#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ut4 s SER -2 N 0.00 4.78 -0.02 1.61 1.04 -1.26 -4.94 113.70 114.91 1ut4 s SER -2 Ca 0.00 2.10 -0.24 0.00 0.48 0.00 0.00 55.95 58.29 1ut4 s SER -2 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1ut4 s SER -2 CO 0.00 -1.86 0.74 -2.28 0.98 0.00 0.00 173.24 170.83 1ut4 s HIS -1 N -2.26 3.64 -0.37 5.02 5.65 -1.26 -5.02 115.29 120.69 1ut4 s HIS -1 Ca 0.69 1.36 0.03 0.00 0.25 0.00 0.00 55.06 57.39 1ut4 s HIS -1 Cb -0.23 -2.83 0.10 0.00 -1.18 0.00 0.00 32.58 28.44 1ut4 s HIS -1 CO 0.43 0.15 0.09 -1.64 -0.65 0.00 0.00 174.74 173.12 1ut4 s MET 1 N 0.52 1.61 0.81 2.88 1.00 -1.26 -5.11 119.30 119.74 1ut4 s MET 1 Ca 0.39 -1.95 -0.11 0.00 0.00 0.00 0.00 55.69 54.02 1ut4 s MET 1 Cb -0.19 -3.27 0.08 0.00 0.00 0.00 0.00 34.83 31.45 1ut4 s MET 1 CO 0.21 -0.98 1.09 0.20 0.00 0.00 0.00 175.02 175.54 1ut4 s GLY 2 N 0.91 1.63 -0.15 -0.03 0.00 -1.26 -5.04 107.32 103.37 1ut4 s GLY 2 Ca 0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.56 1ut4 s GLY 2 CO -0.07 0.32 0.42 -0.42 0.00 0.00 0.00 173.10 173.35 1ut4 s ILE 3 N -3.07 5.21 -0.47 0.90 1.01 -1.26 -5.05 121.20 118.48 1ut4 s ILE 3 Ca 0.61 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.90 1ut4 s ILE 3 Cb -0.16 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1ut4 s ILE 3 CO 0.55 0.31 0.48 -1.58 0.00 0.00 0.00 174.94 174.71 1ut4 s GLN 4 N 0.81 3.06 0.07 2.79 0.74 -1.26 -5.07 119.66 120.80 1ut4 s GLN 4 Ca 0.22 -1.00 -0.10 0.00 0.05 0.00 0.00 55.36 54.53 1ut4 s GLN 4 Cb -0.15 -4.06 -0.06 0.00 1.10 0.00 0.00 33.01 29.84 1ut4 s GLN 4 CO 0.08 -1.03 0.40 -1.21 -0.55 0.00 0.00 175.29 172.98 1ut4 s GLU 5 N 2.13 3.78 -0.52 1.67 2.02 -1.26 -5.04 118.70 121.47 1ut4 s GLU 5 Ca 0.10 0.20 -0.15 0.00 0.02 0.00 0.00 54.97 55.14 1ut4 s GLU 5 Cb -0.20 -3.02 0.12 0.00 0.10 0.00 0.00 34.13 31.13 1ut4 s GLU 5 CO 0.11 0.57 0.46 0.99 0.02 0.00 0.00 175.26 177.41 1ut4 s THR 6 N -1.36 5.12 -0.26 3.63 2.01 -1.26 -5.03 115.64 118.49 1ut4 s THR 6 Ca 0.32 -1.43 -0.28 0.00 0.31 0.00 0.00 61.69 60.61 1ut4 s THR 6 Cb -0.14 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1ut4 s THR 6 CO 0.17 -0.79 2.05 -0.62 -0.69 0.00 0.00 174.62 174.74 1ut4 s ASP 7 N 3.29 5.63 0.00 3.53 -1.08 -1.26 -4.89 116.67 121.89 1ut4 s ASP 7 Ca 0.03 1.67 0.22 0.00 -0.52 0.00 0.00 52.55 53.96 1ut4 s ASP 7 Cb -0.28 -2.52 1.04 0.00 -1.46 0.00 0.00 42.92 39.70 1ut4 s ASP 7 CO 0.03 -1.85 1.70 -0.81 0.52 0.00 0.00 175.17 174.76 1ut4 n PRO 8 N 8.62 0.20 -0.02 4.34 -0.04 -1.26 -2.89 135.00 143.95 1ut4 n PRO 8 Ca 0.27 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.61 1ut4 n PRO 8 Cb 0.46 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 1ut4 n PRO 8 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ut4 h LEU 9 N 0.00 0.29 -1.44 1.53 3.38 -1.92 -3.37 115.31 113.79 1ut4 h LEU 9 Ca 0.00 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 57.17 1ut4 h LEU 9 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ut4 h LEU 9 CO 0.00 1.63 -0.00 0.71 0.09 0.00 0.00 178.44 180.87 1ut4 h THR 10 N -0.40 0.01 -0.52 0.22 1.35 -1.93 0.25 112.91 111.89 1ut4 h THR 10 Ca -0.34 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1ut4 h THR 10 Cb 1.70 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.62 1ut4 h THR 10 CO -0.00 0.00 0.25 0.06 -0.25 0.00 0.00 175.52 175.59 1ut4 h GLN 11 N 0.00 0.72 -0.00 4.72 3.07 -1.71 -2.92 115.11 118.99 1ut4 h GLN 11 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1ut4 h GLN 11 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1ut4 h GLN 11 CO 0.00 0.55 -0.00 1.28 0.09 0.00 0.00 178.83 180.75 1ut4 n LEU 12 N -4.38 0.01 -3.70 0.06 4.77 0.85 -4.96 117.00 109.65 1ut4 n LEU 12 Ca 0.04 0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 56.05 1ut4 n LEU 12 Cb 0.12 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1ut4 n LEU 12 CO 0.37 0.00 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.16 1ut4 n SER 13 N -1.33 -5.33 -4.71 -1.43 7.64 -1.06 -4.94 113.62 102.46 1ut4 n SER 13 Ca 0.13 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.62 1ut4 n SER 13 Cb 0.27 -3.05 -0.03 0.00 -1.01 0.00 0.00 64.21 60.38 1ut4 n SER 13 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ut4 s LEU 14 N -6.17 4.35 0.60 -3.43 1.43 -1.26 -5.03 118.68 109.18 1ut4 s LEU 14 Ca 0.37 1.91 -0.19 0.00 -1.03 0.00 0.00 54.13 55.18 1ut4 s LEU 14 Cb -0.15 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1ut4 s LEU 14 CO 0.87 -0.45 1.23 -2.84 0.23 0.00 0.00 176.35 175.40 1ut4 s PRO 15 N 1.26 2.93 0.52 1.29 0.02 -1.26 -4.95 135.00 134.81 1ut4 s PRO 15 Ca 0.57 1.89 -0.21 0.00 0.02 0.00 0.00 61.00 63.27 1ut4 s PRO 15 Cb -0.27 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.24 1ut4 s PRO 15 CO 0.28 -1.26 1.06 -2.30 -0.33 0.00 0.00 177.00 174.45 1ut4 n PRO 16 N -1.58 1.26 0.00 5.54 -0.02 -1.26 -2.87 135.00 136.06 1ut4 n PRO 16 Ca 0.14 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ut4 n PRO 16 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.13 2.70 3.75 -1.23 0.00 -1.26 -5.05 105.19 105.23 1ut4 n GLY 17 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.77 3.82 0.09 1.61 0.40 -1.14 -5.05 117.98 114.94 1ut4 s PHE 18 Ca 0.00 1.63 0.02 0.00 -0.60 0.00 0.00 56.93 57.97 1ut4 s PHE 18 Cb 0.00 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 1ut4 s PHE 18 CO 0.00 0.33 -0.06 1.03 0.70 0.00 0.00 175.22 177.22 1ut4 s ARG 19 N -0.41 0.79 -0.70 0.44 0.52 -1.26 -5.01 118.95 113.32 1ut4 s ARG 19 Ca 0.40 -1.28 -0.20 0.00 -0.52 0.00 0.00 55.73 54.13 1ut4 s ARG 19 Cb -0.22 -0.19 0.10 0.00 0.52 0.00 0.00 34.95 35.16 1ut4 s ARG 19 CO 0.26 -0.02 0.91 0.12 0.02 0.00 0.00 175.30 176.60 1ut4 s PHE 20 N -3.45 2.90 -0.60 -0.53 5.36 -1.26 -4.92 117.98 115.47 1ut4 s PHE 20 Ca 0.10 -0.90 0.06 0.00 -0.96 0.00 0.00 56.93 55.22 1ut4 s PHE 20 Cb 0.04 -4.19 0.21 0.00 -0.34 0.00 0.00 43.02 38.74 1ut4 s PHE 20 CO -0.05 -1.49 0.59 0.66 -1.46 0.00 0.00 175.22 173.48 1ut4 n TYR 21 N 6.92 2.49 -2.69 10.12 4.01 -1.26 -5.09 117.16 131.66 1ut4 n TYR 21 Ca 0.01 -4.04 -0.38 0.00 -0.16 0.00 0.00 57.90 53.34 1ut4 n TYR 21 Cb 0.45 -0.47 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.71 4.53 0.85 -0.72 0.04 -1.26 -5.06 135.00 131.67 1ut4 s PRO 22 Ca 0.34 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1ut4 s PRO 22 Cb 0.08 -2.84 0.10 0.00 0.04 0.00 0.00 34.50 31.88 1ut4 s PRO 22 CO -0.10 0.21 1.09 0.95 0.04 0.00 0.00 177.00 179.19 1ut4 s THR 23 N -1.53 2.88 0.39 1.26 -4.23 -1.26 -4.87 115.64 108.27 1ut4 s THR 23 Ca 0.50 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1ut4 s THR 23 Cb -0.21 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1ut4 s THR 23 CO 0.27 -0.37 2.03 0.44 -0.54 0.00 0.00 174.62 176.45 1ut4 h ASP 24 N -1.32 0.55 -0.06 3.99 3.32 -1.99 -1.67 116.42 119.23 1ut4 h ASP 24 Ca -0.48 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.38 1ut4 h ASP 24 Cb 1.27 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ut4 h ASP 24 CO 0.56 0.41 -0.57 -0.08 -1.72 0.00 0.00 179.24 177.85 1ut4 h GLU 25 N 0.65 0.66 -0.60 3.56 4.81 -1.92 -2.46 114.58 119.28 1ut4 h GLU 25 Ca 0.17 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 1ut4 h GLU 25 Cb -0.05 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1ut4 h GLU 25 CO -0.03 1.05 -0.02 0.93 -0.73 0.00 0.00 179.01 180.20 1ut4 h GLU 26 N 0.50 1.07 -0.80 1.92 5.08 -1.84 -1.24 114.58 119.27 1ut4 h GLU 26 Ca 0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1ut4 h GLU 26 Cb 1.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1ut4 h GLU 26 CO 0.11 1.05 0.34 -0.07 -1.00 0.00 0.00 179.01 179.45 1ut4 h LEU 27 N 0.96 1.08 -0.00 1.33 3.38 -1.22 -0.11 115.31 120.73 1ut4 h LEU 27 Ca 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ut4 h LEU 27 Cb 0.58 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ut4 h LEU 27 CO 0.03 0.94 -0.00 0.24 0.09 0.00 0.00 178.44 179.74 1ut4 h MET 28 N 1.15 0.00 0.06 1.13 2.86 -1.35 -1.32 114.93 117.47 1ut4 h MET 28 Ca 0.27 -0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1ut4 h MET 28 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1ut4 h MET 28 CO -0.03 0.58 -0.71 0.28 1.06 0.00 0.00 176.91 178.10 1ut4 h VAL 29 N -0.57 1.42 0.00 -2.22 2.07 -1.18 0.25 116.25 116.02 1ut4 h VAL 29 Ca 0.00 -2.38 -0.14 0.00 0.82 0.00 0.00 66.70 65.00 1ut4 h VAL 29 Cb 0.58 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1ut4 h VAL 29 CO 0.00 0.60 -1.01 1.56 0.02 0.00 0.00 177.57 178.74 1ut4 h GLN 30 N -0.71 0.00 0.00 1.57 1.08 -1.21 -3.15 115.11 112.69 1ut4 h GLN 30 Ca -0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1ut4 h GLN 30 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1ut4 h GLN 30 CO 0.01 0.42 -0.44 0.66 -0.95 0.00 0.00 178.83 178.53 1ut4 n TYR 31 N -3.06 0.00 0.06 2.96 4.01 -1.08 -4.35 117.16 115.70 1ut4 n TYR 31 Ca -0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 1ut4 n TYR 31 Cb 0.80 -0.22 -0.09 0.00 -0.31 0.00 0.00 39.34 39.53 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 -0.44 -0.12 -0.31 7.72 5.85 -1.19 0.32 115.31 127.15 1ut4 h LEU 32 Ca 0.00 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1ut4 h LEU 32 Cb 0.44 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1ut4 h LEU 32 CO 0.00 0.20 0.04 0.00 -0.34 0.00 0.00 178.44 178.34 1ut4 h ARG 34 N 0.34 0.00 -0.42 0.00 2.47 -1.50 -2.68 114.38 112.59 1ut4 h ARG 34 Ca 0.09 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.73 1ut4 h ARG 34 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1ut4 h ARG 34 CO 0.01 0.03 -0.07 -0.22 0.56 0.00 0.00 179.97 180.28 1ut4 h LYS 35 N 0.00 0.79 -0.13 0.04 3.64 -0.58 -1.80 116.57 118.54 1ut4 h LYS 35 Ca -0.00 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1ut4 h LYS 35 Cb 0.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ut4 h LYS 35 CO 0.00 0.90 0.04 0.00 -2.27 0.00 0.00 179.45 178.12 1ut4 h ALA 36 N 0.87 1.83 -0.00 5.00 0.00 -1.52 -2.34 119.26 123.10 1ut4 h ALA 36 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ut4 h ALA 36 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ut4 h ALA 36 CO 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.36 1ut4 n ALA 37 N -2.51 2.49 -1.46 0.00 0.00 -0.85 -4.94 120.51 113.24 1ut4 n ALA 37 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ut4 n ALA 37 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.48 0.42 3.74 0.00 0.00 -0.74 -5.02 105.19 105.07 1ut4 n GLY 38 Ca 0.07 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 3.22 0.06 1.61 2.02 -0.93 -4.92 117.35 116.41 1ut4 s TYR 39 Ca 0.00 1.15 -0.18 0.00 -0.37 0.00 0.00 57.07 57.67 1ut4 s TYR 39 Cb 0.00 -3.64 -0.08 0.00 -0.40 0.00 0.00 41.96 37.84 1ut4 s TYR 39 CO 0.00 -2.06 1.29 0.22 -1.57 0.00 0.00 175.55 173.43 1ut4 h ASP 40 N 5.54 -0.88 -0.12 2.29 3.58 -1.95 -1.59 116.42 123.29 1ut4 h ASP 40 Ca -0.44 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.13 1ut4 h ASP 40 Cb 1.21 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 42.59 1ut4 h ASP 40 CO 0.79 -0.28 0.08 2.19 -2.88 0.00 0.00 179.24 179.14 1ut4 h PHE 41 N -0.37 0.00 -0.13 0.28 -5.15 -1.97 -0.75 116.94 108.84 1ut4 h PHE 41 Ca 0.00 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.57 1ut4 h PHE 41 Cb 0.39 -0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.56 1ut4 h PHE 41 CO -0.43 0.00 -0.73 1.03 -2.00 0.00 0.00 178.31 176.19 1ut4 h SER 42 N 0.00 0.73 0.06 -0.68 0.87 -1.75 -2.54 113.55 110.25 1ut4 h SER 42 Ca 0.05 -0.47 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 1ut4 h SER 42 Cb 0.22 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ut4 h SER 42 CO -0.00 1.24 -0.20 -0.07 -0.53 0.00 0.00 176.83 177.26 1ut4 h LEU 43 N 0.43 0.25 0.00 2.23 4.07 -0.18 -3.34 115.31 118.77 1ut4 h LEU 43 Ca -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1ut4 h LEU 43 Cb 1.33 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1ut4 h LEU 43 CO 0.14 0.47 -1.60 0.00 -1.08 0.00 0.00 178.44 176.37 1ut4 n GLN 44 N -4.20 0.61 0.01 1.13 3.00 -0.70 -4.40 117.38 112.84 1ut4 n GLN 44 Ca -0.01 -0.13 0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1ut4 n GLN 44 Cb 0.33 -1.45 -0.12 0.00 0.00 0.00 0.00 30.24 28.99 1ut4 n GLN 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ut4 n LEU 45 N -1.96 0.26 -4.00 1.08 4.77 -0.96 -4.84 117.00 111.35 1ut4 n LEU 45 Ca -0.01 0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 1ut4 n LEU 45 Cb 0.45 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.36 1ut4 n LEU 45 CO 0.41 -0.01 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.37 1ut4 s ILE 46 N -3.44 1.03 0.17 -0.08 1.01 -1.25 -4.76 121.20 113.88 1ut4 s ILE 46 Ca -0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1ut4 s ILE 46 Cb 0.13 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.58 1ut4 s ILE 46 CO 0.88 0.33 1.10 0.00 0.00 0.00 0.00 174.94 177.25 1ut4 s ALA 47 N 0.68 3.37 -0.01 9.38 0.00 -1.26 -4.73 121.76 129.18 1ut4 s ALA 47 Ca -0.14 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 1ut4 s ALA 47 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1ut4 s ALA 47 CO 0.03 -0.21 0.89 -1.21 0.00 0.00 0.00 175.76 175.26 1ut4 s GLU 48 N -0.31 4.53 -0.13 0.00 2.02 -1.26 -1.25 118.70 122.29 1ut4 s GLU 48 Ca 0.50 1.25 -0.29 0.00 0.02 0.00 0.00 54.97 56.45 1ut4 s GLU 48 Cb -0.29 -3.45 0.07 0.00 0.10 0.00 0.00 34.13 30.56 1ut4 s GLU 48 CO 0.35 0.00 0.70 -1.50 0.02 0.00 0.00 175.26 174.83 1ut4 s ILE 49 N 0.88 0.00 -0.67 -1.63 2.07 -0.17 -4.95 121.20 116.73 1ut4 s ILE 49 Ca 0.47 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.49 1ut4 s ILE 49 Cb -0.20 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.46 1ut4 s ILE 49 CO 0.25 0.00 0.97 -0.62 -1.91 0.00 0.00 174.94 173.63 1ut4 s ASP 50 N -0.61 6.18 0.52 4.50 -1.08 -1.26 -3.89 116.67 121.02 1ut4 s ASP 50 Ca -0.07 -1.00 0.19 0.00 -0.52 0.00 0.00 52.55 51.15 1ut4 s ASP 50 Cb -0.02 -2.42 1.33 0.00 -1.46 0.00 0.00 42.92 40.35 1ut4 s ASP 50 CO 0.07 -1.45 2.13 -0.07 0.52 0.00 0.00 175.17 176.37 1ut4 h LEU 51 N 11.38 0.00 -0.51 -1.34 3.38 -1.96 -2.79 115.31 123.47 1ut4 h LEU 51 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ut4 h LEU 51 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ut4 h LEU 51 CO 1.18 0.05 0.00 -1.22 0.09 0.00 0.00 178.44 178.54 1ut4 n TYR 52 N -4.30 0.08 1.40 1.13 4.02 -1.26 -2.74 117.16 115.49 1ut4 n TYR 52 Ca -0.03 -0.04 0.14 0.00 -0.01 0.00 0.00 57.90 57.96 1ut4 n TYR 52 Cb 0.13 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 39.91 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 -0.30 1.39 -4.20 -0.72 5.02 -1.05 -3.89 118.16 114.41 1ut4 n LYS 53 Ca 0.16 -0.82 -0.14 0.00 -2.02 0.00 0.00 58.31 55.49 1ut4 n LYS 53 Cb 0.19 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1ut4 n LYS 53 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ut4 s PHE 54 N -2.18 1.11 0.16 2.13 0.08 -1.11 -4.52 117.98 113.66 1ut4 s PHE 54 Ca 0.33 -0.72 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 1ut4 s PHE 54 Cb 0.20 -0.59 -0.08 0.00 -0.57 0.00 0.00 43.02 41.98 1ut4 s PHE 54 CO 0.40 0.01 0.86 -0.51 -0.10 0.00 0.00 175.22 175.87 1ut4 s ASP 55 N -2.74 7.47 0.56 1.36 1.01 -1.26 -3.66 116.67 119.40 1ut4 s ASP 55 Ca 0.10 1.74 0.25 0.00 0.71 0.00 0.00 52.55 55.35 1ut4 s ASP 55 Cb -0.00 -2.54 1.53 0.00 1.01 0.00 0.00 42.92 42.91 1ut4 s ASP 55 CO -0.00 0.12 2.10 1.55 0.21 0.00 0.00 175.17 179.15 1ut4 h PRO 56 N 4.65 0.00 0.00 8.23 0.13 -1.91 -1.88 132.00 141.22 1ut4 h PRO 56 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ut4 h PRO 56 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ut4 h PRO 56 CO 0.68 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.78 1ut4 n TRP 57 N -4.09 0.14 0.36 1.56 2.14 -1.26 -1.50 117.44 114.78 1ut4 n TRP 57 Ca 0.02 0.05 0.12 0.00 2.07 0.00 0.00 57.50 59.76 1ut4 n TRP 57 Cb 0.32 -0.57 0.24 0.00 -0.81 0.00 0.00 31.31 30.49 1ut4 n TRP 57 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1ut4 h VAL 58 N 0.00 0.00 -0.24 -1.67 2.07 -1.74 -3.40 116.25 111.26 1ut4 h VAL 58 Ca 0.00 -0.81 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 1ut4 h VAL 58 Cb 0.44 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1ut4 h VAL 58 CO 0.00 0.00 -0.50 -0.07 0.02 0.00 0.00 177.57 177.02 1ut4 h LEU 59 N 0.00 0.74 -1.24 2.57 3.38 -1.37 -3.03 115.31 116.36 1ut4 h LEU 59 Ca 0.00 -0.38 0.28 0.00 0.09 0.00 0.00 57.88 57.87 1ut4 h LEU 59 Cb 0.90 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1ut4 h LEU 59 CO 0.00 1.11 0.66 -0.65 0.09 0.00 0.00 178.44 179.65 1ut4 h PRO 60 N 0.53 0.41 0.00 1.13 0.11 -1.79 0.12 132.00 132.51 1ut4 h PRO 60 Ca 0.02 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1ut4 h PRO 60 Cb 1.06 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ut4 h PRO 60 CO 0.10 0.27 -0.17 -2.95 -0.21 0.00 0.00 178.00 175.04 1ut4 h ASN 61 N 0.42 0.00 0.11 -2.05 -1.07 -1.84 -3.13 115.58 108.01 1ut4 h ASN 61 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.01 1ut4 h ASN 61 Cb 1.52 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.77 1ut4 h ASN 61 CO -0.38 0.17 -0.12 0.29 0.07 0.00 0.00 177.43 177.46 1ut4 n LYS 62 N -3.24 1.27 -3.21 4.14 5.02 0.39 -4.91 118.16 117.62 1ut4 n LYS 62 Ca 0.01 -0.73 -0.37 0.00 -2.02 0.00 0.00 58.31 55.20 1ut4 n LYS 62 Cb 0.46 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1ut4 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ut4 s ALA 63 N -2.23 3.51 0.27 7.82 0.00 -1.06 -4.88 121.76 125.19 1ut4 s ALA 63 Ca 0.32 0.06 0.33 0.00 0.00 0.00 0.00 51.96 52.66 1ut4 s ALA 63 Cb 0.20 -2.69 1.49 0.00 0.00 0.00 0.00 23.12 22.12 1ut4 s ALA 63 CO 0.42 0.38 2.04 -0.07 0.00 0.00 0.00 175.76 178.54 1ut4 h LEU 64 N 3.83 0.00 -7.69 0.00 3.38 -1.87 -3.45 115.31 109.51 1ut4 h LEU 64 Ca -0.48 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.67 1ut4 h LEU 64 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 1ut4 h LEU 64 CO 0.65 0.06 0.53 0.72 0.09 0.00 0.00 178.44 180.49 1ut4 s PHE 65 N -3.86 -0.08 0.00 1.13 -0.71 -1.26 -4.80 117.98 108.40 1ut4 s PHE 65 Ca -0.01 -0.23 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 1ut4 s PHE 65 Cb 0.11 0.65 0.00 0.00 -1.21 0.00 0.00 43.02 42.56 1ut4 s PHE 65 CO 0.55 -0.82 0.00 0.41 -1.34 0.00 0.00 175.22 174.02 1ut4 n GLY 66 N -0.52 4.75 0.25 1.99 0.00 -1.26 -4.68 105.19 105.72 1ut4 n GLY 66 Ca -0.06 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.95 0.19 0.00 1.61 1.02 -1.26 -4.85 120.64 115.40 1ut4 n GLU 67 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1ut4 n GLU 67 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.93 0.50 -4.01 3.49 5.02 -1.26 -5.07 118.16 113.90 1ut4 n LYS 68 Ca -0.15 -0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 55.87 1ut4 n LYS 68 Cb 0.64 -0.59 -0.11 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.12 0.39 0.04 1.97 2.02 -1.26 -4.47 118.70 117.28 1ut4 s GLU 69 Ca 0.00 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.34 1ut4 s GLU 69 Cb 0.00 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.18 1ut4 s GLU 69 CO 0.00 -0.02 -0.08 -1.58 0.02 0.00 0.00 175.26 173.61 1ut4 s TRP 70 N -1.46 0.67 0.02 1.61 0.51 -0.61 -4.46 118.94 115.23 1ut4 s TRP 70 Ca -0.14 -0.49 0.07 0.00 -2.12 0.00 0.00 56.10 53.43 1ut4 s TRP 70 Cb -0.10 -0.40 -0.02 0.00 -0.81 0.00 0.00 33.47 32.14 1ut4 s TRP 70 CO -0.01 -0.08 -0.22 0.71 -0.51 0.00 0.00 176.95 176.84 1ut4 s TYR 71 N -1.34 1.96 0.06 -1.98 1.51 -1.26 -0.75 117.35 115.55 1ut4 s TYR 71 Ca -0.09 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1ut4 s TYR 71 Cb -0.10 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1ut4 s TYR 71 CO 0.00 0.04 -0.00 -0.06 -1.11 0.00 0.00 175.55 174.43 1ut4 s PHE 72 N -0.67 0.51 -0.15 2.71 0.08 -0.07 -4.21 117.98 116.17 1ut4 s PHE 72 Ca 0.09 -1.04 -0.05 0.00 0.12 0.00 0.00 56.93 56.05 1ut4 s PHE 72 Cb -0.09 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 1ut4 s PHE 72 CO 0.01 -0.41 0.02 -0.06 -0.10 0.00 0.00 175.22 174.67 1ut4 s PHE 73 N -3.93 3.16 0.03 0.36 0.08 -0.38 -0.50 117.98 116.80 1ut4 s PHE 73 Ca 0.08 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.13 1ut4 s PHE 73 Cb 0.08 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1ut4 s PHE 73 CO -0.09 0.17 -0.07 0.45 -0.10 0.00 0.00 175.22 175.58 1ut4 s SER 74 N 0.06 0.82 0.25 1.36 0.15 -0.68 -1.00 113.70 114.66 1ut4 s SER 74 Ca 0.03 -0.43 -0.31 0.00 0.70 0.00 0.00 55.95 55.94 1ut4 s SER 74 Cb -0.13 0.00 -0.11 0.00 -1.71 0.00 0.00 66.02 64.07 1ut4 s SER 74 CO 0.02 -0.12 1.63 -2.84 1.20 0.00 0.00 173.24 173.12 1ut4 s PRO 75 N -1.18 4.13 0.22 5.44 0.02 -1.26 -0.92 135.00 141.45 1ut4 s PRO 75 Ca -0.06 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 1ut4 s PRO 75 Cb -0.08 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 1ut4 s PRO 75 CO 0.00 -0.66 1.36 0.50 -0.33 0.00 0.00 177.00 177.87 1ut4 s ARG 76 N 0.17 4.34 0.00 5.54 3.52 0.01 -4.67 118.95 127.86 1ut4 s ARG 76 Ca 0.67 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.43 1ut4 s ARG 76 Cb -0.48 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1ut4 s ARG 76 CO 0.41 -0.32 0.00 -3.47 -0.81 0.00 0.00 175.30 171.12 1ut4 n ASP 77 N 2.51 0.00 -4.81 -2.12 2.03 -1.26 -4.95 116.55 107.94 1ut4 n ASP 77 Ca 0.06 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.01 1ut4 n ASP 77 Cb 0.42 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 1ut4 n ASP 77 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ut4 s PRO 86 N 0.00 3.81 -0.56 -0.67 0.04 -1.26 -5.21 135.00 131.14 1ut4 s PRO 86 Ca 0.00 -0.07 -0.09 0.00 0.04 0.00 0.00 61.00 60.88 1ut4 s PRO 86 Cb 0.00 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1ut4 s PRO 86 CO 0.00 0.57 0.36 0.09 0.04 0.00 0.00 177.00 178.05 1ut4 n ASN 87 N 2.60 -2.48 -4.70 6.66 3.02 -1.24 -4.84 115.26 114.28 1ut4 n ASN 87 Ca -0.17 -0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1ut4 n ASN 87 Cb 0.53 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 -4.96 4.41 0.31 3.52 3.52 -1.08 -4.75 118.95 119.92 1ut4 s ARG 88 Ca 0.13 1.71 -0.29 0.00 -0.13 0.00 0.00 55.73 57.15 1ut4 s ARG 88 Cb -0.07 -3.44 -0.10 0.00 -1.56 0.00 0.00 34.95 29.77 1ut4 s ARG 88 CO 0.52 -0.32 1.31 0.08 -0.81 0.00 0.00 175.30 176.08 1ut4 s VAL 89 N 1.54 2.77 -0.16 7.11 1.01 -1.26 -1.68 120.40 129.73 1ut4 s VAL 89 Ca 0.57 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 1ut4 s VAL 89 Cb -0.27 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1ut4 s VAL 89 CO 0.26 0.17 0.33 0.00 0.00 0.00 0.00 175.10 175.86 1ut4 s ALA 90 N -0.93 -0.81 0.00 5.51 0.00 -0.84 -4.82 121.76 119.87 1ut4 s ALA 90 Ca 0.50 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1ut4 s ALA 90 Cb -0.39 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1ut4 s ALA 90 CO 0.50 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1ut4 n GLY 91 N 5.25 3.94 1.48 0.00 0.00 -1.24 -1.81 105.19 112.81 1ut4 n GLY 91 Ca -0.09 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 6.68 4.36 0.00 1.61 3.41 -1.26 -4.93 113.62 123.49 1ut4 n SER 92 Ca 0.00 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1ut4 n SER 92 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 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 0.54 3.81 3.45 5.00 0.00 -0.75 -0.65 105.19 116.60 1ut4 n GLY 93 Ca 0.20 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.87 -0.55 -0.22 1.61 -0.85 0.02 -1.98 117.35 114.51 1ut4 s TYR 94 Ca 0.00 1.01 -0.10 0.00 -0.52 0.00 0.00 57.07 57.46 1ut4 s TYR 94 Cb 0.00 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 1ut4 s TYR 94 CO 0.00 -0.51 0.14 -1.58 -1.52 0.00 0.00 175.55 172.08 1ut4 s TRP 95 N -0.98 3.36 -0.14 -3.49 0.52 -0.68 -1.01 118.94 116.52 1ut4 s TRP 95 Ca -0.10 0.27 -0.00 0.00 0.02 0.00 0.00 56.10 56.29 1ut4 s TRP 95 Cb -0.02 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 1ut4 s TRP 95 CO 0.07 0.19 -0.13 0.21 0.02 0.00 0.00 176.95 177.31 1ut4 s LYS 96 N 0.65 3.32 0.30 4.98 2.20 -0.32 -2.65 119.74 128.23 1ut4 s LYS 96 Ca 0.08 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1ut4 s LYS 96 Cb -0.12 -2.65 -0.11 0.00 -1.51 0.00 0.00 37.83 33.44 1ut4 s LYS 96 CO 0.01 0.12 1.56 0.00 -0.36 0.00 0.00 175.35 176.68 1ut4 s ALA 97 N 0.58 3.70 0.05 3.13 0.00 -1.26 -1.34 121.76 126.62 1ut4 s ALA 97 Ca -0.08 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1ut4 s ALA 97 Cb -0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1ut4 s ALA 97 CO 0.03 -0.97 0.02 -0.08 0.00 0.00 0.00 175.76 174.76 1ut4 s THR 98 N -0.23 0.19 0.00 0.00 -1.32 -0.64 -4.91 115.64 108.74 1ut4 s THR 98 Ca 0.61 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1ut4 s THR 98 Cb -0.47 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.25 1ut4 s THR 98 CO 0.50 -0.85 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 1ut4 n GLY 99 N 0.34 0.37 3.32 6.08 0.00 -1.26 -4.12 105.19 109.91 1ut4 n GLY 99 Ca -0.16 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 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 3.22 0.35 2.61 2.01 -1.26 -4.99 115.64 117.58 1ut4 s THR 100 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1ut4 s THR 100 Cb 0.00 -2.43 -0.11 0.00 0.01 0.00 0.00 72.50 69.97 1ut4 s THR 100 CO 0.00 0.46 1.47 -1.81 -0.69 0.00 0.00 174.62 174.05 1ut4 s ASP 101 N 1.17 6.43 -0.01 3.53 1.01 -1.26 -4.83 116.67 122.71 1ut4 s ASP 101 Ca 0.02 2.96 0.04 0.00 0.71 0.00 0.00 52.55 56.28 1ut4 s ASP 101 Cb -0.14 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.10 1ut4 s ASP 101 CO -0.02 -0.82 -0.12 -0.75 0.21 0.00 0.00 175.17 173.68 1ut4 s LYS 102 N -1.76 2.44 -0.13 8.23 2.20 -0.64 -4.97 119.74 125.11 1ut4 s LYS 102 Ca 0.54 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 55.24 1ut4 s LYS 102 Cb -0.45 -2.40 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 1ut4 s LYS 102 CO 0.59 0.60 0.32 0.42 -0.36 0.00 0.00 175.35 176.92 1ut4 s ILE 103 N -0.89 5.26 -0.19 5.43 -1.09 -1.26 -1.05 121.20 127.41 1ut4 s ILE 103 Ca 0.15 0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 59.10 1ut4 s ILE 103 Cb -0.11 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1ut4 s ILE 103 CO 0.05 0.43 0.09 -0.63 -1.23 0.00 0.00 174.94 173.65 1ut4 s ILE 104 N 0.11 5.07 0.08 2.92 -1.09 0.63 -4.97 121.20 123.96 1ut4 s ILE 104 Ca 0.19 0.07 0.09 0.00 -2.23 0.00 0.00 60.65 58.76 1ut4 s ILE 104 Cb -0.14 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1ut4 s ILE 104 CO 0.06 0.45 -0.23 -0.44 -1.23 0.00 0.00 174.94 173.56 1ut4 s SER 105 N 0.34 2.77 -0.08 3.58 0.01 -1.26 -0.98 113.70 118.08 1ut4 s SER 105 Ca 0.05 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1ut4 s SER 105 Cb -0.12 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.93 1ut4 s SER 105 CO -0.01 0.14 -0.10 0.28 0.41 0.00 0.00 173.24 173.96 1ut4 s THR 106 N -0.98 1.06 -1.48 1.44 -1.32 0.48 -4.85 115.64 109.98 1ut4 s THR 106 Ca 0.09 -0.39 -0.06 0.00 -1.21 0.00 0.00 61.69 60.12 1ut4 s THR 106 Cb -0.10 -1.01 0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1ut4 s THR 106 CO 0.04 0.35 0.60 -0.62 -2.21 0.00 0.00 174.62 172.78 1ut4 n GLU 107 N 4.20 -3.70 -0.96 7.08 1.02 -1.26 -0.45 120.64 126.57 1ut4 n GLU 107 Ca -0.20 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1ut4 n GLU 107 Cb 0.51 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.09 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 -1.77 0.34 3.53 0.62 0.00 -1.26 -5.02 105.19 101.63 1ut4 n GLY 108 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.77 2.83 -0.13 1.61 -1.52 0.40 -5.09 119.66 116.99 1ut4 s GLN 109 Ca 0.00 -0.60 -0.29 0.00 -1.95 0.00 0.00 55.36 52.52 1ut4 s GLN 109 Cb 0.00 -2.57 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 1ut4 s GLN 109 CO 0.00 0.57 1.01 1.03 -0.25 0.00 0.00 175.29 177.65 1ut4 s ARG 110 N -0.57 4.38 -0.02 2.91 0.52 -1.26 -0.39 118.95 124.53 1ut4 s ARG 110 Ca 0.08 1.37 0.03 0.00 -0.52 0.00 0.00 55.73 56.69 1ut4 s ARG 110 Cb -0.12 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1ut4 s ARG 110 CO 0.02 -0.38 0.03 1.33 0.02 0.00 0.00 175.30 176.32 1ut4 n VAL 111 N 4.72 0.13 -3.83 3.52 0.24 -0.15 -4.88 118.33 118.08 1ut4 n VAL 111 Ca 0.09 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.19 1ut4 n VAL 111 Cb 0.48 -0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 32.39 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 -3.01 0.10 -0.07 7.63 0.00 -1.02 -1.99 107.32 108.95 1ut4 s GLY 112 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1ut4 s GLY 112 CO 0.13 -0.38 -0.19 -0.42 0.00 0.00 0.00 173.10 172.24 1ut4 s ILE 113 N -3.92 1.61 -0.20 0.90 1.01 0.03 -0.27 121.20 120.37 1ut4 s ILE 113 Ca 0.13 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1ut4 s ILE 113 Cb -0.01 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1ut4 s ILE 113 CO 0.01 0.46 0.08 -0.75 0.00 0.00 0.00 174.94 174.73 1ut4 s LYS 114 N 0.26 3.92 -0.08 2.79 2.20 -0.22 -1.30 119.74 127.32 1ut4 s LYS 114 Ca -0.11 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.18 1ut4 s LYS 114 Cb -0.15 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1ut4 s LYS 114 CO 0.05 0.16 -0.21 0.21 -0.36 0.00 0.00 175.35 175.20 1ut4 s LYS 115 N 0.70 2.48 0.05 4.03 2.20 -0.31 -1.61 119.74 127.27 1ut4 s LYS 115 Ca 0.04 -0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 54.77 1ut4 s LYS 115 Cb -0.13 -1.97 -0.06 0.00 -1.51 0.00 0.00 37.83 34.16 1ut4 s LYS 115 CO 0.02 0.19 0.43 0.00 -0.36 0.00 0.00 175.35 175.63 1ut4 s ALA 116 N 0.29 3.68 0.04 3.13 0.00 -1.26 -0.45 121.76 127.19 1ut4 s ALA 116 Ca -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1ut4 s ALA 116 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1ut4 s ALA 116 CO 0.06 0.50 -0.03 -0.51 0.00 0.00 0.00 175.76 175.78 1ut4 s LEU 117 N -1.44 2.41 -0.01 0.00 1.02 0.27 -1.62 118.68 119.31 1ut4 s LEU 117 Ca 0.29 -0.84 0.06 0.00 0.02 0.00 0.00 54.13 53.65 1ut4 s LEU 117 Cb -0.16 0.16 -0.02 0.00 0.02 0.00 0.00 46.19 46.20 1ut4 s LEU 117 CO 0.16 -0.50 -0.18 -0.69 0.02 0.00 0.00 176.35 175.15 1ut4 s VAL 118 N -3.13 1.44 -0.11 -1.59 1.01 -0.45 -1.02 120.40 116.54 1ut4 s VAL 118 Ca -0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1ut4 s VAL 118 Cb 0.02 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1ut4 s VAL 118 CO -0.07 0.37 0.64 0.12 0.00 0.00 0.00 175.10 176.16 1ut4 s PHE 119 N -0.48 3.51 -0.09 5.22 5.36 -0.71 -1.17 117.98 129.61 1ut4 s PHE 119 Ca 0.07 1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1ut4 s PHE 119 Cb -0.07 -2.76 -0.03 0.00 -0.34 0.00 0.00 43.02 39.82 1ut4 s PHE 119 CO -0.00 0.03 -0.02 0.71 -1.46 0.00 0.00 175.22 174.47 1ut4 s TYR 120 N 1.09 3.07 0.04 10.12 1.51 -0.18 -1.26 117.35 131.75 1ut4 s TYR 120 Ca 0.33 0.07 -0.19 0.00 -1.01 0.00 0.00 57.07 56.26 1ut4 s TYR 120 Cb -0.17 -1.80 -0.06 0.00 -0.11 0.00 0.00 41.96 39.83 1ut4 s TYR 120 CO 0.14 0.35 0.57 0.42 -1.11 0.00 0.00 175.55 175.92 1ut4 s ILE 121 N -0.65 4.82 0.00 2.71 1.01 -0.62 -0.80 121.20 127.68 1ut4 s ILE 121 Ca 0.10 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1ut4 s ILE 121 Cb -0.12 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1ut4 s ILE 121 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1ut4 n GLY 122 N 2.01 -0.15 3.14 6.18 0.00 0.18 -1.74 105.19 114.81 1ut4 n GLY 122 Ca -0.09 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 2.74 0.55 1.61 2.20 -1.26 -4.11 119.74 121.46 1ut4 s LYS 123 Ca 0.00 -0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 1ut4 s LYS 123 Cb 0.00 -2.21 -0.05 0.00 -1.51 0.00 0.00 37.83 34.06 1ut4 s LYS 123 CO 0.00 -0.00 1.34 0.00 -0.36 0.00 0.00 175.35 176.33 1ut4 n ALA 124 N 4.02 1.53 -1.53 3.13 0.00 -1.26 -0.88 120.51 125.52 1ut4 n ALA 124 Ca -0.20 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1ut4 n ALA 124 Cb 0.52 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.69 1ut4 n ALA 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ut4 n PRO 125 N -1.00 2.74 -0.30 0.00 -0.04 -1.26 -4.92 135.00 130.21 1ut4 n PRO 125 Ca 0.11 -3.39 0.08 0.00 -0.04 0.00 0.00 63.50 60.25 1ut4 n PRO 125 Cb 0.45 -2.28 0.18 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 -0.80 1.57 -2.27 0.54 5.02 -0.06 -5.05 118.16 117.11 1ut4 n LYS 126 Ca 0.60 -2.84 -0.27 0.00 -2.02 0.00 0.00 58.31 53.77 1ut4 n LYS 126 Cb 0.54 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.85 1.61 -0.09 0.72 0.00 -1.21 -4.69 107.32 100.80 1ut4 s GLY 127 Ca 0.36 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 1ut4 s GLY 127 CO 0.01 -0.33 -0.04 -0.51 0.00 0.00 0.00 173.10 172.23 1ut4 s THR 128 N -3.09 3.90 0.37 0.90 -4.23 -0.71 -4.89 115.64 107.90 1ut4 s THR 128 Ca 0.55 -0.39 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 1ut4 s THR 128 Cb -0.11 -2.63 -0.10 0.00 1.34 0.00 0.00 72.50 71.00 1ut4 s THR 128 CO 0.47 0.58 1.40 -0.75 -0.54 0.00 0.00 174.62 175.77 1ut4 s LYS 129 N -0.54 4.14 0.53 3.99 2.20 -1.26 -1.58 119.74 127.21 1ut4 s LYS 129 Ca 0.08 2.39 0.03 0.00 -0.36 0.00 0.00 55.97 58.12 1ut4 s LYS 129 Cb -0.12 -2.95 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1ut4 s LYS 129 CO 0.02 -0.44 0.16 0.95 -0.36 0.00 0.00 175.35 175.69 1ut4 s THR 130 N -1.15 1.35 -2.32 3.43 -4.23 -0.38 -4.89 115.64 107.44 1ut4 s THR 130 Ca 0.53 -1.80 0.29 0.00 -1.18 0.00 0.00 61.69 59.53 1ut4 s THR 130 Cb -0.43 -2.14 0.66 0.00 1.34 0.00 0.00 72.50 71.92 1ut4 s THR 130 CO 0.58 0.00 1.88 0.59 -0.54 0.00 0.00 174.62 177.13 1ut4 n ASN 131 N -1.47 1.00 -4.68 3.99 5.03 -1.26 -4.66 115.26 113.20 1ut4 n ASN 131 Ca -0.12 -1.35 -0.42 0.00 0.87 0.00 0.00 54.58 53.55 1ut4 n ASN 131 Cb 0.66 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.39 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 -1.99 3.11 0.05 3.10 0.52 -1.26 -1.10 118.94 121.38 1ut4 s TRP 132 Ca 0.41 1.17 0.09 0.00 0.02 0.00 0.00 56.10 57.78 1ut4 s TRP 132 Cb 0.21 -3.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 1ut4 s TRP 132 CO 0.34 -1.41 -0.23 0.42 0.02 0.00 0.00 176.95 176.09 1ut4 s ILE 133 N 2.49 2.45 -0.00 2.03 -1.09 0.03 -1.75 121.20 125.36 1ut4 s ILE 133 Ca 0.56 -1.35 0.06 0.00 -2.23 0.00 0.00 60.65 57.69 1ut4 s ILE 133 Cb -0.24 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.62 1ut4 s ILE 133 CO 0.20 0.32 -0.20 -0.32 -1.23 0.00 0.00 174.94 173.71 1ut4 s MET 134 N -1.44 1.55 -0.28 2.79 -2.45 -0.19 -1.71 119.30 117.58 1ut4 s MET 134 Ca 0.13 -0.74 -0.03 0.00 -1.25 0.00 0.00 55.69 53.80 1ut4 s MET 134 Cb -0.10 -1.52 0.03 0.00 1.25 0.00 0.00 34.83 34.48 1ut4 s MET 134 CO 0.04 0.41 -0.00 -1.01 1.05 0.00 0.00 175.02 175.51 1ut4 s HIS 135 N -0.52 3.14 -0.32 4.11 3.76 0.29 -0.57 115.29 125.18 1ut4 s HIS 135 Ca 0.07 -1.44 -0.11 0.00 -0.15 0.00 0.00 55.06 53.43 1ut4 s HIS 135 Cb -0.08 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 1ut4 s HIS 135 CO -0.00 -0.70 0.19 -2.00 -0.85 0.00 0.00 174.74 171.38 1ut4 s GLU 136 N 1.37 3.45 -0.21 1.40 2.12 0.40 -1.36 118.70 125.87 1ut4 s GLU 136 Ca -0.00 -0.65 -0.10 0.00 0.36 0.00 0.00 54.97 54.58 1ut4 s GLU 136 Cb -0.17 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 30.49 1ut4 s GLU 136 CO -0.01 -0.41 0.13 0.71 -0.54 0.00 0.00 175.26 175.14 1ut4 s TYR 137 N 1.67 3.37 0.06 5.30 1.51 0.40 -1.17 117.35 128.50 1ut4 s TYR 137 Ca 0.05 0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.44 1ut4 s TYR 137 Cb -0.17 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1ut4 s TYR 137 CO 0.08 0.22 -0.14 -0.98 -1.11 0.00 0.00 175.55 173.63 1ut4 s ARG 138 N 0.53 0.82 0.35 -0.62 1.70 -0.42 -1.28 118.95 120.02 1ut4 s ARG 138 Ca 0.07 -0.91 -0.26 0.00 -0.47 0.00 0.00 55.73 54.16 1ut4 s ARG 138 Cb -0.12 -0.81 -0.09 0.00 -0.57 0.00 0.00 34.95 33.35 1ut4 s ARG 138 CO -0.00 0.18 1.01 -0.51 -1.08 0.00 0.00 175.30 174.90 1ut4 s LEU 139 N -1.64 4.29 -0.67 -1.89 1.43 -1.26 -0.79 118.68 118.15 1ut4 s LEU 139 Ca -0.02 1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 54.80 1ut4 s LEU 139 Cb -0.10 -4.02 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1ut4 s LEU 139 CO 0.02 -0.26 1.29 -0.63 0.23 0.00 0.00 176.35 177.00 1ut4 s ILE 140 N -1.55 3.79 -0.24 -0.59 1.01 -0.84 -4.87 121.20 117.90 1ut4 s ILE 140 Ca 0.52 0.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 1ut4 s ILE 140 Cb -0.22 -4.78 0.12 0.00 0.01 0.00 0.00 42.46 37.59 1ut4 s ILE 140 CO 0.28 -1.62 1.03 -1.83 0.00 0.00 0.00 174.94 172.80 1ut4 s GLU 141 N 5.56 0.53 1.18 2.79 -1.05 -1.26 -4.96 118.70 121.48 1ut4 s GLU 141 Ca 0.40 0.45 -0.18 0.00 -0.15 0.00 0.00 54.97 55.50 1ut4 s GLU 141 Cb -0.08 0.25 0.22 0.00 -0.44 0.00 0.00 34.13 34.08 1ut4 s GLU 141 CO 0.19 -0.10 0.45 -2.30 0.95 0.00 0.00 175.26 174.45 1ut4 n PRO 142 N 1.76 -2.78 -2.59 -4.83 -0.02 -1.26 -5.25 135.00 120.03 1ut4 n PRO 142 Ca -0.12 -0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 60.12 1ut4 n PRO 142 Cb 0.56 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 1ut4 n PRO 142 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ut4 s SER 143 N -2.25 6.56 1.00 2.55 0.01 -1.26 -5.20 113.70 115.11 1ut4 s SER 143 Ca 0.53 0.32 -0.12 0.00 1.31 0.00 0.00 55.95 57.99 1ut4 s SER 143 Cb -0.11 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.76 1ut4 s SER 143 CO 0.52 -1.34 1.09 -0.62 0.41 0.00 0.00 173.24 173.29 1ut4 s ASP 152 N 2.66 2.58 -0.31 2.44 2.15 -1.26 -5.28 116.67 119.65 1ut4 s ASP 152 Ca 0.46 1.21 0.03 0.00 0.43 0.00 0.00 52.55 54.67 1ut4 s ASP 152 Cb -0.07 -1.88 0.09 0.00 -0.30 0.00 0.00 42.92 40.76 1ut4 s ASP 152 CO 0.29 -3.16 0.02 -0.62 -0.17 0.00 0.00 175.17 171.53 1ut4 s ASP 153 N -3.43 4.51 0.22 -0.34 2.15 -1.26 -4.89 116.67 113.63 1ut4 s ASP 153 Ca 0.65 -1.86 0.10 0.00 0.43 0.00 0.00 52.55 51.88 1ut4 s ASP 153 Cb -0.19 -1.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.94 1ut4 s ASP 153 CO 0.58 -0.34 -0.20 0.26 -0.17 0.00 0.00 175.17 175.30 1ut4 s TRP 154 N 1.09 2.10 0.14 -5.34 0.52 -1.26 -0.81 118.94 115.39 1ut4 s TRP 154 Ca 0.06 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.83 1ut4 s TRP 154 Cb -0.19 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.11 1ut4 s TRP 154 CO -0.10 0.52 0.03 0.14 0.02 0.00 0.00 176.95 177.57 1ut4 s VAL 155 N -2.27 4.01 -0.22 4.03 -7.23 -0.10 -4.64 120.40 113.99 1ut4 s VAL 155 Ca 0.23 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 59.15 1ut4 s VAL 155 Cb -0.05 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1ut4 s VAL 155 CO 0.11 -0.02 0.08 -0.22 -0.31 0.00 0.00 175.10 174.73 1ut4 s LEU 156 N -2.74 3.71 -0.09 1.32 2.96 -0.40 -1.69 118.68 121.74 1ut4 s LEU 156 Ca 0.28 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1ut4 s LEU 156 Cb -0.10 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1ut4 s LEU 156 CO 0.20 0.08 -0.22 0.00 -1.32 0.00 0.00 176.35 175.09 1ut4 s ARG 158 N 0.37 4.14 -0.07 0.00 3.52 -0.47 -0.90 118.95 125.55 1ut4 s ARG 158 Ca -0.17 0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 1ut4 s ARG 158 Cb -0.17 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1ut4 s ARG 158 CO 0.08 0.35 -0.21 0.42 -0.81 0.00 0.00 175.30 175.13 1ut4 s ILE 159 N 0.08 2.41 0.25 4.11 -1.09 0.07 -0.54 121.20 126.49 1ut4 s ILE 159 Ca 0.19 -0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 57.51 1ut4 s ILE 159 Cb -0.14 -1.91 0.01 0.00 -1.58 0.00 0.00 42.46 38.84 1ut4 s ILE 159 CO 0.07 0.57 0.56 -0.72 -1.23 0.00 0.00 174.94 174.19 1ut4 s TYR 160 N -0.20 0.10 -0.20 3.97 1.13 -0.69 -1.57 117.35 119.88 1ut4 s TYR 160 Ca -0.02 -0.49 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 1ut4 s TYR 160 Cb -0.13 0.39 -0.00 0.00 -1.10 0.00 0.00 41.96 41.12 1ut4 s TYR 160 CO 0.03 -1.06 -0.08 0.21 -2.51 0.00 0.00 175.55 172.15 1ut4 s LYS 161 N -3.96 3.32 0.56 -3.49 2.20 -1.26 -0.79 119.74 116.33 1ut4 s LYS 161 Ca 0.16 -0.66 -0.21 0.00 -0.36 0.00 0.00 55.97 54.90 1ut4 s LYS 161 Cb -0.02 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1ut4 s LYS 161 CO 0.06 -0.15 1.34 0.21 -0.36 0.00 0.00 175.35 176.46 1ut4 s LYS 162 N 1.31 3.03 0.00 4.03 2.20 -0.26 -4.99 119.74 125.06 1ut4 s LYS 162 Ca 0.04 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1ut4 s LYS 162 Cb -0.14 -2.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1ut4 s LYS 162 CO -0.04 -1.26 0.00 0.94 -0.36 0.00 0.00 175.35 174.63