.10 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 31.06 1tuz h LYS 41 CO 0.00 0.25 -0.08 0.66 -2.00 0.00 0.00 179.45 178.28 1tuz n TYR 42 N -3.70 3.08 -4.61 0.07 4.02 -1.09 -4.96 117.16 109.97 1tuz n TYR 42 Ca -0.01 -2.66 -0.26 0.00 -0.01 0.00 0.00 57.90 54.96 1tuz n TYR 42 Cb 0.36 -0.68 -0.17 0.00 -0.02 0.00 0.00 39.34 38.84 1tuz n TYR 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1tuz s VAL 43 N -4.98 1.32 -0.18 -0.72 1.01 -1.07 -4.43 120.40 111.36 1tuz s VAL 43 Ca 0.54 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1tuz s VAL 43 Cb 0.44 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1tuz s VAL 43 CO -0.11 0.40 -0.16 -1.10 0.00 0.00 0.00 175.10 174.13 1tuz s GLN 44 N 0.74 3.12 -1.21 2.72 -0.21 0.52 -4.75 119.66 120.60 1tuz s GLN 44 Ca -0.13 -0.78 -0.25 0.00 0.02 0.00 0.00 55.36 54.23 1tuz s GLN 44 Cb -0.16 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.22 1tuz s GLN 44 CO 0.03 -0.13 0.69 0.41 -2.12 0.00 0.00 175.29 174.16 1tuz n GLY 45 N 4.45 -0.83 2.23 3.09 0.00 -1.26 0.18 105.19 113.05 1tuz n GLY 45 Ca -0.20 0.37 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.48 -4.16 -4.49 1.61 9.92 -1.26 -4.91 116.55 110.77 1tuz n ASP 46 Ca -0.13 0.33 -0.23 0.00 -0.53 0.00 0.00 54.79 54.23 1tuz n ASP 46 Cb 0.59 -3.74 -0.11 0.00 -0.64 0.00 0.00 41.12 37.22 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 -2.40 2.59 0.02 2.24 0.00 0.48 -3.51 121.76 121.18 1tuz s ALA 47 Ca 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 51.96 49.85 1tuz s ALA 47 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1tuz s ALA 47 CO 0.00 -0.17 0.03 -1.50 0.00 0.00 0.00 175.76 174.12 1tuz s ILE 48 N -3.03 0.12 0.74 0.00 2.07 0.52 0.20 121.20 121.81 1tuz s ILE 48 Ca 0.34 -0.96 -0.04 0.00 -1.41 0.00 0.00 60.65 58.58 1tuz s ILE 48 Cb 0.07 -0.51 0.12 0.00 0.13 0.00 0.00 42.46 42.27 1tuz s ILE 48 CO 0.15 -0.53 1.03 -0.83 -1.91 0.00 0.00 174.94 172.85 1tuz s GLY 49 N -1.67 1.76 0.34 1.50 0.00 -1.26 0.19 107.32 108.18 1tuz s GLY 49 Ca -0.12 -1.48 0.11 0.00 0.00 0.00 0.00 44.72 43.23 1tuz s GLY 49 CO -0.02 -0.94 1.77 -1.82 0.00 0.00 0.00 173.10 172.10 1tuz h TYR 50 N -0.65 0.05 0.28 1.90 3.20 -1.98 -2.60 116.97 117.17 1tuz h TYR 50 Ca -0.39 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 1tuz h TYR 50 Cb 1.27 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1tuz h TYR 50 CO -0.21 0.45 -0.14 1.49 -1.64 0.00 0.00 178.16 178.11 1tuz h GLU 51 N 0.04 -0.37 -0.61 1.82 4.81 -1.95 -3.04 114.58 115.28 1tuz h GLU 51 Ca 0.00 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 1tuz h GLU 51 Cb 0.75 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1tuz h GLU 51 CO 0.06 -0.03 0.43 0.78 -0.73 0.00 0.00 179.01 179.52 1tuz h GLY 52 N -0.80 0.20 2.00 1.92 0.00 -1.87 0.34 103.07 104.87 1tuz h GLY 52 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1tuz h GLY 52 CO 0.06 0.02 -0.12 -2.75 0.00 0.00 0.00 176.54 173.76 1tuz h PHE 53 N 0.12 0.00 -0.44 5.60 3.57 -1.35 -1.85 116.94 122.58 1tuz h PHE 53 Ca 0.29 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1tuz h PHE 53 Cb 0.99 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1tuz h PHE 53 CO -0.00 0.12 0.18 1.96 -2.23 0.00 0.00 178.31 178.33 1tuz h GLN 54 N 0.00 0.67 0.00 1.11 1.08 -0.26 -1.78 115.11 115.92 1tuz h GLN 54 Ca -0.00 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1tuz h GLN 54 Cb 0.27 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1tuz h GLN 54 CO 0.02 0.61 -0.20 -0.56 -0.95 0.00 0.00 178.83 177.74 1tuz h GLN 55 N 0.58 0.00 -0.48 1.46 3.07 -1.48 -3.15 115.11 115.10 1tuz h GLN 55 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.75 1tuz h GLN 55 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1tuz h GLN 55 CO -0.01 0.20 -0.22 0.35 0.09 0.00 0.00 178.83 179.24 1tuz h PHE 56 N 0.00 1.16 0.00 0.06 3.57 -0.75 -2.34 116.94 118.64 1tuz h PHE 56 Ca -0.00 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1tuz h PHE 56 Cb 0.95 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1tuz h PHE 56 CO 0.00 1.12 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.10 1tuz h LEU 57 N 0.86 0.00 0.52 0.59 3.38 -1.30 1.59 115.31 120.95 1tuz h LEU 57 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1tuz h LEU 57 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1tuz h LEU 57 CO 0.07 0.03 -0.25 0.50 0.09 0.00 0.00 178.44 178.88 1tuz h LYS 58 N 0.00 -0.67 -0.13 1.13 3.64 -1.50 -2.91 116.57 116.12 1tuz h LYS 58 Ca -0.00 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1tuz h LYS 58 Cb 0.12 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1tuz h LYS 58 CO 0.00 -0.45 -0.22 0.82 -2.27 0.00 0.00 179.45 177.34 1tuz h ILE 59 N -1.18 1.37 0.00 2.00 5.03 -1.35 0.65 117.51 124.02 1tuz h ILE 59 Ca -0.07 -1.46 0.00 0.00 -0.12 0.00 0.00 64.86 63.21 1tuz h ILE 59 Cb 0.53 2.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.32 1tuz h ILE 59 CO 0.12 0.43 0.00 0.00 -0.68 0.00 0.00 178.15 178.01 1tuz n TYR 60 N -4.49 0.00 1.57 1.37 9.36 0.54 -0.53 117.16 124.97 1tuz n TYR 60 Ca -0.07 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.30 1tuz n TYR 60 Cb 0.42 -0.32 0.70 0.00 -0.63 0.00 0.00 39.34 39.51 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 -2.28 0.41 0.00 2.98 4.32 -1.10 -4.87 117.00 116.46 1tuz n LEU 61 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1tuz n LEU 61 Cb 0.00 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1tuz n LEU 61 CO 0.00 0.07 0.00 -0.62 -1.22 0.00 0.00 177.39 175.62 1tuz n GLU 62 N -0.88 -0.65 -1.39 3.23 4.71 0.20 -4.70 120.64 121.17 1tuz n GLU 62 Ca 0.17 0.16 -0.36 0.00 -0.01 0.00 0.00 57.16 57.12 1tuz n GLU 62 Cb 0.24 -3.88 0.08 0.00 -1.01 0.00 0.00 31.44 26.87 1tuz n GLU 62 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1tuz n VAL 63 N -2.28 2.78 1.03 2.62 0.24 0.37 -4.83 118.33 118.27 1tuz n VAL 63 Ca 0.00 -0.40 0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1tuz n VAL 63 Cb 0.16 -1.03 0.21 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.21 0.66 -3.24 -1.34 8.00 -1.26 -4.54 116.55 113.62 1tuz n ASP 64 Ca 0.13 -0.46 0.04 0.00 0.71 0.00 0.00 54.79 55.21 1tuz n ASP 64 Cb 0.49 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 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 -2.93 -0.36 0.04 -2.24 4.22 -1.26 -5.09 114.94 107.31 1tuz s ASN 65 Ca 0.12 0.38 -0.03 0.00 -2.14 0.00 0.00 52.86 51.19 1tuz s ASN 65 Cb 0.18 1.37 -0.04 0.00 1.28 0.00 0.00 41.25 44.03 1tuz s ASN 65 CO 0.70 -0.07 0.24 0.54 -2.04 0.00 0.00 177.10 176.47 1tuz s VAL 66 N 2.53 5.35 0.15 3.54 0.11 -1.26 -5.07 120.40 125.75 1tuz s VAL 66 Ca -0.02 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.63 1tuz s VAL 66 Cb -0.06 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 31.13 1tuz s VAL 66 CO -0.14 0.24 1.13 -2.16 -3.33 0.00 0.00 175.10 170.83 1tuz s PRO 67 N -2.16 4.55 0.30 1.54 0.04 -1.26 -4.94 135.00 133.07 1tuz s PRO 67 Ca 0.32 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1tuz s PRO 67 Cb -0.13 -3.29 0.48 0.00 0.04 0.00 0.00 34.50 31.60 1tuz s PRO 67 CO 0.21 -0.01 1.80 -0.09 0.04 0.00 0.00 177.00 178.96 1tuz h ARG 68 N 5.47 0.58 -0.88 4.56 1.12 -1.97 -1.57 114.38 121.69 1tuz h ARG 68 Ca -0.44 -0.16 0.13 0.00 -1.11 0.00 0.00 59.98 58.41 1tuz h ARG 68 Cb 1.21 -0.07 -0.09 0.00 -0.01 0.00 0.00 29.97 31.02 1tuz h ARG 68 CO 0.74 0.65 0.49 0.45 -3.11 0.00 0.00 179.97 179.20 1tuz h HIS 69 N 0.54 0.87 -0.03 2.20 3.86 -1.99 0.66 115.15 121.27 1tuz h HIS 69 Ca 0.10 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1tuz h HIS 69 Cb 0.46 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1tuz h HIS 69 CO 0.02 0.27 -0.21 1.25 0.86 0.00 0.00 177.93 180.13 1tuz h LEU 70 N 0.74 0.23 -2.41 2.43 5.85 -1.85 -2.82 115.31 117.48 1tuz h LEU 70 Ca 0.46 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1tuz h LEU 70 Cb 0.57 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1tuz h LEU 70 CO -0.32 0.89 0.15 -1.28 -0.34 0.00 0.00 178.44 177.54 1tuz h SER 71 N -0.41 0.00 -0.02 1.25 0.87 -0.30 1.10 113.55 116.04 1tuz h SER 71 Ca -0.02 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1tuz h SER 71 Cb 0.89 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1tuz h SER 71 CO 0.04 0.00 -0.30 0.25 -0.53 0.00 0.00 176.83 176.30 1tuz h LEU 72 N 0.00 0.29 -0.39 2.23 5.85 0.43 -2.77 115.31 120.96 1tuz h LEU 72 Ca 0.04 -0.73 -0.19 0.00 0.84 0.00 0.00 57.88 57.84 1tuz h LEU 72 Cb 0.35 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1tuz h LEU 72 CO -0.00 0.98 -0.76 0.00 -0.34 0.00 0.00 178.44 178.33 1tuz h ALA 73 N 0.32 0.58 0.14 1.25 0.00 -0.80 -2.15 119.26 118.59 1tuz h ALA 73 Ca -0.03 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1tuz h ALA 73 Cb 1.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1tuz h ALA 73 CO 0.06 0.78 -0.38 -0.07 0.00 0.00 0.00 179.25 179.64 1tuz h LEU 74 N 0.25 -1.11 -0.66 0.00 3.38 0.11 0.14 115.31 117.42 1tuz h LEU 74 Ca -0.04 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1tuz h LEU 74 Cb 1.34 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1tuz h LEU 74 CO 0.13 -0.47 0.30 0.15 0.09 0.00 0.00 178.44 178.64 1tuz h PHE 75 N -0.63 0.97 -0.68 1.13 3.57 -1.52 -2.68 116.94 117.10 1tuz h PHE 75 Ca 0.02 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.58 1tuz h PHE 75 Cb 0.65 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 1tuz h PHE 75 CO -0.33 0.74 0.26 1.96 -2.23 0.00 0.00 178.31 178.71 1tuz h GLN 76 N 0.92 0.42 -1.95 1.11 4.20 -0.76 -0.94 115.11 118.11 1tuz h GLN 76 Ca 0.23 -0.03 -0.31 0.00 0.06 0.00 0.00 58.65 58.60 1tuz h GLN 76 Cb 0.14 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.72 1tuz h GLN 76 CO -0.03 0.28 0.03 0.45 -0.67 0.00 0.00 178.83 178.89 1tuz n SER 77 N -5.00 5.86 0.00 1.46 2.88 0.44 -4.17 113.62 115.09 1tuz n SER 77 Ca 0.11 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1tuz n SER 77 Cb 0.34 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1tuz n SER 77 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1tuz n PHE 78 N 1.56 0.00 -3.63 0.66 3.72 -0.36 -4.81 117.46 114.61 1tuz n PHE 78 Ca 0.41 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.73 1tuz n PHE 78 Cb 0.71 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.18 1tuz n PHE 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1tuz s GLU 79 N 0.00 0.39 0.19 -1.08 2.12 -1.26 -4.81 118.70 114.26 1tuz s GLU 79 Ca 0.00 0.39 0.15 0.00 0.36 0.00 0.00 54.97 55.86 1tuz s GLU 79 Cb 0.00 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 1tuz s GLU 79 CO 0.00 -0.06 1.23 0.00 -0.54 0.00 0.00 175.26 175.89 1tuz h THR 80 N 3.27 0.82 0.00 -1.70 1.03 -1.99 -3.46 112.91 110.89 1tuz h THR 80 Ca -0.26 -2.26 0.00 0.00 -0.01 0.00 0.00 66.41 63.88 1tuz h THR 80 Cb 1.18 2.34 0.00 0.00 -1.07 0.00 0.00 68.15 70.60 1tuz h THR 80 CO 0.16 0.47 0.00 0.61 -0.01 0.00 0.00 175.52 176.75 1tuz n GLY 81 N 1.29 3.28 0.00 2.99 0.00 -1.26 -5.09 105.19 106.40 1tuz n GLY 81 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.87 0.00 -1.39 1.61 -0.00 -1.26 -4.98 115.22 108.33 1tuz n HIS 82 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1tuz n HIS 82 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 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 -0.66 6.52 -0.10 0.00 7.99 -1.26 -4.95 117.00 124.53 1tuz n LEU 84 Ca -0.06 -3.90 0.01 0.00 -0.01 0.00 0.00 56.01 52.06 1tuz n LEU 84 Cb 0.27 -1.18 -0.01 0.00 -0.11 0.00 0.00 43.42 42.39 1tuz n LEU 84 CO 0.08 1.60 -0.04 -3.20 -1.51 0.00 0.00 177.39 174.32 1tuz n ASN 85 N 0.68 -0.58 -4.58 -1.43 2.85 -1.26 -4.52 115.26 106.42 1tuz n ASN 85 Ca 0.45 0.10 -0.19 0.00 -0.11 0.00 0.00 54.58 54.83 1tuz n ASN 85 Cb 0.56 -0.36 -0.09 0.00 1.24 0.00 0.00 39.78 41.13 1tuz n ASN 85 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1tuz s GLU 86 N -2.86 1.65 -0.45 1.20 2.02 -1.26 -4.66 118.70 114.34 1tuz s GLU 86 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.51 1tuz s GLU 86 Cb 0.00 -5.04 0.42 0.00 0.10 0.00 0.00 34.13 29.61 1tuz s GLU 86 CO 0.00 -4.88 1.18 2.41 0.02 0.00 0.00 175.26 174.00 1tuz n THR 87 N 8.62 2.47 -4.41 3.63 -1.04 -1.26 -4.90 114.28 117.38 1tuz n THR 87 Ca 0.43 -4.80 -0.39 0.00 -2.04 0.00 0.00 64.05 57.24 1tuz n THR 87 Cb 0.46 -1.25 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 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 -0.51 -2.02 -2.00 8.00 5.15 -1.26 -4.76 115.26 117.86 1tuz n ASN 88 Ca 0.41 -1.17 -0.21 0.00 -0.60 0.00 0.00 54.58 53.00 1tuz n ASN 88 Cb 0.67 -2.00 0.05 0.00 -0.53 0.00 0.00 39.78 37.97 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 -4.21 2.97 1.09 3.44 0.31 -1.26 -4.28 118.33 116.39 1tuz n VAL 89 Ca 0.06 -1.95 0.14 0.00 -0.01 0.00 0.00 64.34 62.58 1tuz n VAL 89 Cb 0.49 -1.26 0.61 0.00 -0.91 0.00 0.00 33.84 32.77 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 -0.01 0.00 -3.87 2.52 5.66 -1.26 -4.42 114.28 112.90 1tuz n THR 90 Ca 0.39 -0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.08 1tuz n THR 90 Cb 0.63 -0.41 -0.14 0.00 -1.55 0.00 0.00 70.33 68.86 1tuz n THR 90 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1tuz s LYS 91 N -2.90 1.41 -0.12 1.09 -2.85 -1.26 -5.09 119.74 110.02 1tuz s LYS 91 Ca 0.17 -1.94 0.01 0.00 -1.00 0.00 0.00 55.97 53.21 1tuz s LYS 91 Cb 0.19 -2.79 -0.01 0.00 -2.06 0.00 0.00 37.83 33.16 1tuz s LYS 91 CO 0.53 -1.04 -0.16 -0.51 0.10 0.00 0.00 175.35 174.27 1tuz s ASP 92 N 0.61 3.76 0.26 0.03 1.01 -1.26 -5.12 116.67 115.96 1tuz s ASP 92 Ca 0.14 -0.39 0.08 0.00 0.71 0.00 0.00 52.55 53.09 1tuz s ASP 92 Cb -0.22 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1tuz s ASP 92 CO -0.07 0.17 0.12 0.68 0.21 0.00 0.00 175.17 176.27 1tuz s VAL 93 N 0.33 4.02 0.16 -1.27 -7.23 -1.26 -4.37 120.40 110.78 1tuz s VAL 93 Ca -0.13 -1.61 0.10 0.00 -1.81 0.00 0.00 61.98 58.54 1tuz s VAL 93 Cb -0.16 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1tuz s VAL 93 CO 0.07 -0.35 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.58 1tuz s VAL 94 N -2.22 2.17 0.17 1.32 1.01 0.50 -4.47 120.40 118.88 1tuz s VAL 94 Ca 0.33 -1.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 1tuz s VAL 94 Cb -0.07 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 1tuz s VAL 94 CO 0.23 -0.10 1.12 0.00 0.00 0.00 0.00 175.10 176.35 1tuz h LEU 96 N 5.25 0.44 -0.52 0.00 3.38 -1.93 -3.06 115.31 118.87 1tuz h LEU 96 Ca -0.44 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 56.64 1tuz h LEU 96 Cb 1.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1tuz h LEU 96 CO 0.73 1.62 0.27 0.78 0.09 0.00 0.00 178.44 181.93 1tuz h ASN 97 N -0.25 0.66 -0.63 -0.43 2.35 -1.92 0.82 115.58 116.18 1tuz h ASN 97 Ca -0.29 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1tuz h ASN 97 Cb 1.80 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.96 1tuz h ASN 97 CO 0.09 0.58 0.38 0.44 -1.65 0.00 0.00 177.43 177.27 1tuz h ASP 98 N 0.69 0.60 -0.35 5.81 5.19 -1.97 -1.37 116.42 125.02 1tuz h ASP 98 Ca 0.18 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.47 1tuz h ASP 98 Cb 0.08 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1tuz h ASP 98 CO -0.03 0.41 -0.30 0.58 -3.12 0.00 0.00 179.24 176.79 1tuz h VAL 99 N 0.73 1.29 -0.12 -1.35 2.07 -1.31 -2.45 116.25 115.10 1tuz h VAL 99 Ca 0.26 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1tuz h VAL 99 Cb 0.06 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1tuz h VAL 99 CO -0.12 0.48 0.26 -1.28 0.02 0.00 0.00 177.57 176.93 1tuz h SER 100 N 0.61 0.00 0.02 0.57 0.87 0.14 0.75 113.55 116.51 1tuz h SER 100 Ca 0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1tuz h SER 100 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1tuz h SER 100 CO 0.08 0.00 -0.01 0.00 -0.53 0.00 0.00 176.83 176.37 1tuz h TYR 102 N -0.87 -0.08 -0.31 0.00 3.20 -0.79 -0.78 116.97 117.34 1tuz h TYR 102 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1tuz h TYR 102 Cb 0.78 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1tuz h TYR 102 CO 0.20 -0.07 0.10 0.74 -1.64 0.00 0.00 178.16 177.50 1tuz h PHE 103 N 0.02 0.43 -0.60 -3.82 -1.00 -1.11 0.54 116.94 111.40 1tuz h PHE 103 Ca 0.10 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.79 1tuz h PHE 103 Cb 0.14 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1tuz h PHE 103 CO -0.21 0.36 0.07 1.03 -1.61 0.00 0.00 178.31 177.95 1tuz h SER 104 N 0.43 0.95 0.55 2.17 0.87 -0.59 -2.46 113.55 115.48 1tuz h SER 104 Ca 0.11 -0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 60.26 1tuz h SER 104 Cb 0.13 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1tuz h SER 104 CO -0.01 0.97 -0.79 0.25 -0.53 0.00 0.00 176.83 176.72 1tuz h LEU 105 N 0.92 0.22 -0.19 2.23 6.46 -0.33 -3.24 115.31 121.38 1tuz h LEU 105 Ca 0.18 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1tuz h LEU 105 Cb 0.45 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.25 1tuz h LEU 105 CO 0.02 0.92 -0.46 -0.07 -0.62 0.00 0.00 178.44 178.22 1tuz h LEU 106 N 0.11 -1.48 -1.38 2.25 4.07 -0.44 1.22 115.31 119.67 1tuz h LEU 106 Ca -0.03 0.18 0.22 0.00 0.08 0.00 0.00 57.88 58.33 1tuz h LEU 106 Cb 1.37 0.59 -0.08 0.00 1.08 0.00 0.00 40.66 43.62 1tuz h LEU 106 CO 0.12 -0.38 0.62 1.05 -1.08 0.00 0.00 178.44 178.77 1tuz h GLU 107 N -0.43 0.46 -1.32 1.13 4.11 -1.60 0.40 114.58 117.32 1tuz h GLU 107 Ca 0.04 -0.03 -0.64 0.00 0.07 0.00 0.00 59.36 58.80 1tuz h GLU 107 Cb 0.54 -0.10 -0.36 0.00 0.50 0.00 0.00 28.75 29.33 1tuz h GLU 107 CO -0.41 0.30 0.00 0.41 0.07 0.00 0.00 179.01 179.39 1tuz n GLY 108 N -1.47 5.97 2.87 1.06 0.00 0.89 -4.79 105.19 109.72 1tuz n GLY 108 Ca 0.22 -2.58 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.64 5.62 3.61 -0.02 0.00 0.39 -4.86 105.19 109.28 1tuz n GLY 109 Ca 0.49 -2.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.11 3.42 0.86 1.61 0.52 -1.26 -4.96 118.95 115.03 1tuz s ARG 110 Ca 0.50 1.85 -0.12 0.00 -0.52 0.00 0.00 55.73 57.44 1tuz s ARG 110 Cb 0.40 -4.24 0.11 0.00 0.52 0.00 0.00 34.95 31.73 1tuz s ARG 110 CO -0.37 -1.76 1.12 -1.25 0.02 0.00 0.00 175.30 173.06 1tuz s PRO 111 N 5.64 1.59 0.18 3.54 0.04 -1.26 -4.98 135.00 139.74 1tuz s PRO 111 Ca 0.88 0.45 0.20 0.00 0.04 0.00 0.00 61.00 62.58 1tuz s PRO 111 Cb -0.29 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1tuz s PRO 111 CO 0.34 -1.92 1.02 1.49 0.04 0.00 0.00 177.00 177.98 1tuz h GLU 112 N -1.30 0.00 -1.47 4.56 4.81 -2.06 -3.43 114.58 115.69 1tuz h GLU 112 Ca -0.49 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.62 1tuz h GLU 112 Cb 1.30 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.42 1tuz h GLU 112 CO 0.61 0.11 -0.49 -0.51 -0.73 0.00 0.00 179.01 178.00 1tuz s ASP 113 N -5.59 -0.28 1.29 1.04 1.01 -1.26 -5.15 116.67 107.71 1tuz s ASP 113 Ca -0.01 -0.25 -0.19 0.00 0.71 0.00 0.00 52.55 52.81 1tuz s ASP 113 Cb 0.09 1.41 0.30 0.00 1.01 0.00 0.00 42.92 45.72 1tuz s ASP 113 CO 0.79 -0.33 0.69 2.29 0.21 0.00 0.00 175.17 178.82 1tuz n LYS 114 N 5.32 -3.59 -3.19 8.23 2.85 -1.26 -5.03 118.16 121.49 1tuz n LYS 114 Ca 0.03 -1.06 -0.21 0.00 -1.05 0.00 0.00 58.31 56.02 1tuz n LYS 114 Cb 0.51 -1.83 0.05 0.00 -0.65 0.00 0.00 35.03 33.10 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 -5.27 3.07 -0.15 -5.58 1.43 -1.26 -5.13 118.68 105.78 1tuz s LEU 115 Ca 0.59 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1tuz s LEU 115 Cb -0.13 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.53 1tuz s LEU 115 CO 0.53 -1.26 0.37 -1.61 0.23 0.00 0.00 176.35 174.61 1tuz s GLU 116 N -4.57 0.34 0.00 1.70 2.02 -1.26 -5.13 118.70 111.80 1tuz s GLU 116 Ca 0.56 0.73 0.00 0.00 0.02 0.00 0.00 54.97 56.29 1tuz s GLU 116 Cb -0.05 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1tuz s GLU 116 CO 0.35 -0.16 0.00 0.91 0.02 0.00 0.00 175.26 176.38 1tuz n TRP 117 N 4.30 0.00 1.15 1.61 8.01 -1.26 -5.36 117.44 125.89 1tuz n TRP 117 Ca -0.23 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.08 1tuz n TRP 117 Cb 0.54 0.00 0.23 0.00 -2.01 0.00 0.00 31.31 30.07 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13