#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 -1.35 -2.82 3.17 0.00 -1.26 -4.95 120.51 113.30 1tuz n ALA 2 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1tuz n ALA 2 Cb 0.00 -4.91 0.00 0.00 0.00 0.00 0.00 19.45 14.54 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 -4.83 0.89 -0.13 0.00 4.81 -1.26 -5.17 118.16 112.46 1tuz n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1tuz n LYS 3 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 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 -1.47 1.64 2.13 -1.26 -5.17 120.64 116.50 1tuz n GLU 4 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1tuz n GLU 4 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 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 -3.41 -2.80 5.31 3.00 -1.26 -4.96 116.66 112.54 1tuz n ARG 5 Ca 0.00 2.79 -0.03 0.00 -0.01 0.00 0.00 57.85 60.60 1tuz n ARG 5 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 32.46 28.46 1tuz n ARG 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1tuz n GLY 6 N -4.38 -3.25 0.06 -0.13 0.00 -1.26 -5.02 105.19 91.21 1tuz n GLY 6 Ca -0.10 0.99 -0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 1.78 0.00 -0.13 0.99 7.99 -1.26 -4.66 117.00 121.70 1tuz n LEU 7 Ca -0.22 -0.04 0.02 0.00 -0.01 0.00 0.00 56.01 55.76 1tuz n LEU 7 Cb 0.37 -0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.70 1tuz n LEU 7 CO 0.27 -0.37 0.36 2.30 -1.51 0.00 0.00 177.39 178.43 1tuz n ILE 8 N -0.76 0.52 -1.13 -0.08 -5.35 -1.26 -4.68 119.36 106.63 1tuz n ILE 8 Ca 0.00 -0.58 0.13 0.00 -0.27 0.00 0.00 62.75 62.03 1tuz n ILE 8 Cb 0.01 0.57 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.34 -5.86 0.00 7.28 7.64 -1.26 -2.03 113.62 119.04 1tuz n SER 9 Ca 0.02 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.68 1tuz n SER 9 Cb 0.51 -3.61 0.58 0.00 -1.01 0.00 0.00 64.21 60.68 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 -3.49 0.34 0.04 1.43 -0.04 -1.26 -2.62 135.00 129.40 1tuz n PRO 10 Ca -0.02 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1tuz n PRO 10 Cb 0.62 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.56 -0.05 3.54 0.02 -1.99 -1.04 113.55 114.59 1tuz h SER 11 Ca 0.00 -0.85 -0.20 0.00 -0.84 0.00 0.00 61.79 59.89 1tuz h SER 11 Cb 0.21 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1tuz h SER 11 CO 0.00 1.36 -0.76 -0.78 -1.14 0.00 0.00 176.83 175.51 1tuz h ASP 12 N -0.16 0.75 -0.41 3.07 1.82 -1.30 -2.41 116.42 117.79 1tuz h ASP 12 Ca -0.12 -0.70 -0.03 0.00 -0.39 0.00 0.00 57.03 55.79 1tuz h ASP 12 Cb 1.56 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.32 1tuz h ASP 12 CO 0.15 1.35 0.15 0.15 -1.61 0.00 0.00 179.24 179.43 1tuz h PHE 13 N 0.23 0.63 0.33 0.28 3.04 -1.61 -1.06 116.94 118.78 1tuz h PHE 13 Ca -0.08 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 1tuz h PHE 13 Cb 1.42 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 1tuz h PHE 13 CO 0.11 0.57 -0.20 0.00 -2.02 0.00 0.00 178.31 176.77 1tuz h ALA 14 N 1.00 -0.50 -0.29 2.41 0.00 -1.23 0.54 119.26 121.19 1tuz h ALA 14 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1tuz h ALA 14 Cb 0.21 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1tuz h ALA 14 CO -0.01 -0.79 -0.24 0.37 0.00 0.00 0.00 179.25 178.58 1tuz h GLN 15 N -0.51 -0.22 -0.99 0.00 -0.00 -1.33 0.54 115.11 112.60 1tuz h GLN 15 Ca -0.04 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1tuz h GLN 15 Cb 0.42 0.05 -0.05 0.00 0.00 0.00 0.00 27.48 27.90 1tuz h GLN 15 CO 0.04 -0.15 0.66 1.25 0.00 0.00 0.00 178.83 180.63 1tuz h LEU 16 N -0.23 1.13 -1.54 -2.39 5.85 -0.95 0.92 115.31 118.10 1tuz h LEU 16 Ca 0.15 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1tuz h LEU 16 Cb 0.46 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1tuz h LEU 16 CO -0.42 0.81 -0.08 1.56 -0.34 0.00 0.00 178.44 179.97 1tuz h GLN 17 N 1.33 0.20 0.09 1.25 4.20 0.23 1.62 115.11 124.03 1tuz h GLN 17 Ca 0.37 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.88 1tuz h GLN 17 Cb -0.12 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.63 1tuz h GLN 17 CO -0.09 0.30 -0.76 -0.22 -0.67 0.00 0.00 178.83 177.38 1tuz h LYS 18 N 0.20 0.18 0.31 1.46 3.64 0.17 -3.07 116.57 119.46 1tuz h LYS 18 Ca 0.04 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1tuz h LYS 18 Cb 0.27 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1tuz h LYS 18 CO 0.01 1.15 -0.15 -0.92 -2.27 0.00 0.00 179.45 177.27 1tuz h TYR 19 N -0.58 -0.39 -0.54 1.91 3.20 0.11 -2.97 116.97 117.72 1tuz h TYR 19 Ca -0.16 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.86 1tuz h TYR 19 Cb 1.47 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 1tuz h TYR 19 CO 0.20 -0.05 0.47 0.00 -1.64 0.00 0.00 178.16 177.14 1tuz h MET 20 N -0.82 0.00 0.32 1.82 -0.00 0.22 -0.88 114.93 115.59 1tuz h MET 20 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 1tuz h MET 20 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1tuz h MET 20 CO 0.07 0.00 -0.15 0.93 -0.00 0.00 0.00 176.91 177.76 1tuz h GLU 21 N 0.00 -0.41 -0.79 -0.10 4.39 -1.42 -3.03 114.58 113.22 1tuz h GLU 21 Ca 0.25 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.17 1tuz h GLU 21 Cb 1.18 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.79 1tuz h GLU 21 CO -0.00 -0.15 0.11 -0.92 -1.16 0.00 0.00 179.01 176.88 1tuz h TYR 22 N -0.62 0.14 -3.92 4.33 3.20 -1.05 -3.39 116.97 115.66 1tuz h TYR 22 Ca -0.04 0.05 -0.49 0.00 3.14 0.00 0.00 58.73 61.39 1tuz h TYR 22 Cb 0.45 0.06 0.02 0.00 1.54 0.00 0.00 36.73 38.80 1tuz h TYR 22 CO -0.01 -0.20 0.42 0.45 -1.64 0.00 0.00 178.16 177.19 1tuz s SER 23 N -5.17 6.90 -0.01 -2.11 0.15 -1.14 -4.94 113.70 107.38 1tuz s SER 23 Ca -0.13 2.08 0.01 0.00 0.70 0.00 0.00 55.95 58.61 1tuz s SER 23 Cb 0.23 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 1tuz s SER 23 CO 0.76 -0.39 0.83 0.35 1.20 0.00 0.00 173.24 175.99 1tuz n THR 24 N 0.26 0.65 -1.81 6.45 -2.24 -1.26 -4.91 114.28 111.41 1tuz n THR 24 Ca 0.03 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.86 1tuz n THR 24 Cb 0.48 0.64 0.20 0.00 -2.10 0.00 0.00 70.33 69.56 1tuz n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tuz n LYS 25 N -0.35 -1.41 -4.18 -0.78 5.02 -1.26 -5.07 118.16 110.13 1tuz n LYS 25 Ca 0.01 -1.95 -0.34 0.00 -2.02 0.00 0.00 58.31 54.01 1tuz n LYS 25 Cb 0.38 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 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 -5.76 3.04 0.30 1.97 -0.14 -1.26 -4.99 119.74 112.90 1tuz s LYS 26 Ca 0.72 -0.45 0.13 0.00 -1.36 0.00 0.00 55.97 55.02 1tuz s LYS 26 Cb -0.02 -2.85 0.44 0.00 -1.68 0.00 0.00 37.83 33.72 1tuz s LYS 26 CO 0.51 0.67 1.64 -0.24 -0.76 0.00 0.00 175.35 177.17 1tuz h VAL 27 N 3.59 1.24 0.00 3.17 3.04 -1.97 -2.60 116.25 122.72 1tuz h VAL 27 Ca -0.50 -1.96 -0.03 0.00 -1.01 0.00 0.00 66.70 63.20 1tuz h VAL 27 Cb 1.19 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1tuz h VAL 27 CO 0.59 0.53 -0.15 0.77 -1.01 0.00 0.00 177.57 178.30 1tuz h SER 28 N 0.00 0.00 -0.19 3.17 4.64 -1.96 -0.53 113.55 118.68 1tuz h SER 28 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1tuz h SER 28 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1tuz h SER 28 CO 0.07 0.15 -0.58 0.44 -0.87 0.00 0.00 176.83 176.05 1tuz h ASP 29 N 0.00 0.84 1.04 4.97 5.19 -1.88 -2.34 116.42 124.24 1tuz h ASP 29 Ca -0.00 -0.59 -0.10 0.00 -0.62 0.00 0.00 57.03 55.72 1tuz h ASP 29 Cb 0.57 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1tuz h ASP 29 CO 0.02 1.28 -0.47 0.58 -3.12 0.00 0.00 179.24 177.53 1tuz h VAL 30 N 0.44 0.97 0.12 -1.35 2.07 -1.45 -2.96 116.25 114.09 1tuz h VAL 30 Ca -0.02 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1tuz h VAL 30 Cb 1.20 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1tuz h VAL 30 CO 0.12 0.46 -0.06 0.25 0.02 0.00 0.00 177.57 178.37 1tuz h LEU 31 N 0.00 -0.14 -1.83 2.57 5.85 -0.97 -2.41 115.31 118.39 1tuz h LEU 31 Ca -0.00 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1tuz h LEU 31 Cb 1.12 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1tuz h LEU 31 CO 0.06 0.11 0.21 0.07 -0.34 0.00 0.00 178.44 178.55 1tuz h LYS 32 N -0.39 0.20 -0.84 1.25 2.10 -1.42 0.21 116.57 117.69 1tuz h LYS 32 Ca -0.02 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.67 1tuz h LYS 32 Cb 0.31 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.54 1tuz h LYS 32 CO 0.03 0.14 0.53 -0.07 -2.00 0.00 0.00 179.45 178.07 1tuz h LEU 33 N 0.21 0.86 0.00 7.07 3.38 -1.26 0.73 115.31 126.30 1tuz h LEU 33 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1tuz h LEU 33 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1tuz h LEU 33 CO -0.02 0.57 -0.10 0.49 0.09 0.00 0.00 178.44 179.47 1tuz n PHE 34 N -4.60 0.53 -0.09 1.13 3.72 -0.06 0.56 117.46 118.66 1tuz n PHE 34 Ca 0.11 0.15 -0.18 0.00 -0.05 0.00 0.00 57.45 57.49 1tuz n PHE 34 Cb 0.13 -0.72 -0.11 0.00 -0.94 0.00 0.00 39.48 37.84 1tuz n PHE 34 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1tuz h GLU 35 N 0.00 0.00 0.00 -1.08 4.11 0.35 -3.22 114.58 114.73 1tuz h GLU 35 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1tuz h GLU 35 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1tuz h GLU 35 CO 0.00 0.89 -0.93 -0.25 0.07 0.00 0.00 179.01 178.78 1tuz n ASP 36 N -4.51 4.28 -4.23 3.06 9.92 0.23 -4.81 116.55 120.49 1tuz n ASP 36 Ca -0.23 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.72 1tuz n ASP 36 Cb 0.57 0.27 0.19 0.00 -0.64 0.00 0.00 41.12 41.51 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tuz n GLY 37 N 3.05 -2.50 0.14 0.44 0.00 0.19 -4.69 105.19 101.83 1tuz n GLY 37 Ca 0.00 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.25 1tuz n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tuz n GLU 38 N -2.55 0.12 0.00 1.61 0.28 -1.22 -0.46 120.64 118.42 1tuz n GLU 38 Ca 0.01 0.62 0.08 0.00 -0.16 0.00 0.00 57.16 57.71 1tuz n GLU 38 Cb 0.60 -1.91 0.45 0.00 1.43 0.00 0.00 31.44 32.01 1tuz n GLU 38 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1tuz n MET 39 N -2.17 0.97 0.00 3.44 2.81 -0.98 -2.70 117.12 118.49 1tuz n MET 39 Ca -0.01 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.01 1tuz n MET 39 Cb 0.03 -1.24 0.48 0.00 -0.71 0.00 0.00 33.22 31.78 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 -0.74 2.79 0.23 3.04 0.00 0.39 -3.53 120.51 122.69 1tuz n ALA 40 Ca 0.11 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.27 1tuz n ALA 40 Cb 0.05 -1.17 0.35 0.00 0.00 0.00 0.00 19.45 18.68 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 1.73 0.00 -1.41 0.00 2.10 -1.73 -3.21 116.57 114.07 1tuz h LYS 41 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 1tuz h LYS 41 Cb 0.48 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 31.42 1tuz h LYS 41 CO 0.00 0.05 -0.40 0.66 -2.00 0.00 0.00 179.45 177.76 1tuz n TYR 42 N -3.13 3.21 -4.02 0.07 4.01 -1.23 -4.98 117.16 111.09 1tuz n TYR 42 Ca 0.02 -2.81 -0.18 0.00 -0.16 0.00 0.00 57.90 54.77 1tuz n TYR 42 Cb 0.47 -0.37 -0.16 0.00 -0.31 0.00 0.00 39.34 38.97 1tuz n TYR 42 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1tuz s VAL 43 N -5.24 0.30 -0.91 -0.72 1.01 -1.21 -4.53 120.40 109.09 1tuz s VAL 43 Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1tuz s VAL 43 Cb 0.41 -0.37 0.23 0.00 0.00 0.00 0.00 36.38 36.66 1tuz s VAL 43 CO -0.17 0.17 0.85 -1.10 0.00 0.00 0.00 175.10 174.85 1tuz s GLN 44 N 0.92 3.66 1.66 2.72 -0.21 0.73 -4.91 119.66 124.24 1tuz s GLN 44 Ca -0.10 -2.83 0.00 0.00 0.02 0.00 0.00 55.36 52.44 1tuz s GLN 44 Cb -0.13 -4.34 0.00 0.00 1.00 0.00 0.00 33.01 29.53 1tuz s GLN 44 CO -0.01 -1.26 0.00 0.41 -2.12 0.00 0.00 175.29 172.31 1tuz n GLY 45 N 3.28 1.34 0.62 3.09 0.00 -1.26 -1.40 105.19 110.86 1tuz n GLY 45 Ca 0.18 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.53 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 4.39 0.67 -3.82 1.61 9.92 -1.26 -5.04 116.55 123.02 1tuz n ASP 46 Ca 0.00 -2.28 -0.16 0.00 -0.53 0.00 0.00 54.79 51.82 1tuz n ASP 46 Cb 0.00 -0.27 -0.16 0.00 -0.64 0.00 0.00 41.12 40.05 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 -0.65 0.24 0.13 2.24 0.00 -0.49 -3.87 121.76 119.36 1tuz s ALA 47 Ca 0.14 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.34 1tuz s ALA 47 Cb 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1tuz s ALA 47 CO -0.03 -0.06 -0.11 -1.50 0.00 0.00 0.00 175.76 174.06 1tuz s ILE 48 N 0.86 3.24 0.45 0.00 2.07 -0.51 -0.19 121.20 127.12 1tuz s ILE 48 Ca -0.08 -1.44 -0.03 0.00 -1.41 0.00 0.00 60.65 57.68 1tuz s ILE 48 Cb -0.12 -2.55 0.09 0.00 0.13 0.00 0.00 42.46 40.02 1tuz s ILE 48 CO -0.02 0.03 0.61 0.61 -1.91 0.00 0.00 174.94 174.26 1tuz n GLY 49 N 0.46 -0.02 0.38 1.50 0.00 -1.26 -0.47 105.19 105.78 1tuz n GLY 49 Ca -0.13 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.83 -0.86 -0.98 1.61 5.03 -1.88 0.81 116.97 119.88 1tuz h TYR 50 Ca -0.20 -0.02 0.26 0.00 2.58 0.00 0.00 58.73 61.35 1tuz h TYR 50 Cb 0.66 0.28 -0.06 0.00 1.55 0.00 0.00 36.73 39.16 1tuz h TYR 50 CO 0.00 -0.52 0.67 1.49 -1.32 0.00 0.00 178.16 178.48 1tuz h GLU 51 N -0.98 0.21 0.00 1.82 4.57 -1.94 0.88 114.58 119.13 1tuz h GLU 51 Ca -0.09 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 57.90 1tuz h GLU 51 Cb 0.73 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1tuz h GLU 51 CO 0.16 0.14 -0.81 0.78 -1.18 0.00 0.00 179.01 178.09 1tuz h GLY 52 N 0.22 0.00 0.20 1.92 0.00 -1.73 -2.75 103.07 100.94 1tuz h GLY 52 Ca 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1tuz h GLY 52 CO -0.13 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.61 1tuz h PHE 53 N 0.00 -0.13 -0.28 5.60 3.04 0.31 -2.96 116.94 122.51 1tuz h PHE 53 Ca -0.01 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.02 1tuz h PHE 53 Cb 1.51 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 1tuz h PHE 53 CO 0.00 0.29 0.21 -0.56 -2.02 0.00 0.00 178.31 176.24 1tuz h GLN 54 N -0.95 0.00 -0.24 1.11 -0.00 -0.67 0.12 115.11 114.48 1tuz h GLN 54 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.51 1tuz h GLN 54 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 1tuz h GLN 54 CO 0.02 0.00 -0.37 1.96 -0.00 0.00 0.00 178.83 180.45 1tuz h GLN 55 N 0.00 0.53 -0.45 0.06 1.08 -1.53 -3.06 115.11 111.74 1tuz h GLN 55 Ca 0.13 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1tuz h GLN 55 Cb 0.56 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 1tuz h GLN 55 CO -0.00 0.82 0.21 0.35 -0.95 0.00 0.00 178.83 179.26 1tuz h PHE 56 N 0.44 0.39 -0.09 2.96 3.04 -0.59 0.12 116.94 123.21 1tuz h PHE 56 Ca 0.05 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1tuz h PHE 56 Cb 0.85 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.24 1tuz h PHE 56 CO 0.03 0.19 0.23 -0.07 -2.02 0.00 0.00 178.31 176.67 1tuz h LEU 57 N 0.42 0.00 0.51 0.59 4.07 -1.45 1.75 115.31 121.20 1tuz h LEU 57 Ca 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 1tuz h LEU 57 Cb 0.12 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1tuz h LEU 57 CO -0.15 0.00 -0.25 0.50 -1.08 0.00 0.00 178.44 177.46 1tuz h LYS 58 N 0.00 -0.66 -0.06 1.13 3.64 -0.80 -2.85 116.57 116.97 1tuz h LYS 58 Ca 0.04 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1tuz h LYS 58 Cb 0.50 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1tuz h LYS 58 CO -0.00 -0.42 -0.17 0.82 -2.27 0.00 0.00 179.45 177.41 1tuz h ILE 59 N -1.16 1.44 0.00 2.00 5.03 -1.09 0.50 117.51 124.22 1tuz h ILE 59 Ca -0.07 -1.56 0.00 0.00 -0.12 0.00 0.00 64.86 63.11 1tuz h ILE 59 Cb 0.55 2.32 0.00 0.00 -3.03 0.00 0.00 36.82 36.65 1tuz h ILE 59 CO 0.12 0.43 0.00 0.00 -0.68 0.00 0.00 178.15 178.02 1tuz n TYR 60 N -4.59 0.00 1.03 1.37 9.36 0.58 -0.46 117.16 124.45 1tuz n TYR 60 Ca -0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.27 1tuz n TYR 60 Cb 0.41 -0.32 0.62 0.00 -0.63 0.00 0.00 39.34 39.41 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 -2.30 0.00 0.00 2.98 4.32 -1.07 -4.87 117.00 116.06 1tuz n LEU 61 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1tuz n LEU 61 Cb 0.00 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.33 1tuz n LEU 61 CO 0.00 -0.02 0.00 1.21 -1.22 0.00 0.00 177.39 177.36 1tuz n GLU 62 N -1.47 -0.59 -1.33 3.23 2.13 0.15 -4.83 120.64 117.95 1tuz n GLU 62 Ca 0.08 0.15 -0.36 0.00 0.66 0.00 0.00 57.16 57.69 1tuz n GLU 62 Cb 0.31 -3.68 0.08 0.00 0.27 0.00 0.00 31.44 28.42 1tuz n GLU 62 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1tuz n VAL 63 N -2.42 2.56 1.02 6.31 0.24 -0.02 -4.85 118.33 121.17 1tuz n VAL 63 Ca 0.00 -0.37 0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1tuz n VAL 63 Cb 0.15 -1.03 0.17 0.00 -1.47 0.00 0.00 33.84 31.65 1tuz n VAL 63 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1tuz n ASP 64 N -1.46 0.70 -3.24 -1.34 -0.08 -1.26 -4.61 116.55 105.25 1tuz n ASP 64 Ca 0.12 -0.51 0.04 0.00 -1.51 0.00 0.00 54.79 52.93 1tuz n ASP 64 Cb 0.50 0.43 -0.03 0.00 2.34 0.00 0.00 41.12 44.35 1tuz n ASP 64 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1tuz s ASN 65 N -2.95 -0.44 0.07 1.67 4.22 -1.26 -5.12 114.94 111.13 1tuz s ASN 65 Ca 0.11 0.44 -0.02 0.00 -2.14 0.00 0.00 52.86 51.25 1tuz s ASN 65 Cb 0.17 1.44 -0.05 0.00 1.28 0.00 0.00 41.25 44.09 1tuz s ASN 65 CO 0.72 -0.08 0.26 0.54 -2.04 0.00 0.00 177.10 176.50 1tuz s VAL 66 N 2.61 5.32 0.02 3.54 0.11 -1.26 -5.06 120.40 125.67 1tuz s VAL 66 Ca -0.01 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 1tuz s VAL 66 Cb -0.07 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 1tuz s VAL 66 CO -0.14 0.15 1.19 -2.16 -3.33 0.00 0.00 175.10 170.80 1tuz s PRO 67 N -2.42 4.41 0.57 1.54 0.04 -1.26 -4.90 135.00 132.98 1tuz s PRO 67 Ca 0.35 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.39 1tuz s PRO 67 Cb -0.13 -3.43 1.73 0.00 0.04 0.00 0.00 34.50 32.71 1tuz s PRO 67 CO 0.25 -0.31 2.22 0.07 0.04 0.00 0.00 177.00 179.27 1tuz h ARG 68 N 7.05 0.00 -0.25 4.56 0.11 -1.97 -0.62 114.38 123.25 1tuz h ARG 68 Ca -0.39 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.71 1tuz h ARG 68 Cb 1.20 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.25 1tuz h ARG 68 CO 0.83 0.02 0.11 1.25 0.10 0.00 0.00 179.97 182.28 1tuz h HIS 69 N 0.00 0.20 -0.02 4.08 2.76 -1.98 1.49 115.15 121.68 1tuz h HIS 69 Ca -0.00 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1tuz h HIS 69 Cb 0.05 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 28.97 1tuz h HIS 69 CO 0.00 0.11 -0.33 1.25 -1.30 0.00 0.00 177.93 177.65 1tuz h LEU 70 N 0.24 0.33 -2.40 0.26 5.85 -1.74 -2.58 115.31 115.27 1tuz h LEU 70 Ca 0.11 -0.73 -0.00 0.00 0.84 0.00 0.00 57.88 58.09 1tuz h LEU 70 Cb 0.05 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1tuz h LEU 70 CO -0.09 1.01 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.73 1tuz h SER 71 N -0.33 0.00 -0.01 1.25 0.87 -0.96 1.00 113.55 115.38 1tuz h SER 71 Ca -0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1tuz h SER 71 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1tuz h SER 71 CO 0.07 0.02 -0.06 0.25 -0.53 0.00 0.00 176.83 176.57 1tuz h LEU 72 N 0.00 0.07 -0.80 2.23 5.85 0.22 -2.30 115.31 120.58 1tuz h LEU 72 Ca -0.00 -0.67 -0.13 0.00 0.84 0.00 0.00 57.88 57.92 1tuz h LEU 72 Cb 0.04 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1tuz h LEU 72 CO 0.00 0.73 -0.59 0.00 -0.34 0.00 0.00 178.44 178.25 1tuz h ALA 73 N 0.34 1.01 -0.28 1.25 0.00 -0.93 0.57 119.26 121.21 1tuz h ALA 73 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1tuz h ALA 73 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1tuz h ALA 73 CO 0.01 0.73 0.17 -0.07 0.00 0.00 0.00 179.25 180.09 1tuz h LEU 74 N 0.03 0.34 -0.05 0.00 3.38 0.10 -0.59 115.31 118.52 1tuz h LEU 74 Ca -0.01 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 1tuz h LEU 74 Cb 1.04 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.72 1tuz h LEU 74 CO 0.08 0.28 -0.85 0.15 0.09 0.00 0.00 178.44 178.19 1tuz h PHE 75 N 0.36 0.96 -0.99 1.13 3.57 -1.29 -3.12 116.94 117.57 1tuz h PHE 75 Ca 0.10 -0.49 0.14 0.00 3.53 0.00 0.00 57.97 61.26 1tuz h PHE 75 Cb 0.01 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.53 1tuz h PHE 75 CO -0.05 1.31 0.61 1.96 -2.23 0.00 0.00 178.31 179.92 1tuz h GLN 76 N 0.34 0.88 -0.03 1.11 4.20 -0.71 -1.20 115.11 119.70 1tuz h GLN 76 Ca -0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1tuz h GLN 76 Cb 1.51 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1tuz h GLN 76 CO 0.17 0.58 0.02 0.66 -0.67 0.00 0.00 178.83 179.59 1tuz h SER 77 N 0.91 0.04 -3.42 1.46 4.64 -1.11 -3.38 113.55 112.69 1tuz h SER 77 Ca 0.52 -0.13 -0.73 0.00 -0.47 0.00 0.00 61.79 60.98 1tuz h SER 77 Cb 0.61 -0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 62.46 1tuz h SER 77 CO -0.30 0.16 -0.40 -0.36 -0.87 0.00 0.00 176.83 175.06 1tuz s PHE 78 N -5.68 3.25 -0.29 4.77 0.08 -0.45 -4.97 117.98 114.69 1tuz s PHE 78 Ca -0.14 -0.89 -0.04 0.00 0.12 0.00 0.00 56.93 55.98 1tuz s PHE 78 Cb 0.05 -2.86 0.16 0.00 -0.57 0.00 0.00 43.02 39.80 1tuz s PHE 78 CO 0.67 -0.72 0.60 -2.00 -0.10 0.00 0.00 175.22 173.67 1tuz s GLU 79 N 1.62 0.55 0.57 0.44 2.12 -1.24 -4.71 118.70 118.05 1tuz s GLU 79 Ca 0.04 1.13 0.37 0.00 0.36 0.00 0.00 54.97 56.87 1tuz s GLU 79 Cb -0.22 0.60 1.74 0.00 0.26 0.00 0.00 34.13 36.52 1tuz s GLU 79 CO 0.07 -0.47 2.10 0.00 -0.54 0.00 0.00 175.26 176.43 1tuz h THR 80 N 6.02 0.00 0.00 -1.70 1.03 -1.95 -3.30 112.91 113.01 1tuz h THR 80 Ca -0.21 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1tuz h THR 80 Cb 1.14 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 1tuz h THR 80 CO 0.20 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.32 1tuz n GLY 81 N -0.44 -3.11 1.78 2.99 0.00 -1.26 -5.00 105.19 100.15 1tuz n GLY 81 Ca -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.63 -0.83 -3.64 1.61 -0.00 -1.24 -5.10 115.22 105.39 1tuz n HIS 82 Ca 0.00 0.35 -0.04 0.00 0.46 0.00 0.00 57.72 58.50 1tuz n HIS 82 Cb 0.00 -2.07 -0.07 0.00 -0.12 0.00 0.00 29.99 27.74 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 3.98 5.61 0.00 0.00 7.99 -1.26 -4.82 117.00 128.50 1tuz n LEU 84 Ca -0.19 -4.90 0.00 0.00 -0.01 0.00 0.00 56.01 50.91 1tuz n LEU 84 Cb 0.58 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1tuz n LEU 84 CO 0.01 2.03 0.00 0.59 -1.51 0.00 0.00 177.39 178.50 1tuz n ASN 85 N -0.61 0.00 0.00 -1.43 3.02 -1.26 -5.17 115.26 109.81 1tuz n ASN 85 Ca 0.46 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1tuz n ASN 85 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1tuz n ASN 85 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1tuz n GLU 86 N 0.00 0.00 -1.03 3.52 2.13 -1.26 -5.09 120.64 118.91 1tuz n GLU 86 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1tuz n GLU 86 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1tuz n GLU 86 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1tuz n THR 87 N 0.00 0.00 -2.73 6.31 5.66 -1.26 -5.07 114.28 117.19 1tuz n THR 87 Ca 0.00 -0.08 -0.01 0.00 -3.05 0.00 0.00 64.05 60.90 1tuz n THR 87 Cb 0.00 0.30 0.02 0.00 -1.55 0.00 0.00 70.33 69.10 1tuz n THR 87 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1tuz s ASN 88 N -0.26 -0.45 -0.90 1.09 2.47 -1.26 -5.09 114.94 110.55 1tuz s ASN 88 Ca 0.01 -0.41 -0.03 0.00 0.42 0.00 0.00 52.86 52.84 1tuz s ASN 88 Cb 0.04 0.58 0.22 0.00 -1.45 0.00 0.00 41.25 40.64 1tuz s ASN 88 CO -0.01 -0.03 0.80 -0.69 -3.72 0.00 0.00 177.10 173.45 1tuz s VAL 89 N 1.34 4.60 0.00 -5.21 1.01 -1.26 -4.62 120.40 116.27 1tuz s VAL 89 Ca 0.21 -3.68 0.00 0.00 0.00 0.00 0.00 61.98 58.51 1tuz s VAL 89 Cb 0.08 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1tuz s VAL 89 CO -0.11 -1.08 0.00 1.07 0.00 0.00 0.00 175.10 174.97 1tuz n THR 90 N 2.54 0.00 -3.31 3.92 5.66 -1.26 -4.98 114.28 116.85 1tuz n THR 90 Ca 0.20 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.74 1tuz n THR 90 Cb 0.38 -0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 68.88 1tuz n THR 90 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1tuz s LYS 91 N -1.43 3.50 -0.23 1.09 3.01 -1.26 -4.82 119.74 119.61 1tuz s LYS 91 Ca 0.00 -2.31 -0.06 0.00 -1.01 0.00 0.00 55.97 52.59 1tuz s LYS 91 Cb 0.00 -4.42 0.11 0.00 -1.01 0.00 0.00 37.83 32.51 1tuz s LYS 91 CO 0.00 -1.31 0.45 0.34 0.51 0.00 0.00 175.35 175.34 1tuz s ASP 92 N 2.45 -0.35 0.26 2.83 -1.08 -1.26 -5.12 116.67 114.39 1tuz s ASP 92 Ca 0.16 0.88 0.08 0.00 -0.52 0.00 0.00 52.55 53.15 1tuz s ASP 92 Cb -0.13 1.49 -0.04 0.00 -1.46 0.00 0.00 42.92 42.78 1tuz s ASP 92 CO -0.07 -0.25 0.16 0.68 0.52 0.00 0.00 175.17 176.21 1tuz s VAL 93 N 2.66 4.21 0.12 1.11 -7.23 -1.26 -3.90 120.40 116.11 1tuz s VAL 93 Ca 0.03 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1tuz s VAL 93 Cb -0.13 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1tuz s VAL 93 CO -0.15 -0.35 -0.02 0.54 -0.31 0.00 0.00 175.10 174.82 1tuz s VAL 94 N -2.18 0.51 0.21 1.32 0.11 0.38 -4.08 120.40 116.66 1tuz s VAL 94 Ca 0.33 -1.93 -0.30 0.00 -2.93 0.00 0.00 61.98 57.15 1tuz s VAL 94 Cb -0.07 -1.86 -0.08 0.00 -1.53 0.00 0.00 36.38 32.83 1tuz s VAL 94 CO 0.24 -0.69 1.13 0.00 -3.33 0.00 0.00 175.10 172.45 1tuz h LEU 96 N 4.80 0.87 -1.10 0.00 3.38 -1.96 -3.17 115.31 118.15 1tuz h LEU 96 Ca -0.45 -0.84 0.04 0.00 0.09 0.00 0.00 57.88 56.72 1tuz h LEU 96 Cb 1.21 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 1tuz h LEU 96 CO 0.72 1.64 0.61 -0.55 0.09 0.00 0.00 178.44 180.95 1tuz h ASN 97 N 0.24 0.99 -0.75 -0.43 7.08 -1.92 0.45 115.58 121.25 1tuz h ASN 97 Ca -0.21 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.01 1tuz h ASN 97 Cb 1.99 -0.22 -0.04 0.00 -2.08 0.00 0.00 38.32 37.97 1tuz h ASN 97 CO 0.25 0.67 0.48 -0.78 -2.08 0.00 0.00 177.43 175.97 1tuz h ASP 98 N 1.14 0.87 -0.03 6.14 1.82 -1.96 -0.85 116.42 123.55 1tuz h ASP 98 Ca 0.38 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.92 1tuz h ASP 98 Cb 0.07 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.86 1tuz h ASP 98 CO -0.12 0.64 -0.26 0.58 -1.61 0.00 0.00 179.24 178.47 1tuz h VAL 99 N 1.02 1.49 -0.08 2.25 2.07 -0.98 -3.00 116.25 119.02 1tuz h VAL 99 Ca 0.27 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 66.01 1tuz h VAL 99 Cb -0.10 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1tuz h VAL 99 CO -0.06 0.50 0.29 -1.28 0.02 0.00 0.00 177.57 177.04 1tuz h SER 100 N -0.36 0.00 -0.09 0.57 0.87 0.28 0.29 113.55 115.10 1tuz h SER 100 Ca -0.02 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1tuz h SER 100 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1tuz h SER 100 CO 0.05 0.00 -0.26 0.00 -0.53 0.00 0.00 176.83 176.09 1tuz h TYR 102 N -0.13 -0.43 -0.65 0.00 3.20 -0.42 0.18 116.97 118.71 1tuz h TYR 102 Ca -0.01 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1tuz h TYR 102 Cb 0.88 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1tuz h TYR 102 CO 0.12 -0.25 0.10 0.74 -1.64 0.00 0.00 178.16 177.23 1tuz h PHE 103 N -0.32 1.15 -0.99 -3.82 0.04 -1.49 -0.74 116.94 110.77 1tuz h PHE 103 Ca 0.03 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.66 1tuz h PHE 103 Cb 0.34 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 1tuz h PHE 103 CO -0.18 0.97 0.65 1.03 -0.60 0.00 0.00 178.31 180.19 1tuz h SER 104 N 1.00 1.11 -0.10 2.17 0.87 -0.43 -1.29 113.55 116.88 1tuz h SER 104 Ca 0.20 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.58 1tuz h SER 104 Cb 0.44 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1tuz h SER 104 CO 0.01 0.78 -0.48 0.25 -0.53 0.00 0.00 176.83 176.86 1tuz h LEU 105 N 1.30 0.72 0.15 2.23 5.85 -0.32 -1.18 115.31 124.05 1tuz h LEU 105 Ca 0.38 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1tuz h LEU 105 Cb -0.07 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1tuz h LEU 105 CO -0.10 1.08 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.84 1tuz h LEU 106 N 0.52 -0.46 -0.96 2.25 4.07 -0.05 1.15 115.31 121.83 1tuz h LEU 106 Ca 0.03 0.04 0.12 0.00 0.08 0.00 0.00 57.88 58.14 1tuz h LEU 106 Cb 1.03 0.15 -0.08 0.00 1.08 0.00 0.00 40.66 42.84 1tuz h LEU 106 CO 0.10 -0.21 0.59 -0.33 -1.08 0.00 0.00 178.44 177.50 1tuz h GLU 107 N -0.32 0.91 -1.56 1.13 5.08 -1.38 -0.92 114.58 117.51 1tuz h GLU 107 Ca -0.02 -0.05 -0.72 0.00 -1.00 0.00 0.00 59.36 57.57 1tuz h GLU 107 Cb 0.28 -0.21 -0.30 0.00 0.50 0.00 0.00 28.75 29.03 1tuz h GLU 107 CO -0.03 0.60 0.78 0.41 -1.00 0.00 0.00 179.01 179.77 1tuz n GLY 108 N -1.34 5.72 0.00 -3.84 0.00 -0.45 -4.28 105.19 101.00 1tuz n GLY 108 Ca 0.18 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.67 0.00 3.87 -0.02 0.00 0.39 -4.73 105.19 104.03 1tuz n GLY 109 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 3.74 0.66 1.61 1.04 -0.47 -4.70 118.95 120.83 1tuz s ARG 110 Ca 0.00 0.16 -0.12 0.00 -1.04 0.00 0.00 55.73 54.73 1tuz s ARG 110 Cb 0.00 -3.06 -0.01 0.00 -2.04 0.00 0.00 34.95 29.84 1tuz s ARG 110 CO 0.00 0.61 1.06 -1.25 -0.04 0.00 0.00 175.30 175.67 1tuz s PRO 111 N -1.70 3.09 0.09 3.89 0.04 -1.26 -4.98 135.00 134.17 1tuz s PRO 111 Ca 0.30 1.02 0.22 0.00 0.04 0.00 0.00 61.00 62.58 1tuz s PRO 111 Cb -0.14 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 1tuz s PRO 111 CO 0.16 -0.98 0.78 0.39 0.04 0.00 0.00 177.00 177.39 1tuz n GLU 112 N -2.76 0.63 -3.59 4.56 1.02 -1.26 -4.53 120.64 114.72 1tuz n GLU 112 Ca 0.08 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.95 1tuz n GLU 112 Cb 0.53 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 1tuz n GLU 112 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1tuz n ASP 113 N -2.53 2.42 -3.92 1.62 8.00 -1.26 -5.10 116.55 115.78 1tuz n ASP 113 Ca -0.03 -3.11 -0.30 0.00 0.71 0.00 0.00 54.79 52.07 1tuz n ASP 113 Cb 0.60 -0.69 0.25 0.00 -0.02 0.00 0.00 41.12 41.26 1tuz n ASP 113 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1tuz s LYS 114 N -1.54 -1.52 1.20 -1.24 0.00 -1.26 -5.01 119.74 110.36 1tuz s LYS 114 Ca 0.32 0.20 -0.19 0.00 0.00 0.00 0.00 55.97 56.30 1tuz s LYS 114 Cb 0.06 -1.54 0.29 0.00 0.00 0.00 0.00 37.83 36.64 1tuz s LYS 114 CO -0.12 -3.97 1.11 -0.51 0.00 0.00 0.00 175.35 171.87 1tuz s LEU 115 N -7.21 0.72 -0.12 2.77 1.02 -1.26 -5.08 118.68 109.51 1tuz s LEU 115 Ca 0.69 0.61 -0.06 0.00 0.02 0.00 0.00 54.13 55.38 1tuz s LEU 115 Cb -0.14 -2.33 0.05 0.00 0.02 0.00 0.00 46.19 43.79 1tuz s LEU 115 CO 0.58 -4.13 0.29 -1.61 0.02 0.00 0.00 176.35 171.51 1tuz s GLU 116 N -5.43 0.26 0.00 1.70 2.02 -1.26 -5.00 118.70 110.99 1tuz s GLU 116 Ca 0.71 0.61 0.28 0.00 0.02 0.00 0.00 54.97 56.59 1tuz s GLU 116 Cb -0.09 -0.09 1.02 0.00 0.10 0.00 0.00 34.13 35.07 1tuz s GLU 116 CO 0.56 -0.17 1.76 0.91 0.02 0.00 0.00 175.26 178.34 1tuz n TRP 117 N 4.29 0.00 1.71 1.61 7.02 -1.26 -5.33 117.44 125.48 1tuz n TRP 117 Ca -0.24 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.39 1tuz n TRP 117 Cb 0.53 -0.33 0.71 0.00 -2.42 0.00 0.00 31.31 29.80 1tuz n TRP 117 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10