#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ut4 n SER -2 N 0.00 -1.54 -4.64 1.61 2.88 -1.26 -4.89 113.62 105.78 1ut4 n SER -2 Ca 0.00 0.59 -0.41 0.00 -1.33 0.00 0.00 58.87 57.71 1ut4 n SER -2 Cb 0.00 -1.17 -0.05 0.00 -0.75 0.00 0.00 64.21 62.24 1ut4 n SER -2 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1ut4 s HIS -1 N -1.91 3.31 -0.32 0.66 2.46 -1.26 -5.01 115.29 113.22 1ut4 s HIS -1 Ca 0.64 1.06 -0.10 0.00 0.47 0.00 0.00 55.06 57.14 1ut4 s HIS -1 Cb -0.36 -3.00 -0.00 0.00 -0.13 0.00 0.00 32.58 29.09 1ut4 s HIS -1 CO 0.59 -0.37 0.15 -1.64 -2.47 0.00 0.00 174.74 171.00 1ut4 s MET 1 N 2.71 3.27 0.57 2.88 1.00 -1.26 -5.09 119.30 123.39 1ut4 s MET 1 Ca 0.33 -0.76 0.09 0.00 0.00 0.00 0.00 55.69 55.35 1ut4 s MET 1 Cb -0.15 -3.57 0.08 0.00 0.00 0.00 0.00 34.83 31.19 1ut4 s MET 1 CO 0.08 -0.44 0.74 0.20 0.00 0.00 0.00 175.02 175.59 1ut4 s GLY 2 N 1.60 1.82 -0.07 -0.03 0.00 -1.26 -5.12 107.32 104.26 1ut4 s GLY 2 Ca 0.04 -2.02 0.02 0.00 0.00 0.00 0.00 44.72 42.76 1ut4 s GLY 2 CO 0.06 -1.73 -0.12 -0.42 0.00 0.00 0.00 173.10 170.89 1ut4 s ILE 3 N -2.69 1.13 -0.67 0.90 1.01 -1.26 -5.11 121.20 114.52 1ut4 s ILE 3 Ca 0.58 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 1ut4 s ILE 3 Cb -0.05 -1.04 0.12 0.00 0.01 0.00 0.00 42.46 41.50 1ut4 s ILE 3 CO 0.36 0.35 0.79 -1.58 0.00 0.00 0.00 174.94 174.87 1ut4 s GLN 4 N 0.66 3.18 0.15 2.79 0.74 -1.26 -4.97 119.66 120.96 1ut4 s GLN 4 Ca -0.15 -1.47 -0.30 0.00 0.05 0.00 0.00 55.36 53.50 1ut4 s GLN 4 Cb -0.16 -4.37 -0.05 0.00 1.10 0.00 0.00 33.01 29.53 1ut4 s GLN 4 CO 0.04 -1.57 1.56 0.93 -0.55 0.00 0.00 175.29 175.70 1ut4 h GLU 5 N 9.02 -0.30 -5.28 1.67 5.08 -2.08 -3.44 114.58 119.25 1ut4 h GLU 5 Ca -0.19 0.02 -0.43 0.00 -1.00 0.00 0.00 59.36 57.76 1ut4 h GLU 5 Cb 1.07 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 1ut4 h GLU 5 CO 1.07 -0.20 -0.67 0.99 -1.00 0.00 0.00 179.01 179.20 1ut4 s THR 6 N -5.72 1.33 -0.11 1.13 2.01 -1.26 -5.16 115.64 107.86 1ut4 s THR 6 Ca -0.14 -2.08 0.01 0.00 0.31 0.00 0.00 61.69 59.78 1ut4 s THR 6 Cb 0.10 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.29 1ut4 s THR 6 CO 0.63 -0.35 -0.11 1.51 -0.69 0.00 0.00 174.62 175.62 1ut4 s ASP 7 N -3.36 2.20 1.05 3.53 -4.77 -1.26 -5.24 116.67 108.82 1ut4 s ASP 7 Ca 0.28 -0.35 -0.17 0.00 -3.30 0.00 0.00 52.55 49.01 1ut4 s ASP 7 Cb 0.04 -0.92 0.06 0.00 -1.09 0.00 0.00 42.92 41.01 1ut4 s ASP 7 CO 0.09 -0.06 0.03 -2.65 0.70 0.00 0.00 175.17 173.29 1ut4 n PRO 8 N 4.57 -1.02 0.00 2.11 -0.02 -1.26 -5.12 135.00 134.26 1ut4 n PRO 8 Ca -0.16 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 1ut4 n PRO 8 Cb 0.51 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1ut4 n PRO 8 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ut4 n LEU 14 N -1.11 0.00 -4.72 2.45 4.77 -1.26 -5.22 117.00 111.91 1ut4 n LEU 14 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1ut4 n LEU 14 Cb 0.60 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 1ut4 n LEU 14 CO 0.51 0.00 0.74 -2.84 -1.33 0.00 0.00 177.39 174.47 1ut4 s PRO 15 N 0.00 1.94 0.48 3.23 0.02 -1.26 -4.97 135.00 134.43 1ut4 s PRO 15 Ca 0.00 1.56 -0.24 0.00 0.02 0.00 0.00 61.00 62.34 1ut4 s PRO 15 Cb 0.00 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 1ut4 s PRO 15 CO 0.00 -1.95 1.30 -2.30 -0.33 0.00 0.00 177.00 173.73 1ut4 n PRO 16 N -3.22 1.83 0.00 5.54 -0.02 -1.26 -3.31 135.00 134.56 1ut4 n PRO 16 Ca 0.12 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1ut4 n PRO 16 Cb 0.51 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1ut4 n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ut4 n GLY 17 N 0.79 2.42 3.69 -1.23 0.00 -1.26 -5.04 105.19 104.56 1ut4 n GLY 17 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ut4 n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ut4 s PHE 18 N -2.57 3.50 0.12 1.61 0.08 -1.21 -5.04 117.98 114.48 1ut4 s PHE 18 Ca 0.00 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1ut4 s PHE 18 Cb 0.00 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1ut4 s PHE 18 CO 0.00 -0.14 0.00 1.03 -0.10 0.00 0.00 175.22 176.01 1ut4 s ARG 19 N 1.71 0.89 -0.49 0.44 0.52 -1.26 -5.01 118.95 115.75 1ut4 s ARG 19 Ca 0.42 -1.40 -0.21 0.00 -0.52 0.00 0.00 55.73 54.02 1ut4 s ARG 19 Cb -0.18 0.03 0.04 0.00 0.52 0.00 0.00 34.95 35.36 1ut4 s ARG 19 CO 0.16 -0.16 0.69 0.12 0.02 0.00 0.00 175.30 176.14 1ut4 s PHE 20 N -3.85 3.00 -0.48 -0.53 5.36 -1.26 -4.91 117.98 115.32 1ut4 s PHE 20 Ca 0.18 -0.27 0.07 0.00 -0.96 0.00 0.00 56.93 55.95 1ut4 s PHE 20 Cb 0.07 -3.58 0.24 0.00 -0.34 0.00 0.00 43.02 39.41 1ut4 s PHE 20 CO -0.01 -1.04 0.58 0.66 -1.46 0.00 0.00 175.22 173.95 1ut4 n TYR 21 N 6.46 0.96 -2.68 10.12 4.01 -1.26 -5.07 117.16 129.70 1ut4 n TYR 21 Ca -0.03 -3.75 -0.35 0.00 -0.16 0.00 0.00 57.90 53.60 1ut4 n TYR 21 Cb 0.47 -0.39 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 1ut4 n TYR 21 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ut4 s PRO 22 N -1.53 4.21 0.75 -0.72 0.04 -1.26 -5.05 135.00 131.45 1ut4 s PRO 22 Ca 0.36 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 1ut4 s PRO 22 Cb 0.15 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 32.33 1ut4 s PRO 22 CO -0.09 -0.07 1.09 0.95 0.04 0.00 0.00 177.00 178.93 1ut4 s THR 23 N -1.87 3.40 0.39 1.26 -4.23 -1.26 -4.90 115.64 108.44 1ut4 s THR 23 Ca 0.59 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.63 1ut4 s THR 23 Cb -0.16 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.69 1ut4 s THR 23 CO 0.21 -0.59 2.01 0.44 -0.54 0.00 0.00 174.62 176.14 1ut4 h ASP 24 N -0.88 0.53 -0.17 3.99 3.32 -2.00 -1.97 116.42 119.25 1ut4 h ASP 24 Ca -0.46 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.43 1ut4 h ASP 24 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ut4 h ASP 24 CO 0.60 0.36 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.92 1ut4 h GLU 25 N 0.62 0.74 -0.54 3.56 4.81 -1.92 -2.36 114.58 119.49 1ut4 h GLU 25 Ca 0.23 -0.43 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 1ut4 h GLU 25 Cb 0.16 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1ut4 h GLU 25 CO -0.06 1.05 -0.13 0.93 -0.73 0.00 0.00 179.01 180.07 1ut4 h GLU 26 N 0.58 1.04 -0.51 1.92 5.08 -1.82 -0.93 114.58 119.94 1ut4 h GLU 26 Ca 0.03 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1ut4 h GLU 26 Cb 1.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1ut4 h GLU 26 CO 0.10 1.09 0.30 -0.07 -1.00 0.00 0.00 179.01 179.43 1ut4 h LEU 27 N 0.91 0.61 0.13 1.33 3.38 -1.27 -0.38 115.31 120.03 1ut4 h LEU 27 Ca 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ut4 h LEU 27 Cb 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ut4 h LEU 27 CO 0.05 0.50 -0.06 0.24 0.09 0.00 0.00 178.44 179.26 1ut4 h MET 28 N 0.68 -0.16 0.10 1.13 2.86 -1.37 -1.07 114.93 117.10 1ut4 h MET 28 Ca 0.18 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1ut4 h MET 28 Cb -0.00 0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.71 1ut4 h MET 28 CO -0.03 0.21 -0.62 0.28 1.06 0.00 0.00 176.91 177.81 1ut4 h VAL 29 N -0.57 1.58 0.00 -2.22 2.07 -1.15 0.18 116.25 116.15 1ut4 h VAL 29 Ca -0.02 -2.48 -0.09 0.00 0.82 0.00 0.00 66.70 64.93 1ut4 h VAL 29 Cb 0.45 3.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1ut4 h VAL 29 CO 0.03 0.69 -0.98 1.56 0.02 0.00 0.00 177.57 178.89 1ut4 h GLN 30 N -0.51 0.00 0.00 1.57 1.08 -1.25 -3.25 115.11 112.75 1ut4 h GLN 30 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1ut4 h GLN 30 Cb 1.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 1ut4 h GLN 30 CO 0.12 0.23 0.00 0.66 -0.95 0.00 0.00 178.83 178.89 1ut4 n TYR 31 N -2.93 0.00 0.07 2.96 4.01 -1.12 -4.59 117.16 115.57 1ut4 n TYR 31 Ca -0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.58 1ut4 n TYR 31 Cb 0.71 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.66 1ut4 n TYR 31 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ut4 h LEU 32 N 0.00 -0.11 -0.57 7.72 5.85 -1.08 -2.03 115.31 125.09 1ut4 h LEU 32 Ca 0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1ut4 h LEU 32 Cb 0.00 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1ut4 h LEU 32 CO 0.00 0.04 0.33 0.00 -0.34 0.00 0.00 178.44 178.46 1ut4 h ARG 34 N 0.63 1.11 -0.42 0.00 3.08 -1.55 -1.28 114.38 115.96 1ut4 h ARG 34 Ca 0.24 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1ut4 h ARG 34 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ut4 h ARG 34 CO -0.13 0.87 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.20 1ut4 h LYS 35 N 1.09 0.84 -0.39 0.04 3.64 -1.20 -1.57 116.57 119.01 1ut4 h LYS 35 Ca 0.26 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1ut4 h LYS 35 Cb 0.13 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1ut4 h LYS 35 CO -0.03 0.97 -0.12 0.00 -2.27 0.00 0.00 179.45 178.00 1ut4 h ALA 36 N 1.02 1.05 0.00 5.00 0.00 -0.99 -2.05 119.26 123.29 1ut4 h ALA 36 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ut4 h ALA 36 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ut4 h ALA 36 CO 0.06 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1ut4 n ALA 37 N -2.48 2.20 -1.08 0.00 0.00 -0.51 -4.87 120.51 113.77 1ut4 n ALA 37 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1ut4 n ALA 37 Cb 0.36 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1ut4 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ut4 n GLY 38 N 0.29 0.60 3.77 0.00 0.00 -0.77 -5.01 105.19 104.06 1ut4 n GLY 38 Ca 0.14 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1ut4 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ut4 s TYR 39 N -2.04 3.05 0.59 1.61 2.02 -0.61 -5.03 117.35 116.93 1ut4 s TYR 39 Ca 0.00 1.56 -0.16 0.00 -0.37 0.00 0.00 57.07 58.11 1ut4 s TYR 39 Cb 0.00 -3.35 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1ut4 s TYR 39 CO 0.00 -1.26 1.05 0.34 -1.57 0.00 0.00 175.55 174.11 1ut4 s ASP 40 N -1.27 5.88 0.02 2.29 2.15 -1.26 -4.63 116.67 119.85 1ut4 s ASP 40 Ca 0.59 1.78 0.08 0.00 0.43 0.00 0.00 52.55 55.43 1ut4 s ASP 40 Cb -0.29 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.78 1ut4 s ASP 40 CO 0.36 -1.10 -0.22 -0.36 -0.17 0.00 0.00 175.17 173.67 1ut4 s PHE 41 N -2.49 2.44 0.21 -5.34 0.40 -1.26 -5.05 117.98 106.89 1ut4 s PHE 41 Ca 0.63 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.46 1ut4 s PHE 41 Cb -0.15 -1.46 0.21 0.00 0.51 0.00 0.00 43.02 42.13 1ut4 s PHE 41 CO 0.37 0.14 1.61 0.77 0.70 0.00 0.00 175.22 178.80 1ut4 h SER 42 N 4.91 -0.81 -4.41 1.36 0.02 -2.04 -3.43 113.55 109.16 1ut4 h SER 42 Ca -0.46 0.21 -0.33 0.00 -0.84 0.00 0.00 61.79 60.37 1ut4 h SER 42 Cb 1.14 0.47 -0.18 0.00 0.14 0.00 0.00 62.40 63.97 1ut4 h SER 42 CO 0.46 -0.25 -0.74 -0.76 -1.14 0.00 0.00 176.83 174.40 1ut4 s LEU 43 N -10.83 2.38 -0.36 5.07 1.43 -1.26 -5.10 118.68 110.00 1ut4 s LEU 43 Ca -0.14 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 51.90 1ut4 s LEU 43 Cb 0.19 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 46.09 1ut4 s LEU 43 CO 0.72 -0.23 1.15 -1.58 0.23 0.00 0.00 176.35 176.64 1ut4 s GLN 44 N -2.57 3.93 -0.17 1.70 0.74 -1.26 -4.82 119.66 117.21 1ut4 s GLN 44 Ca 0.03 0.98 -0.06 0.00 0.05 0.00 0.00 55.36 56.36 1ut4 s GLN 44 Cb -0.04 -3.82 -0.08 0.00 1.10 0.00 0.00 33.01 30.17 1ut4 s GLN 44 CO 0.00 -1.09 -0.20 1.28 -0.55 0.00 0.00 175.29 174.73 1ut4 n LEU 45 N 7.34 1.62 -4.36 3.68 4.77 -1.26 -4.93 117.00 123.85 1ut4 n LEU 45 Ca 0.13 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1ut4 n LEU 45 Cb 0.47 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1ut4 n LEU 45 CO 0.64 0.45 -0.09 -0.63 -1.33 0.00 0.00 177.39 176.43 1ut4 s ILE 46 N -2.32 4.72 0.52 -0.08 1.01 -1.26 -4.27 121.20 119.53 1ut4 s ILE 46 Ca -0.23 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.29 1ut4 s ILE 46 Cb 0.08 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1ut4 s ILE 46 CO 0.32 -0.39 0.91 0.00 0.00 0.00 0.00 174.94 175.78 1ut4 s ALA 47 N 1.56 3.22 0.11 9.38 0.00 -1.26 -4.66 121.76 130.10 1ut4 s ALA 47 Ca 0.03 -0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.58 1ut4 s ALA 47 Cb -0.21 -2.89 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 1ut4 s ALA 47 CO 0.06 -0.38 0.80 -1.21 0.00 0.00 0.00 175.76 175.03 1ut4 s GLU 48 N -4.58 4.56 -0.01 0.00 2.02 -1.26 -1.52 118.70 117.92 1ut4 s GLU 48 Ca 0.53 1.17 -0.27 0.00 0.02 0.00 0.00 54.97 56.41 1ut4 s GLU 48 Cb -0.10 -3.32 0.06 0.00 0.10 0.00 0.00 34.13 30.87 1ut4 s GLU 48 CO 0.43 0.40 0.61 -1.50 0.02 0.00 0.00 175.26 175.21 1ut4 s ILE 49 N -0.51 0.01 -0.63 -1.63 2.07 0.37 -4.92 121.20 115.96 1ut4 s ILE 49 Ca 0.39 -0.08 -0.22 0.00 -1.41 0.00 0.00 60.65 59.32 1ut4 s ILE 49 Cb -0.22 -0.96 0.07 0.00 0.13 0.00 0.00 42.46 41.49 1ut4 s ILE 49 CO 0.25 -0.05 0.88 -0.62 -1.91 0.00 0.00 174.94 173.50 1ut4 s ASP 50 N -1.46 6.19 0.50 4.50 -1.08 -1.26 -3.81 116.67 120.25 1ut4 s ASP 50 Ca -0.09 -1.03 0.19 0.00 -0.52 0.00 0.00 52.55 51.10 1ut4 s ASP 50 Cb -0.01 -2.39 1.29 0.00 -1.46 0.00 0.00 42.92 40.36 1ut4 s ASP 50 CO 0.06 -1.32 2.10 0.25 0.52 0.00 0.00 175.17 176.77 1ut4 h LEU 51 N 10.91 0.00 -0.42 -1.34 5.85 -1.97 -2.87 115.31 125.47 1ut4 h LEU 51 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1ut4 h LEU 51 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ut4 h LEU 51 CO 1.14 0.09 0.00 -1.22 -0.34 0.00 0.00 178.44 178.11 1ut4 n TYR 52 N -4.21 0.06 1.24 1.25 4.02 -1.26 -2.73 117.16 115.53 1ut4 n TYR 52 Ca -0.03 -0.03 0.13 0.00 -0.01 0.00 0.00 57.90 57.97 1ut4 n TYR 52 Cb 0.17 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 39.92 1ut4 n TYR 52 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ut4 n LYS 53 N -0.41 0.63 -4.29 -0.72 4.76 -1.08 -3.79 118.16 113.26 1ut4 n LYS 53 Ca 0.17 -0.32 -0.19 0.00 -2.87 0.00 0.00 58.31 55.10 1ut4 n LYS 53 Cb 0.18 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 1ut4 n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ut4 s PHE 54 N -2.59 1.58 0.19 2.13 0.08 -1.10 -4.38 117.98 113.88 1ut4 s PHE 54 Ca 0.23 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 1ut4 s PHE 54 Cb 0.19 -0.80 -0.08 0.00 -0.57 0.00 0.00 43.02 41.77 1ut4 s PHE 54 CO 0.54 0.23 1.04 -0.51 -0.10 0.00 0.00 175.22 176.42 1ut4 s ASP 55 N -2.68 7.38 0.54 1.36 1.01 -1.26 -3.65 116.67 119.37 1ut4 s ASP 55 Ca 0.13 2.03 0.26 0.00 0.71 0.00 0.00 52.55 55.69 1ut4 s ASP 55 Cb -0.04 -2.61 1.44 0.00 1.01 0.00 0.00 42.92 42.72 1ut4 s ASP 55 CO 0.05 -0.11 1.99 1.55 0.21 0.00 0.00 175.17 178.85 1ut4 h PRO 56 N 4.85 0.00 0.00 8.23 0.13 -1.91 -2.33 132.00 140.96 1ut4 h PRO 56 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ut4 h PRO 56 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ut4 h PRO 56 CO 0.71 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.81 1ut4 n TRP 57 N -4.23 0.60 0.66 1.56 2.14 -1.26 -1.91 117.44 115.00 1ut4 n TRP 57 Ca 0.09 0.22 0.12 0.00 2.07 0.00 0.00 57.50 60.00 1ut4 n TRP 57 Cb 0.60 -0.85 0.18 0.00 -0.81 0.00 0.00 31.31 30.43 1ut4 n TRP 57 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1ut4 n VAL 58 N -2.03 0.26 -0.27 -1.67 0.24 -0.88 -4.48 118.33 109.51 1ut4 n VAL 58 Ca 0.03 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 1ut4 n VAL 58 Cb 0.27 -0.03 0.18 0.00 -1.47 0.00 0.00 33.84 32.79 1ut4 n VAL 58 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ut4 h LEU 59 N 0.00 0.97 -1.74 1.34 3.38 -1.48 -2.56 115.31 115.23 1ut4 h LEU 59 Ca 0.00 -0.06 0.28 0.00 0.09 0.00 0.00 57.88 58.19 1ut4 h LEU 59 Cb 0.69 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1ut4 h LEU 59 CO 0.00 0.75 0.70 -0.65 0.09 0.00 0.00 178.44 179.33 1ut4 h PRO 60 N 1.12 0.17 0.00 1.13 0.11 -1.78 -1.18 132.00 131.57 1ut4 h PRO 60 Ca 0.29 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 1ut4 h PRO 60 Cb -0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1ut4 h PRO 60 CO -0.05 0.11 -0.30 -0.91 -0.21 0.00 0.00 178.00 176.64 1ut4 h ASN 61 N 0.18 0.00 0.80 -2.05 2.35 -1.77 -3.15 115.58 111.93 1ut4 h ASN 61 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1ut4 h ASN 61 Cb 1.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.09 1ut4 h ASN 61 CO -0.12 0.30 -0.79 0.11 -1.65 0.00 0.00 177.43 175.29 1ut4 h LYS 62 N 0.00 0.00 -6.76 0.81 1.57 -1.30 -3.47 116.57 107.42 1ut4 h LYS 62 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1ut4 h LYS 62 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1ut4 h LYS 62 CO 0.04 0.00 0.37 0.00 -0.57 0.00 0.00 179.45 179.29 1ut4 s ALA 63 N -3.21 3.35 -0.76 3.86 0.00 -1.08 -4.94 121.76 118.97 1ut4 s ALA 63 Ca 0.04 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.89 1ut4 s ALA 63 Cb 0.13 -3.23 0.91 0.00 0.00 0.00 0.00 23.12 20.93 1ut4 s ALA 63 CO 0.75 0.16 1.72 1.28 0.00 0.00 0.00 175.76 179.67 1ut4 n LEU 64 N 1.43 0.44 -3.62 0.00 4.77 -1.26 -4.87 117.00 113.89 1ut4 n LEU 64 Ca -0.02 0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1ut4 n LEU 64 Cb 0.47 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1ut4 n LEU 64 CO 0.50 -0.28 0.63 0.72 -1.33 0.00 0.00 177.39 177.63 1ut4 s PHE 65 N -3.13 -0.28 0.00 -1.77 -0.71 -1.26 -5.10 117.98 105.73 1ut4 s PHE 65 Ca 0.08 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1ut4 s PHE 65 Cb 0.12 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.53 1ut4 s PHE 65 CO 0.45 -0.78 0.00 0.41 -1.34 0.00 0.00 175.22 173.96 1ut4 n GLY 66 N -0.37 3.74 0.13 1.99 0.00 -1.26 -4.68 105.19 104.74 1ut4 n GLY 66 Ca -0.09 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.33 1ut4 n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ut4 n GLU 67 N -0.05 0.64 0.00 1.61 1.02 -1.26 -4.80 120.64 117.81 1ut4 n GLU 67 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ut4 n GLU 67 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1ut4 n GLU 67 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ut4 n LYS 68 N -3.26 3.44 -4.17 3.49 5.02 -1.26 -5.05 118.16 116.36 1ut4 n LYS 68 Ca -0.46 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.67 1ut4 n LYS 68 Cb 0.99 -0.26 -0.13 0.00 -0.02 0.00 0.00 35.03 35.61 1ut4 n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ut4 s GLU 69 N -0.50 0.61 0.02 1.97 2.02 -1.26 -4.40 118.70 117.16 1ut4 s GLU 69 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.43 1ut4 s GLU 69 Cb 0.00 -0.52 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 1ut4 s GLU 69 CO 0.00 0.12 -0.10 -1.58 0.02 0.00 0.00 175.26 173.72 1ut4 s TRP 70 N -0.86 0.87 0.05 1.61 0.51 -0.59 -4.38 118.94 116.16 1ut4 s TRP 70 Ca -0.03 -0.30 0.09 0.00 -2.12 0.00 0.00 56.10 53.75 1ut4 s TRP 70 Cb -0.07 -0.53 -0.03 0.00 -0.81 0.00 0.00 33.47 32.03 1ut4 s TRP 70 CO 0.00 -0.01 -0.26 0.71 -0.51 0.00 0.00 176.95 176.88 1ut4 s TYR 71 N -0.70 2.32 0.10 -1.98 1.51 -1.26 -0.25 117.35 117.09 1ut4 s TYR 71 Ca -0.01 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 1ut4 s TYR 71 Cb -0.06 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1ut4 s TYR 71 CO 0.00 0.14 0.14 -0.06 -1.11 0.00 0.00 175.55 174.67 1ut4 s PHE 72 N -0.83 0.37 -0.16 2.71 0.08 -0.48 -4.32 117.98 115.34 1ut4 s PHE 72 Ca 0.12 -0.80 -0.04 0.00 0.12 0.00 0.00 56.93 56.32 1ut4 s PHE 72 Cb -0.10 -0.18 -0.03 0.00 -0.57 0.00 0.00 43.02 42.14 1ut4 s PHE 72 CO 0.02 -0.54 -0.02 -0.06 -0.10 0.00 0.00 175.22 174.53 1ut4 s PHE 73 N -3.92 3.07 0.05 0.36 0.08 -0.57 -0.68 117.98 116.37 1ut4 s PHE 73 Ca 0.10 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.98 1ut4 s PHE 73 Cb 0.06 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1ut4 s PHE 73 CO -0.07 0.00 -0.15 0.45 -0.10 0.00 0.00 175.22 175.35 1ut4 s SER 74 N 0.37 1.73 0.28 1.36 0.15 -0.74 -0.48 113.70 116.37 1ut4 s SER 74 Ca -0.03 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.82 1ut4 s SER 74 Cb -0.14 -0.10 -0.12 0.00 -1.71 0.00 0.00 66.02 63.95 1ut4 s SER 74 CO 0.02 0.02 1.54 -2.65 1.20 0.00 0.00 173.24 173.37 1ut4 n PRO 75 N 1.74 2.51 -2.23 5.44 -0.02 -1.26 -0.66 135.00 140.51 1ut4 n PRO 75 Ca -0.19 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1ut4 n PRO 75 Cb 0.54 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1ut4 n PRO 75 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ut4 s ARG 76 N -0.54 4.42 -0.15 -0.52 3.52 -0.52 -4.64 118.95 120.52 1ut4 s ARG 76 Ca 0.65 2.06 -0.28 0.00 -0.13 0.00 0.00 55.73 58.03 1ut4 s ARG 76 Cb -0.54 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1ut4 s ARG 76 CO 0.49 -0.15 0.94 0.34 -0.81 0.00 0.00 175.30 176.11 1ut4 s ASP 77 N -0.11 7.09 -0.62 -2.12 2.15 -1.26 -4.97 116.67 116.84 1ut4 s ASP 77 Ca 0.52 1.35 0.02 0.00 0.43 0.00 0.00 52.55 54.87 1ut4 s ASP 77 Cb -0.37 -2.51 0.39 0.00 -0.30 0.00 0.00 42.92 40.14 1ut4 s ASP 77 CO 0.43 -0.46 1.53 0.54 -0.17 0.00 0.00 175.17 177.04 1ut4 n ARG 78 N 5.33 3.12 -0.03 4.34 5.12 -1.26 -5.20 116.66 128.08 1ut4 n ARG 78 Ca 0.07 -4.04 0.00 0.00 -1.93 0.00 0.00 57.85 51.96 1ut4 n ARG 78 Cb 0.48 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 1ut4 n ARG 78 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1ut4 n PRO 86 N -0.53 0.00 -4.07 5.56 -0.04 -1.26 -5.34 135.00 129.33 1ut4 n PRO 86 Ca 0.46 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.54 1ut4 n PRO 86 Cb 0.49 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.96 1ut4 n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ut4 n ASN 87 N -0.08 -3.17 -4.72 3.54 3.02 -1.22 -4.84 115.26 107.79 1ut4 n ASN 87 Ca 0.00 -1.17 -0.42 0.00 -0.03 0.00 0.00 54.58 52.96 1ut4 n ASN 87 Cb 0.00 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 37.73 1ut4 n ASN 87 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ut4 s ARG 88 N -7.22 4.33 0.28 3.52 3.52 -1.06 -4.64 118.95 117.69 1ut4 s ARG 88 Ca 0.40 2.08 -0.29 0.00 -0.13 0.00 0.00 55.73 57.79 1ut4 s ARG 88 Cb -0.22 -3.23 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 1ut4 s ARG 88 CO 0.87 -0.39 1.30 0.08 -0.81 0.00 0.00 175.30 176.36 1ut4 s VAL 89 N 0.79 2.90 -0.14 7.11 1.01 -1.26 -1.57 120.40 129.23 1ut4 s VAL 89 Ca 0.62 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 63.39 1ut4 s VAL 89 Cb -0.37 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1ut4 s VAL 89 CO 0.33 0.18 0.30 0.00 0.00 0.00 0.00 175.10 175.90 1ut4 s ALA 90 N -0.71 -0.70 0.00 5.51 0.00 -0.88 -4.83 121.76 120.16 1ut4 s ALA 90 Ca 0.52 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ut4 s ALA 90 Cb -0.38 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1ut4 s ALA 90 CO 0.47 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1ut4 n GLY 91 N 5.24 3.80 0.82 0.00 0.00 -1.24 -1.86 105.19 111.95 1ut4 n GLY 91 Ca -0.09 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1ut4 n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ut4 n SER 92 N 6.23 2.33 0.00 1.61 3.41 -1.26 -4.93 113.62 121.02 1ut4 n SER 92 Ca 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1ut4 n SER 92 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1ut4 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ut4 n GLY 93 N 0.82 4.25 3.48 5.00 0.00 -0.78 -0.90 105.19 117.07 1ut4 n GLY 93 Ca 0.12 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 1ut4 n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ut4 s TYR 94 N -0.58 -0.59 -0.20 1.61 1.13 0.25 -2.06 117.35 116.91 1ut4 s TYR 94 Ca 0.00 1.02 -0.11 0.00 -1.41 0.00 0.00 57.07 56.57 1ut4 s TYR 94 Cb 0.00 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 1ut4 s TYR 94 CO 0.00 -0.56 0.18 -1.58 -2.51 0.00 0.00 175.55 171.08 1ut4 s TRP 95 N -1.15 3.40 -0.15 -3.49 0.52 -0.61 -1.00 118.94 116.46 1ut4 s TRP 95 Ca -0.11 0.37 -0.02 0.00 0.02 0.00 0.00 56.10 56.37 1ut4 s TRP 95 Cb -0.01 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 1ut4 s TRP 95 CO 0.09 0.22 -0.09 0.21 0.02 0.00 0.00 176.95 177.39 1ut4 s LYS 96 N 0.58 3.45 0.40 4.98 2.20 -0.19 -2.57 119.74 128.58 1ut4 s LYS 96 Ca 0.10 -0.64 -0.27 0.00 -0.36 0.00 0.00 55.97 54.81 1ut4 s LYS 96 Cb -0.12 -2.76 -0.09 0.00 -1.51 0.00 0.00 37.83 33.34 1ut4 s LYS 96 CO 0.01 0.14 1.39 0.00 -0.36 0.00 0.00 175.35 176.53 1ut4 s ALA 97 N 0.56 3.37 0.10 3.13 0.00 -1.26 -0.89 121.76 126.77 1ut4 s ALA 97 Ca -0.06 1.39 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 1ut4 s ALA 97 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1ut4 s ALA 97 CO 0.03 -0.96 0.14 -0.08 0.00 0.00 0.00 175.76 174.89 1ut4 s THR 98 N -1.19 0.14 0.00 0.00 -1.32 -0.51 -4.87 115.64 107.89 1ut4 s THR 98 Ca 0.56 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1ut4 s THR 98 Cb -0.42 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 1ut4 s THR 98 CO 0.55 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1ut4 n GLY 99 N -0.05 0.34 3.32 6.08 0.00 -1.26 -4.18 105.19 109.44 1ut4 n GLY 99 Ca -0.12 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1ut4 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ut4 s THR 100 N 0.00 3.15 0.25 2.61 2.01 -1.26 -4.99 115.64 117.40 1ut4 s THR 100 Ca 0.00 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1ut4 s THR 100 Cb 0.00 -2.39 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 1ut4 s THR 100 CO 0.00 0.47 1.46 -1.81 -0.69 0.00 0.00 174.62 174.06 1ut4 s ASP 101 N 1.05 6.62 -0.01 3.53 1.01 -1.26 -4.82 116.67 122.79 1ut4 s ASP 101 Ca -0.00 2.69 0.01 0.00 0.71 0.00 0.00 52.55 55.96 1ut4 s ASP 101 Cb -0.15 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1ut4 s ASP 101 CO -0.01 -0.73 0.00 -0.75 0.21 0.00 0.00 175.17 173.89 1ut4 s LYS 102 N -0.29 2.81 -0.14 8.23 2.20 -0.66 -4.96 119.74 126.93 1ut4 s LYS 102 Ca 0.60 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 55.46 1ut4 s LYS 102 Cb -0.43 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1ut4 s LYS 102 CO 0.43 0.63 0.40 0.42 -0.36 0.00 0.00 175.35 176.86 1ut4 s ILE 103 N -1.08 5.24 -0.17 5.43 -1.09 -1.26 -1.17 121.20 127.10 1ut4 s ILE 103 Ca 0.19 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.25 1ut4 s ILE 103 Cb -0.12 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1ut4 s ILE 103 CO 0.10 0.35 0.24 -0.63 -1.23 0.00 0.00 174.94 173.77 1ut4 s ILE 104 N 0.61 5.34 0.18 2.92 -1.09 0.11 -4.97 121.20 124.29 1ut4 s ILE 104 Ca 0.22 0.44 0.11 0.00 -2.23 0.00 0.00 60.65 59.19 1ut4 s ILE 104 Cb -0.14 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1ut4 s ILE 104 CO 0.07 0.40 -0.25 -0.44 -1.23 0.00 0.00 174.94 173.50 1ut4 s SER 105 N 0.45 3.41 -0.04 3.58 0.01 -1.26 -0.96 113.70 118.89 1ut4 s SER 105 Ca 0.14 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 1ut4 s SER 105 Cb -0.12 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.89 1ut4 s SER 105 CO 0.02 0.13 0.01 0.28 0.41 0.00 0.00 173.24 174.10 1ut4 s THR 106 N -1.56 0.18 -1.41 1.44 -1.32 0.30 -4.84 115.64 108.42 1ut4 s THR 106 Ca 0.19 0.17 -0.04 0.00 -1.21 0.00 0.00 61.69 60.81 1ut4 s THR 106 Cb -0.08 -0.33 0.03 0.00 -1.51 0.00 0.00 72.50 70.61 1ut4 s THR 106 CO 0.09 0.19 0.64 -0.62 -2.21 0.00 0.00 174.62 172.71 1ut4 n GLU 107 N 4.70 -4.26 -1.01 7.08 1.02 -1.26 -1.29 120.64 125.63 1ut4 n GLU 107 Ca -0.15 0.51 -0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1ut4 n GLU 107 Cb 0.50 -4.97 -0.00 0.00 -0.02 0.00 0.00 31.44 26.95 1ut4 n GLU 107 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ut4 n GLY 108 N -1.74 0.28 3.47 0.62 0.00 -1.26 -5.01 105.19 101.56 1ut4 n GLY 108 Ca -0.22 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1ut4 n GLY 108 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ut4 s GLN 109 N -1.05 2.85 -0.05 1.61 -1.52 -0.41 -5.10 119.66 115.99 1ut4 s GLN 109 Ca 0.00 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 1ut4 s GLN 109 Cb 0.00 -2.52 -0.03 0.00 -0.22 0.00 0.00 33.01 30.25 1ut4 s GLN 109 CO 0.00 0.51 1.08 1.03 -0.25 0.00 0.00 175.29 177.66 1ut4 s ARG 110 N -0.41 4.43 -0.01 2.91 0.52 -1.26 -0.54 118.95 124.59 1ut4 s ARG 110 Ca 0.05 1.52 0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1ut4 s ARG 110 Cb -0.12 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.82 1ut4 s ARG 110 CO 0.02 -0.29 0.01 1.33 0.02 0.00 0.00 175.30 176.39 1ut4 n VAL 111 N 4.36 0.06 -3.75 3.52 0.24 -0.13 -4.91 118.33 117.72 1ut4 n VAL 111 Ca 0.09 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 1ut4 n VAL 111 Cb 0.48 -0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 1ut4 n VAL 111 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ut4 s GLY 112 N -2.89 -0.03 -0.09 7.63 0.00 -0.97 -1.53 107.32 109.43 1ut4 s GLY 112 Ca -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1ut4 s GLY 112 CO 0.05 -0.47 -0.19 -0.42 0.00 0.00 0.00 173.10 172.08 1ut4 s ILE 113 N -3.86 2.51 -0.21 0.90 1.01 -0.23 0.04 121.20 121.35 1ut4 s ILE 113 Ca 0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1ut4 s ILE 113 Cb 0.02 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1ut4 s ILE 113 CO -0.07 0.55 0.11 -0.75 0.00 0.00 0.00 174.94 174.78 1ut4 s LYS 114 N 0.10 4.03 -0.08 2.79 2.20 -0.32 -1.10 119.74 127.35 1ut4 s LYS 114 Ca -0.09 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1ut4 s LYS 114 Cb -0.15 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1ut4 s LYS 114 CO 0.06 0.17 -0.19 0.21 -0.36 0.00 0.00 175.35 175.23 1ut4 s LYS 115 N 0.71 2.44 0.11 4.03 2.20 -0.10 -1.65 119.74 127.49 1ut4 s LYS 115 Ca 0.06 -0.68 -0.18 0.00 -0.36 0.00 0.00 55.97 54.80 1ut4 s LYS 115 Cb -0.13 -1.91 -0.07 0.00 -1.51 0.00 0.00 37.83 34.22 1ut4 s LYS 115 CO 0.02 0.13 0.59 0.00 -0.36 0.00 0.00 175.35 175.72 1ut4 s ALA 116 N 0.44 3.57 0.09 3.13 0.00 -1.26 0.40 121.76 128.12 1ut4 s ALA 116 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1ut4 s ALA 116 Cb -0.17 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1ut4 s ALA 116 CO 0.06 0.40 -0.03 -0.51 0.00 0.00 0.00 175.76 175.69 1ut4 s LEU 117 N -1.43 2.39 -0.01 0.00 1.02 0.34 -1.43 118.68 119.56 1ut4 s LEU 117 Ca 0.33 -1.04 0.05 0.00 0.02 0.00 0.00 54.13 53.49 1ut4 s LEU 117 Cb -0.18 0.09 -0.01 0.00 0.02 0.00 0.00 46.19 46.10 1ut4 s LEU 117 CO 0.19 -0.56 -0.16 -0.69 0.02 0.00 0.00 176.35 175.15 1ut4 s VAL 118 N -3.80 1.27 -0.08 -1.59 1.01 -0.07 -1.60 120.40 115.54 1ut4 s VAL 118 Ca 0.12 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1ut4 s VAL 118 Cb 0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1ut4 s VAL 118 CO -0.06 0.34 0.76 0.12 0.00 0.00 0.00 175.10 176.26 1ut4 s PHE 119 N -0.41 3.55 -0.09 5.22 5.36 -0.64 -1.02 117.98 129.94 1ut4 s PHE 119 Ca 0.06 1.30 -0.01 0.00 -0.96 0.00 0.00 56.93 57.32 1ut4 s PHE 119 Cb -0.06 -2.88 -0.03 0.00 -0.34 0.00 0.00 43.02 39.70 1ut4 s PHE 119 CO -0.00 0.01 -0.03 0.71 -1.46 0.00 0.00 175.22 174.44 1ut4 s TYR 120 N 1.11 3.04 -0.00 10.12 1.51 -0.17 -1.20 117.35 131.76 1ut4 s TYR 120 Ca 0.39 0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 56.27 1ut4 s TYR 120 Cb -0.18 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1ut4 s TYR 120 CO 0.18 0.32 0.62 0.42 -1.11 0.00 0.00 175.55 175.98 1ut4 s ILE 121 N -0.61 4.90 0.00 2.71 1.01 -0.65 -0.59 121.20 127.97 1ut4 s ILE 121 Ca 0.10 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.04 1ut4 s ILE 121 Cb -0.12 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1ut4 s ILE 121 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1ut4 n GLY 122 N 2.48 0.17 3.24 6.18 0.00 -0.07 -1.86 105.19 115.34 1ut4 n GLY 122 Ca -0.06 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 1ut4 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ut4 s LYS 123 N 0.00 3.14 0.50 1.61 2.20 -1.26 -4.10 119.74 121.83 1ut4 s LYS 123 Ca 0.00 -0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 54.57 1ut4 s LYS 123 Cb 0.00 -2.48 -0.06 0.00 -1.51 0.00 0.00 37.83 33.78 1ut4 s LYS 123 CO 0.00 0.09 1.36 0.00 -0.36 0.00 0.00 175.35 176.44 1ut4 s ALA 124 N 0.59 3.00 -0.68 3.13 0.00 -1.26 -0.68 121.76 125.86 1ut4 s ALA 124 Ca -0.11 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 1ut4 s ALA 124 Cb -0.16 -3.55 0.43 0.00 0.00 0.00 0.00 23.12 19.83 1ut4 s ALA 124 CO 0.03 -1.21 1.96 -0.35 0.00 0.00 0.00 175.76 176.19 1ut4 n PRO 125 N -0.62 2.78 -0.31 0.00 -0.04 -1.26 -4.94 135.00 130.61 1ut4 n PRO 125 Ca 0.08 -3.43 0.08 0.00 -0.04 0.00 0.00 63.50 60.19 1ut4 n PRO 125 Cb 0.44 -2.28 0.19 0.00 -0.04 0.00 0.00 33.50 31.80 1ut4 n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ut4 n LYS 126 N -0.81 1.79 -2.08 0.54 5.02 0.14 -5.06 118.16 117.70 1ut4 n LYS 126 Ca 0.59 -2.81 -0.27 0.00 -2.02 0.00 0.00 58.31 53.80 1ut4 n LYS 126 Cb 0.58 -1.64 0.08 0.00 -0.02 0.00 0.00 35.03 34.03 1ut4 n LYS 126 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ut4 s GLY 127 N -2.66 1.65 -0.11 0.72 0.00 -1.21 -4.72 107.32 100.99 1ut4 s GLY 127 Ca 0.37 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.27 1ut4 s GLY 127 CO 0.03 -0.38 -0.15 -0.51 0.00 0.00 0.00 173.10 172.09 1ut4 s THR 128 N -3.39 2.93 0.38 0.90 -4.23 -0.77 -4.89 115.64 106.57 1ut4 s THR 128 Ca 0.61 -0.72 -0.27 0.00 -1.18 0.00 0.00 61.69 60.13 1ut4 s THR 128 Cb -0.11 -2.20 -0.11 0.00 1.34 0.00 0.00 72.50 71.42 1ut4 s THR 128 CO 0.46 0.54 1.34 1.17 -0.54 0.00 0.00 174.62 177.60 1ut4 n LYS 129 N 3.27 2.21 -4.47 3.99 4.81 -1.26 -1.63 118.16 125.08 1ut4 n LYS 129 Ca -0.18 0.78 -0.31 0.00 -0.87 0.00 0.00 58.31 57.72 1ut4 n LYS 129 Cb 0.53 -2.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 1ut4 n LYS 129 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ut4 n THR 130 N 0.17 0.00 1.13 3.15 -2.24 -0.34 -4.87 114.28 111.27 1ut4 n THR 130 Ca 0.04 -2.40 0.09 0.00 -2.27 0.00 0.00 64.05 59.51 1ut4 n THR 130 Cb 0.38 0.32 0.31 0.00 -2.10 0.00 0.00 70.33 69.24 1ut4 n THR 130 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ut4 n ASN 131 N -1.50 1.71 -4.68 3.42 5.03 -1.26 -4.70 115.26 113.29 1ut4 n ASN 131 Ca -0.15 -1.80 -0.42 0.00 0.87 0.00 0.00 54.58 53.08 1ut4 n ASN 131 Cb 0.66 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 39.25 1ut4 n ASN 131 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1ut4 s TRP 132 N -1.71 3.46 0.04 3.10 0.52 -1.26 -0.47 118.94 122.61 1ut4 s TRP 132 Ca 0.29 1.51 0.07 0.00 0.02 0.00 0.00 56.10 57.99 1ut4 s TRP 132 Cb 0.16 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 1ut4 s TRP 132 CO 0.23 -0.29 -0.18 0.42 0.02 0.00 0.00 176.95 177.15 1ut4 s ILE 133 N 2.32 2.80 -0.01 2.03 -1.09 0.01 -1.62 121.20 125.64 1ut4 s ILE 133 Ca 0.46 -1.16 0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1ut4 s ILE 133 Cb -0.17 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 1ut4 s ILE 133 CO 0.14 0.35 -0.20 -0.32 -1.23 0.00 0.00 174.94 173.68 1ut4 s MET 134 N -1.39 1.63 -0.24 2.79 -2.45 -0.63 -1.61 119.30 117.41 1ut4 s MET 134 Ca 0.14 -0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 53.80 1ut4 s MET 134 Cb -0.10 -1.59 -0.00 0.00 1.25 0.00 0.00 34.83 34.39 1ut4 s MET 134 CO 0.05 0.43 -0.02 -1.01 1.05 0.00 0.00 175.02 175.52 1ut4 s HIS 135 N -0.50 3.01 -0.32 4.11 3.76 0.24 -0.51 115.29 125.09 1ut4 s HIS 135 Ca 0.08 -1.00 -0.09 0.00 -0.15 0.00 0.00 55.06 53.90 1ut4 s HIS 135 Cb -0.08 -2.13 0.01 0.00 1.11 0.00 0.00 32.58 31.49 1ut4 s HIS 135 CO -0.01 -0.57 0.14 -2.00 -0.85 0.00 0.00 174.74 171.46 1ut4 s GLU 136 N 1.47 3.10 -0.10 1.40 2.12 0.16 -1.04 118.70 125.82 1ut4 s GLU 136 Ca 0.05 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.36 1ut4 s GLU 136 Cb -0.15 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1ut4 s GLU 136 CO -0.02 -0.50 0.36 0.71 -0.54 0.00 0.00 175.26 175.27 1ut4 s TYR 137 N 1.55 3.56 0.04 5.30 1.51 0.27 -0.92 117.35 128.66 1ut4 s TYR 137 Ca 0.03 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.88 1ut4 s TYR 137 Cb -0.18 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1ut4 s TYR 137 CO 0.05 0.37 -0.07 -0.98 -1.11 0.00 0.00 175.55 173.81 1ut4 s ARG 138 N -0.03 0.52 0.24 -0.62 1.70 -0.26 -1.62 118.95 118.88 1ut4 s ARG 138 Ca 0.21 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.37 1ut4 s ARG 138 Cb -0.14 -0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 33.94 1ut4 s ARG 138 CO 0.08 0.02 1.07 -0.51 -1.08 0.00 0.00 175.30 174.89 1ut4 s LEU 139 N -1.73 4.55 0.42 -1.89 1.43 -1.26 -1.07 118.68 119.12 1ut4 s LEU 139 Ca -0.09 2.15 -0.26 0.00 -1.03 0.00 0.00 54.13 54.90 1ut4 s LEU 139 Cb -0.08 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 1ut4 s LEU 139 CO -0.01 -0.12 1.37 -0.63 0.23 0.00 0.00 176.35 177.20 1ut4 s ILE 140 N -0.83 2.34 0.12 -0.59 -1.09 -0.58 -4.83 121.20 115.73 1ut4 s ILE 140 Ca 0.46 0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 58.93 1ut4 s ILE 140 Cb -0.30 -3.18 0.07 0.00 -1.58 0.00 0.00 42.46 37.47 1ut4 s ILE 140 CO 0.37 0.05 0.80 -1.83 -1.23 0.00 0.00 174.94 173.10 1ut4 s GLU 141 N -2.29 1.19 0.40 2.79 -1.05 -1.26 -4.98 118.70 113.50 1ut4 s GLU 141 Ca 0.58 -0.54 -0.22 0.00 -0.15 0.00 0.00 54.97 54.63 1ut4 s GLU 141 Cb -0.41 0.48 -0.11 0.00 -0.44 0.00 0.00 34.13 33.65 1ut4 s GLU 141 CO 0.54 -0.53 0.94 -1.25 0.95 0.00 0.00 175.26 175.90 1ut4 s PRO 142 N -3.46 4.31 -0.76 -4.83 0.04 -1.26 -5.26 135.00 123.79 1ut4 s PRO 142 Ca 0.07 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1ut4 s PRO 142 Cb -0.02 -2.35 -0.20 0.00 0.04 0.00 0.00 34.50 31.97 1ut4 s PRO 142 CO -0.05 0.06 1.88 -1.13 0.04 0.00 0.00 177.00 177.80 1ut4 n SER 143 N -0.31 2.22 -3.78 6.66 3.41 -1.26 -5.32 113.62 115.24 1ut4 n SER 143 Ca 0.05 -2.63 -0.10 0.00 -0.26 0.00 0.00 58.87 55.94 1ut4 n SER 143 Cb 0.53 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1ut4 n SER 143 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ut4 n ASP 152 N 11.03 -0.80 -4.07 4.04 -0.08 -1.26 -5.35 116.55 120.06 1ut4 n ASP 152 Ca 0.47 -0.27 -0.34 0.00 -1.51 0.00 0.00 54.79 53.14 1ut4 n ASP 152 Cb 0.43 -0.32 -0.13 0.00 2.34 0.00 0.00 41.12 43.44 1ut4 n ASP 152 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ut4 s ASP 153 N -4.66 5.01 0.20 1.67 2.15 -1.26 -4.65 116.67 115.12 1ut4 s ASP 153 Ca 0.10 -2.20 0.10 0.00 0.43 0.00 0.00 52.55 50.98 1ut4 s ASP 153 Cb -0.06 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 40.78 1ut4 s ASP 153 CO 0.20 -0.45 -0.21 0.26 -0.17 0.00 0.00 175.17 174.80 1ut4 s TRP 154 N 0.87 2.12 0.17 -5.34 0.52 -1.26 -1.44 118.94 114.58 1ut4 s TRP 154 Ca 0.10 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.89 1ut4 s TRP 154 Cb -0.21 -1.03 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 1ut4 s TRP 154 CO -0.05 0.47 0.07 0.14 0.02 0.00 0.00 176.95 177.60 1ut4 s VAL 155 N -1.95 4.14 -0.15 4.03 -7.23 0.16 -4.66 120.40 114.74 1ut4 s VAL 155 Ca 0.20 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1ut4 s VAL 155 Cb -0.07 -3.10 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 1ut4 s VAL 155 CO 0.09 -0.11 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.48 1ut4 s LEU 156 N -3.03 2.98 -0.09 1.32 2.96 -0.64 -1.79 118.68 120.39 1ut4 s LEU 156 Ca 0.29 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1ut4 s LEU 156 Cb -0.10 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1ut4 s LEU 156 CO 0.21 0.15 -0.18 0.00 -1.32 0.00 0.00 176.35 175.21 1ut4 s ARG 158 N 0.51 4.24 -0.10 0.00 3.52 -0.20 -1.39 118.95 125.54 1ut4 s ARG 158 Ca -0.17 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1ut4 s ARG 158 Cb -0.17 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1ut4 s ARG 158 CO 0.06 0.30 -0.13 0.42 -0.81 0.00 0.00 175.30 175.14 1ut4 s ILE 159 N 0.16 3.10 0.22 4.11 -1.09 0.65 -0.59 121.20 127.75 1ut4 s ILE 159 Ca 0.25 -0.67 -0.15 0.00 -2.23 0.00 0.00 60.65 57.85 1ut4 s ILE 159 Cb -0.16 -2.27 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1ut4 s ILE 159 CO 0.11 0.55 0.50 -0.72 -1.23 0.00 0.00 174.94 174.15 1ut4 s TYR 160 N -0.13 0.09 -0.23 3.97 1.13 -0.63 -1.54 117.35 120.01 1ut4 s TYR 160 Ca -0.01 -0.46 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 1ut4 s TYR 160 Cb -0.14 0.30 -0.01 0.00 -1.10 0.00 0.00 41.96 41.01 1ut4 s TYR 160 CO 0.03 -0.95 -0.01 0.21 -2.51 0.00 0.00 175.55 172.33 1ut4 s LYS 161 N -3.94 3.44 0.48 -3.49 2.20 -1.26 -0.81 119.74 116.37 1ut4 s LYS 161 Ca 0.14 -0.59 -0.24 0.00 -0.36 0.00 0.00 55.97 54.92 1ut4 s LYS 161 Cb -0.01 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1ut4 s LYS 161 CO 0.02 -0.20 1.41 0.21 -0.36 0.00 0.00 175.35 176.43 1ut4 s LYS 162 N 1.52 3.50 0.00 4.03 2.20 0.38 -4.99 119.74 126.37 1ut4 s LYS 162 Ca 0.06 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1ut4 s LYS 162 Cb -0.15 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1ut4 s LYS 162 CO -0.01 -0.95 0.00 0.94 -0.36 0.00 0.00 175.35 174.97