#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug7 n SER 2 N 0.00 -0.57 0.24 1.61 3.41 -1.26 -4.94 113.62 112.12 1ug7 n SER 2 Ca 0.00 0.52 -0.16 0.00 -0.26 0.00 0.00 58.87 58.96 1ug7 n SER 2 Cb 0.00 0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 1ug7 n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ug7 h SER 3 N 0.00 -1.29 0.00 4.04 0.87 -1.98 -3.48 113.55 111.71 1ug7 h SER 3 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ug7 h SER 3 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1ug7 h SER 3 CO 0.00 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 176.32 1ug7 n GLY 4 N -1.50 1.87 3.40 5.77 0.00 -1.26 -4.97 105.19 108.49 1ug7 n GLY 4 Ca -0.10 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1ug7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug7 s SER 5 N -4.00 3.50 0.33 1.61 0.15 -1.26 -5.09 113.70 108.94 1ug7 s SER 5 Ca 0.00 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.91 1ug7 s SER 5 Cb 0.00 -0.50 -0.10 0.00 -1.71 0.00 0.00 66.02 63.71 1ug7 s SER 5 CO 0.00 0.28 1.37 -0.55 1.20 0.00 0.00 173.24 175.55 1ug7 s SER 6 N -1.11 6.65 0.00 5.45 0.15 -1.26 -4.47 113.70 119.11 1ug7 s SER 6 Ca 0.12 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.54 1ug7 s SER 6 Cb -0.10 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1ug7 s SER 6 CO 0.02 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1ug7 n GLY 7 N 0.98 1.21 3.04 9.45 0.00 -1.26 -4.97 105.19 113.63 1ug7 n GLY 7 Ca 0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ug7 s MET 8 N 0.00 0.47 0.00 1.61 1.75 -1.26 -5.01 119.30 116.85 1ug7 s MET 8 Ca 0.00 0.74 0.00 0.00 -1.25 0.00 0.00 55.69 55.18 1ug7 s MET 8 Cb 0.00 0.05 0.00 0.00 2.84 0.00 0.00 34.83 37.72 1ug7 s MET 8 CO 0.00 -0.67 0.96 0.43 -0.65 0.00 0.00 175.02 175.09 1ug7 n SER 9 N 5.40 0.00 0.00 1.11 7.64 -1.26 -4.88 113.62 121.62 1ug7 n SER 9 Ca -0.02 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1ug7 n SER 9 Cb 0.51 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1ug7 n SER 9 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ug7 n GLU 10 N -2.63 0.00 0.10 1.43 0.28 -1.26 -4.96 120.64 113.60 1ug7 n GLU 10 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1ug7 n GLU 10 Cb 0.00 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.06 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1ug7 h VAL 11 N 0.00 1.34 -0.03 3.84 -1.51 -2.01 -2.59 116.25 115.30 1ug7 h VAL 11 Ca 0.00 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 1ug7 h VAL 11 Cb 0.00 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1ug7 h VAL 11 CO 0.00 0.50 0.02 0.74 -1.23 0.00 0.00 177.57 177.60 1ug7 h THR 12 N 0.17 1.00 -0.16 7.19 2.02 -1.93 -0.61 112.91 120.60 1ug7 h THR 12 Ca 0.01 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1ug7 h THR 12 Cb 0.92 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1ug7 h THR 12 CO 0.07 0.00 -0.57 -0.09 0.37 0.00 0.00 175.52 175.31 1ug7 h ARG 13 N 0.02 0.48 0.00 6.66 2.43 -1.85 -2.75 114.38 119.37 1ug7 h ARG 13 Ca 0.01 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 1ug7 h ARG 13 Cb 0.02 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1ug7 h ARG 13 CO -0.00 0.92 -0.29 1.03 -1.51 0.00 0.00 179.97 180.11 1ug7 h SER 14 N 0.37 0.00 0.31 -3.80 0.87 -1.11 -2.99 113.55 107.21 1ug7 h SER 14 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1ug7 h SER 14 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1ug7 h SER 14 CO 0.10 0.29 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.48 1ug7 h LEU 15 N 0.00 -0.36 -1.77 2.23 3.38 -1.14 -1.63 115.31 116.03 1ug7 h LEU 15 Ca -0.00 0.01 0.47 0.00 0.09 0.00 0.00 57.88 58.45 1ug7 h LEU 15 Cb 0.62 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1ug7 h LEU 15 CO 0.04 -0.14 1.30 -0.07 0.09 0.00 0.00 178.44 179.66 1ug7 h LEU 16 N -0.65 0.00 0.04 1.67 3.38 -1.51 0.81 115.31 119.06 1ug7 h LEU 16 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ug7 h LEU 16 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ug7 h LEU 16 CO 0.07 0.00 -0.02 1.56 0.09 0.00 0.00 178.44 180.14 1ug7 h GLN 17 N 0.00 -0.05 -0.87 1.13 1.08 -1.36 0.17 115.11 115.20 1ug7 h GLN 17 Ca 0.78 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 58.19 1ug7 h GLN 17 Cb 3.37 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 30.75 1ug7 h GLN 17 CO -0.01 -0.03 0.59 0.07 -0.95 0.00 0.00 178.83 178.50 1ug7 h ARG 18 N -0.12 0.27 0.36 1.46 -0.00 0.12 0.40 114.38 116.86 1ug7 h ARG 18 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.94 1ug7 h ARG 18 Cb 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1ug7 h ARG 18 CO 0.01 0.18 -0.17 -1.49 -0.00 0.00 0.00 179.97 178.50 1ug7 h TRP 19 N 0.28 -0.44 -0.16 4.08 6.55 0.44 -2.10 115.95 124.60 1ug7 h TRP 19 Ca 0.44 -0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.32 1ug7 h TRP 19 Cb 1.29 0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 29.73 1ug7 h TRP 19 CO -0.00 -0.28 0.42 0.78 -1.05 0.00 0.00 178.44 178.31 1ug7 h GLY 20 N -0.71 0.00 2.00 1.49 0.00 -0.06 1.23 103.07 107.02 1ug7 h GLY 20 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 1ug7 h GLY 20 CO 0.08 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 175.93 1ug7 h ALA 21 N 1.31 0.67 0.44 3.60 0.00 -0.04 -2.47 119.26 122.77 1ug7 h ALA 21 Ca 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1ug7 h ALA 21 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ug7 h ALA 21 CO -0.00 0.87 -0.21 1.03 0.00 0.00 0.00 179.25 180.93 1ug7 h SER 22 N 0.00 -0.50 0.01 0.00 0.87 0.22 -2.59 113.55 111.56 1ug7 h SER 22 Ca -0.01 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1ug7 h SER 22 Cb 1.39 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.43 1ug7 h SER 22 CO 0.09 -0.07 -0.34 0.25 -0.53 0.00 0.00 176.83 176.22 1ug7 h LEU 23 N -1.11 -1.03 -0.89 2.23 5.85 -1.58 1.32 115.31 120.10 1ug7 h LEU 23 Ca -0.06 0.13 0.22 0.00 0.84 0.00 0.00 57.88 59.01 1ug7 h LEU 23 Cb 0.51 0.41 -0.16 0.00 0.37 0.00 0.00 40.66 41.79 1ug7 h LEU 23 CO 0.10 -0.40 -0.00 -0.09 -0.34 0.00 0.00 178.44 177.70 1ug7 h ARG 24 N -0.50 0.06 0.19 1.25 2.43 -1.54 -0.28 114.38 115.98 1ug7 h ARG 24 Ca 0.06 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1ug7 h ARG 24 Cb 0.58 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1ug7 h ARG 24 CO -0.28 0.04 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.04 1ug7 h ARG 25 N 0.06 -0.24 -1.77 0.20 2.43 -0.79 -2.70 114.38 111.57 1ug7 h ARG 25 Ca 0.50 0.02 0.51 0.00 -0.81 0.00 0.00 59.98 60.20 1ug7 h ARG 25 Cb 0.95 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.49 1ug7 h ARG 25 CO -0.81 0.14 1.29 0.41 -1.51 0.00 0.00 179.97 179.48 1ug7 n GLY 26 N 0.65 -0.89 0.08 2.80 0.00 0.44 0.19 105.19 108.46 1ug7 n GLY 26 Ca -0.07 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 1ug7 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug7 h ALA 27 N 0.88 0.08 -1.00 4.61 0.00 -1.09 -3.26 119.26 119.50 1ug7 h ALA 27 Ca 0.84 -0.72 0.37 0.00 0.00 0.00 0.00 54.91 55.40 1ug7 h ALA 27 Cb 3.40 0.24 -0.18 0.00 0.00 0.00 0.00 17.79 21.25 1ug7 h ALA 27 CO -0.01 0.23 0.38 0.38 0.00 0.00 0.00 179.25 180.23 1ug7 h ASP 28 N -1.00 0.07 0.38 0.00 3.04 0.24 0.65 116.42 119.80 1ug7 h ASP 28 Ca -0.11 0.26 -0.02 0.00 -3.24 0.00 0.00 57.03 53.92 1ug7 h ASP 28 Cb 1.08 0.34 0.00 0.00 -1.04 0.00 0.00 39.33 39.71 1ug7 h ASP 28 CO -0.07 -0.40 -0.18 -0.26 -2.04 0.00 0.00 179.24 176.29 1ug7 h PHE 29 N 0.01 -0.48 -0.17 4.15 0.04 -1.43 -2.32 116.94 116.75 1ug7 h PHE 29 Ca 0.77 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.55 1ug7 h PHE 29 Cb 1.91 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 40.18 1ug7 h PHE 29 CO -0.17 -0.22 -0.28 -0.44 -0.60 0.00 0.00 178.31 176.60 1ug7 h ASP 30 N -0.64 -0.91 -0.56 2.17 3.32 0.23 1.05 116.42 121.07 1ug7 h ASP 30 Ca -0.05 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1ug7 h ASP 30 Cb 0.47 0.37 -0.07 0.00 0.22 0.00 0.00 39.33 40.32 1ug7 h ASP 30 CO 0.09 -0.21 -0.34 0.28 -1.72 0.00 0.00 179.24 177.34 1ug7 h SER 31 N -0.22 -1.23 0.00 6.45 0.02 -1.29 -2.46 113.55 114.82 1ug7 h SER 31 Ca 0.03 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ug7 h SER 31 Cb 0.31 0.54 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1ug7 h SER 31 CO -0.28 -0.13 0.00 0.79 -1.14 0.00 0.00 176.83 176.07 1ug7 n TRP 32 N -4.28 0.00 0.00 3.45 8.01 -0.86 -4.90 117.44 118.85 1ug7 n TRP 32 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1ug7 n TRP 32 Cb 0.15 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.18 1ug7 n TRP 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ug7 n GLY 33 N -0.87 0.00 2.78 6.99 0.00 0.32 -5.08 105.19 109.33 1ug7 n GLY 33 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ug7 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ug7 n GLN 34 N 0.00 3.33 0.05 1.61 1.13 0.11 -4.88 117.38 118.73 1ug7 n GLN 34 Ca 0.00 -4.79 -0.11 0.00 -1.94 0.00 0.00 57.00 50.16 1ug7 n GLN 34 Cb 0.00 -2.28 -0.04 0.00 0.11 0.00 0.00 30.24 28.03 1ug7 n GLN 34 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ug7 h LEU 35 N 3.51 -0.72 -0.03 1.08 3.38 -1.88 0.59 115.31 121.24 1ug7 h LEU 35 Ca 0.19 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ug7 h LEU 35 Cb 0.53 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ug7 h LEU 35 CO 0.88 -0.31 -0.03 0.58 0.09 0.00 0.00 178.44 179.66 1ug7 h VAL 36 N -0.37 0.00 -0.81 1.22 2.07 -1.98 0.69 116.25 117.07 1ug7 h VAL 36 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1ug7 h VAL 36 Cb 0.46 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.12 1ug7 h VAL 36 CO -0.23 0.00 0.33 -0.33 0.02 0.00 0.00 177.57 177.35 1ug7 h GLU 37 N -0.02 0.41 0.12 1.57 5.08 -1.93 -1.73 114.58 118.08 1ug7 h GLU 37 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ug7 h GLU 37 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ug7 h GLU 37 CO -0.03 0.27 -0.30 0.00 -1.00 0.00 0.00 179.01 177.94 1ug7 h ALA 38 N 1.62 -0.85 -0.91 3.43 0.00 0.21 -0.43 119.26 122.33 1ug7 h ALA 38 Ca 0.47 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1ug7 h ALA 38 Cb 0.80 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 1ug7 h ALA 38 CO -0.46 -0.91 -0.58 0.82 0.00 0.00 0.00 179.25 178.12 1ug7 h ILE 39 N -0.47 0.00 -0.69 0.00 2.04 0.11 0.16 117.51 118.67 1ug7 h ILE 39 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1ug7 h ILE 39 Cb 0.45 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 1ug7 h ILE 39 CO -0.14 0.00 -0.50 -0.78 0.00 0.00 0.00 178.15 176.73 1ug7 h ASP 40 N -0.06 -1.80 -0.44 1.72 3.58 -0.95 0.71 116.42 119.18 1ug7 h ASP 40 Ca 0.15 0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.92 1ug7 h ASP 40 Cb 0.44 0.78 -0.08 0.00 1.72 0.00 0.00 39.33 42.19 1ug7 h ASP 40 CO -0.89 -0.25 -0.54 -0.08 -2.88 0.00 0.00 179.24 174.59 1ug7 h GLU 41 N -0.12 -0.34 0.09 0.28 4.57 0.93 0.67 114.58 120.66 1ug7 h GLU 41 Ca 0.11 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1ug7 h GLU 41 Cb 0.42 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1ug7 h GLU 41 CO -0.71 -0.22 -0.49 1.88 -1.18 0.00 0.00 179.01 178.29 1ug7 h TYR 42 N -0.35 -1.41 -0.08 0.92 0.05 0.78 0.20 116.97 117.08 1ug7 h TYR 42 Ca 0.08 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.91 1ug7 h TYR 42 Cb 0.56 0.60 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 1ug7 h TYR 42 CO -0.75 -0.54 -0.30 1.96 -1.05 0.00 0.00 178.16 177.47 1ug7 h GLN 43 N -0.68 -0.31 -0.85 4.88 4.20 0.98 1.45 115.11 124.78 1ug7 h GLN 43 Ca -0.00 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.86 1ug7 h GLN 43 Cb 0.69 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.40 1ug7 h GLN 43 CO -0.27 -0.21 -0.40 0.82 -0.67 0.00 0.00 178.83 178.10 1ug7 h ILE 44 N -0.32 0.05 -0.85 2.54 5.03 0.51 1.53 117.51 126.00 1ug7 h ILE 44 Ca 0.02 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.79 1ug7 h ILE 44 Cb 0.38 0.05 -0.05 0.00 -3.03 0.00 0.00 36.82 34.17 1ug7 h ILE 44 CO -0.25 0.00 0.55 0.25 -0.68 0.00 0.00 178.15 178.02 1ug7 h LEU 45 N -0.07 0.91 0.21 1.44 5.85 0.36 -1.02 115.31 122.99 1ug7 h LEU 45 Ca 0.29 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1ug7 h LEU 45 Cb 0.57 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ug7 h LEU 45 CO -0.87 0.62 -0.10 0.00 -0.34 0.00 0.00 178.44 177.75 1ug7 h ALA 46 N 1.36 -0.28 -0.76 1.25 0.00 1.06 0.02 119.26 121.91 1ug7 h ALA 46 Ca 0.34 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.33 1ug7 h ALA 46 Cb 0.02 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1ug7 h ALA 46 CO -0.12 -0.65 0.27 0.00 0.00 0.00 0.00 179.25 178.76 1ug7 h ARG 47 N -0.31 0.38 -0.21 0.00 3.08 0.22 0.27 114.38 117.81 1ug7 h ARG 47 Ca -0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ug7 h ARG 47 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1ug7 h ARG 47 CO 0.05 0.25 0.11 0.45 -1.07 0.00 0.00 179.97 179.76 1ug7 h HIS 48 N 0.39 0.29 -1.00 3.04 3.86 -0.77 0.32 115.15 121.29 1ug7 h HIS 48 Ca 0.42 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.88 1ug7 h HIS 48 Cb 0.68 -0.09 -0.13 0.00 1.06 0.00 0.00 27.41 28.93 1ug7 h HIS 48 CO -0.19 0.27 0.58 -0.07 0.86 0.00 0.00 177.93 179.38 1ug7 h LEU 49 N 0.23 0.64 0.06 2.43 3.38 0.10 0.15 115.31 122.30 1ug7 h LEU 49 Ca 0.07 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ug7 h LEU 49 Cb 0.08 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ug7 h LEU 49 CO -0.01 0.07 -0.03 1.56 0.09 0.00 0.00 178.44 180.12 1ug7 h GLN 50 N 0.54 -0.08 -1.54 1.13 1.08 -0.61 0.10 115.11 115.74 1ug7 h GLN 50 Ca 0.65 0.01 0.45 0.00 -1.45 0.00 0.00 58.65 58.30 1ug7 h GLN 50 Cb 1.27 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.65 1ug7 h GLN 50 CO -0.49 0.47 1.19 -0.22 -0.95 0.00 0.00 178.83 178.83 1ug7 h LYS 51 N -0.70 0.00 0.03 1.46 1.63 0.99 1.77 116.57 121.75 1ug7 h LYS 51 Ca -0.01 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.44 1ug7 h LYS 51 Cb 0.59 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 1ug7 h LYS 51 CO 0.01 0.00 -2.12 0.39 -3.45 0.00 0.00 179.45 174.28 1ug7 n GLU 52 N -3.88 0.68 0.13 1.90 -0.58 -0.55 -2.54 120.64 115.80 1ug7 n GLU 52 Ca 0.34 0.18 -0.06 0.00 -0.42 0.00 0.00 57.16 57.20 1ug7 n GLU 52 Cb 1.67 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 30.87 1ug7 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug7 h ALA 53 N 0.58 -0.57 -0.30 0.62 0.00 0.48 -3.31 119.26 116.76 1ug7 h ALA 53 Ca -0.45 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1ug7 h ALA 53 Cb 2.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 1ug7 h ALA 53 CO 0.03 -0.54 -0.19 -0.56 0.00 0.00 0.00 179.25 177.99 1ug7 h GLN 54 N -0.68 0.54 -3.07 0.00 3.07 0.95 -3.45 115.11 112.48 1ug7 h GLN 54 Ca -0.04 -0.19 0.34 0.00 0.09 0.00 0.00 58.65 58.86 1ug7 h GLN 54 Cb 0.29 -0.04 -0.12 0.00 0.08 0.00 0.00 27.48 27.69 1ug7 h GLN 54 CO 0.06 0.71 -0.69 0.00 0.09 0.00 0.00 178.83 179.00 1ug7 n ALA 55 N -2.49 -3.63 -0.12 0.06 0.00 -1.05 -4.39 120.51 108.89 1ug7 n ALA 55 Ca 0.00 0.55 -0.26 0.00 0.00 0.00 0.00 53.44 53.73 1ug7 n ALA 55 Cb 0.38 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1ug7 n ALA 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug7 n GLN 56 N -4.01 0.59 -2.43 0.00 6.02 -1.26 -4.58 117.38 111.70 1ug7 n GLN 56 Ca -0.02 0.38 -0.27 0.00 -0.01 0.00 0.00 57.00 57.09 1ug7 n GLN 56 Cb 0.66 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ug7 n HIS 57 N -4.26 3.35 -3.04 1.08 8.25 -1.26 -4.89 115.22 114.45 1ug7 n HIS 57 Ca -0.45 -3.03 -0.12 0.00 -0.26 0.00 0.00 57.72 53.86 1ug7 n HIS 57 Cb 0.82 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.80 1ug7 n HIS 57 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ug7 n ASN 58 N -0.50 -1.44 0.00 0.41 6.94 -1.26 -4.80 115.26 114.61 1ug7 n ASN 58 Ca 0.39 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 1ug7 n ASN 58 Cb 0.69 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ug7 n ASN 59 N -1.78 0.00 -1.95 0.53 3.02 -1.26 -5.08 115.26 108.74 1ug7 n ASN 59 Ca 0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1ug7 n ASN 59 Cb 0.49 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1ug7 n ASN 59 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ug7 n SER 60 N -0.77 -7.63 0.22 6.41 7.64 -1.26 -4.72 113.62 113.51 1ug7 n SER 60 Ca 0.00 1.33 0.14 0.00 1.01 0.00 0.00 58.87 61.35 1ug7 n SER 60 Cb 0.00 -4.16 0.76 0.00 -1.01 0.00 0.00 64.21 59.80 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ug7 h GLU 61 N 3.22 0.00 -6.21 1.43 5.08 -1.98 -3.41 114.58 112.71 1ug7 h GLU 61 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1ug7 h GLU 61 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ug7 h GLU 61 CO 0.00 0.00 -0.46 -0.06 -1.00 0.00 0.00 179.01 177.49 1ug7 s PHE 62 N -3.72 3.16 0.00 4.33 0.40 -1.26 -5.01 117.98 115.87 1ug7 s PHE 62 Ca -0.03 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1ug7 s PHE 62 Cb 0.08 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1ug7 s PHE 62 CO 0.25 0.35 0.00 -2.37 0.70 0.00 0.00 175.22 174.16 1ug7 n THR 63 N -1.35 0.00 0.06 0.64 5.66 -1.26 -4.71 114.28 113.32 1ug7 n THR 63 Ca -0.06 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 1ug7 n THR 63 Cb 0.58 -0.52 -0.15 0.00 -1.55 0.00 0.00 70.33 68.70 1ug7 n THR 63 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1ug7 h GLU 64 N 0.00 0.32 0.00 1.09 5.08 -1.96 -2.91 114.58 116.19 1ug7 h GLU 64 Ca 0.00 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 1ug7 h GLU 64 Cb 0.00 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ug7 h GLU 64 CO 0.00 1.21 -0.21 1.05 -1.00 0.00 0.00 179.01 180.05 1ug7 h GLU 65 N 0.09 0.00 0.00 2.33 4.11 -1.98 -2.38 114.58 116.75 1ug7 h GLU 65 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.11 1ug7 h GLU 65 Cb 2.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1ug7 h GLU 65 CO 0.16 0.21 -0.00 1.96 0.07 0.00 0.00 179.01 181.41 1ug7 h GLN 66 N 0.00 -0.00 -1.00 1.06 4.20 -1.86 -3.33 115.11 114.19 1ug7 h GLN 66 Ca -0.00 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.08 1ug7 h GLN 66 Cb 0.58 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.18 1ug7 h GLN 66 CO 0.03 -0.00 0.38 0.36 -0.67 0.00 0.00 178.83 178.93 1ug7 n LYS 67 N -2.41 -0.07 -0.17 1.46 2.85 -1.10 -0.02 118.16 118.70 1ug7 n LYS 67 Ca -0.00 1.41 -0.07 0.00 -1.05 0.00 0.00 58.31 58.60 1ug7 n LYS 67 Cb 0.00 -2.44 -0.06 0.00 -0.65 0.00 0.00 35.03 31.88 1ug7 n LYS 67 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ug7 h LYS 68 N 0.00 -0.10 -0.22 -1.58 1.79 -1.55 1.43 116.57 116.33 1ug7 h LYS 68 Ca 0.77 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 59.29 1ug7 h LYS 68 Cb 1.94 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 32.58 1ug7 h LYS 68 CO -0.82 -0.07 -0.04 1.15 -1.08 0.00 0.00 179.45 178.60 1ug7 h THR 69 N -0.11 0.80 -0.42 -0.16 2.02 -0.54 -0.51 112.91 113.99 1ug7 h THR 69 Ca 0.07 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1ug7 h THR 69 Cb 0.29 0.78 -0.09 0.00 -1.74 0.00 0.00 68.15 67.38 1ug7 h THR 69 CO -0.46 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 175.62 1ug7 h ILE 70 N 0.02 0.38 0.00 3.11 2.04 -0.27 1.89 117.51 124.68 1ug7 h ILE 70 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1ug7 h ILE 70 Cb 0.15 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1ug7 h ILE 70 CO -0.21 0.00 0.00 1.23 0.00 0.00 0.00 178.15 179.17 1ug7 h GLY 71 N -0.14 0.00 0.00 5.37 0.00 0.25 -2.87 103.07 105.68 1ug7 h GLY 71 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1ug7 h GLY 71 CO -0.51 0.00 -0.90 0.28 0.00 0.00 0.00 176.54 175.42 1ug7 n LYS 72 N -2.57 0.50 -0.29 4.80 5.02 0.32 -2.07 118.16 123.88 1ug7 n LYS 72 Ca -0.01 0.53 0.22 0.00 -2.02 0.00 0.00 58.31 57.04 1ug7 n LYS 72 Cb 0.13 -1.70 0.42 0.00 -0.02 0.00 0.00 35.03 33.86 1ug7 n LYS 72 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ug7 n ILE 73 N -4.53 -0.37 0.13 -0.18 5.41 0.56 0.18 119.36 120.57 1ug7 n ILE 73 Ca -0.19 1.84 -0.14 0.00 1.00 0.00 0.00 62.75 65.26 1ug7 n ILE 73 Cb 0.46 -2.86 -0.06 0.00 -0.71 0.00 0.00 39.64 36.46 1ug7 n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ug7 h ALA 74 N 1.75 -0.62 -0.88 -1.39 0.00 -1.68 -2.33 119.26 114.11 1ug7 h ALA 74 Ca 0.66 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.60 1ug7 h ALA 74 Cb 1.64 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 19.87 1ug7 h ALA 74 CO -0.73 -0.90 -0.48 2.41 0.00 0.00 0.00 179.25 179.54 1ug7 n THR 75 N -5.44 -0.57 -0.15 0.00 -1.04 0.47 0.12 114.28 107.67 1ug7 n THR 75 Ca -0.07 2.12 -0.05 0.00 -2.04 0.00 0.00 64.05 64.00 1ug7 n THR 75 Cb 0.35 -2.66 0.01 0.00 -1.82 0.00 0.00 70.33 66.20 1ug7 n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 h LEU 77 N -0.17 -1.67 -1.63 0.00 3.38 0.14 0.93 115.31 116.28 1ug7 h LEU 77 Ca 0.21 0.23 0.38 0.00 0.09 0.00 0.00 57.88 58.79 1ug7 h LEU 77 Cb 0.52 0.69 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1ug7 h LEU 77 CO -0.59 -0.41 1.15 -0.33 0.09 0.00 0.00 178.44 178.36 1ug7 h GLU 78 N -0.41 0.00 0.00 1.13 5.08 0.84 0.96 114.58 122.18 1ug7 h GLU 78 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1ug7 h GLU 78 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ug7 h GLU 78 CO -0.56 0.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.25 1ug7 h LEU 79 N 0.00 0.00 0.18 1.33 3.38 0.13 -2.99 115.31 117.35 1ug7 h LEU 79 Ca 0.63 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ug7 h LEU 79 Cb 2.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.66 1ug7 h LEU 79 CO -0.01 1.02 -0.24 -0.09 0.09 0.00 0.00 178.44 179.21 1ug7 h ARG 80 N -1.00 -0.42 -0.70 1.13 9.65 0.28 1.29 114.38 124.61 1ug7 h ARG 80 Ca -0.04 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.00 1ug7 h ARG 80 Cb 0.96 0.10 -0.13 0.00 -1.39 0.00 0.00 29.97 29.51 1ug7 h ARG 80 CO -0.02 -0.28 -0.28 0.77 2.80 0.00 0.00 179.97 182.96 1ug7 h SER 81 N -0.44 -1.00 -0.08 -3.80 0.02 -1.10 0.22 113.55 107.38 1ug7 h SER 81 Ca -0.02 0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1ug7 h SER 81 Cb 0.39 0.55 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1ug7 h SER 81 CO -0.06 -0.28 -0.03 0.00 -1.14 0.00 0.00 176.83 175.31 1ug7 h ALA 82 N 1.35 0.04 -1.00 3.77 0.00 -1.32 -1.08 119.26 121.03 1ug7 h ALA 82 Ca 0.30 0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.58 1ug7 h ALA 82 Cb 0.56 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.28 1ug7 h ALA 82 CO -0.75 -0.50 0.54 0.00 0.00 0.00 0.00 179.25 178.53 1ug7 h ALA 83 N 1.05 1.96 0.25 0.00 0.00 0.49 1.58 119.26 124.59 1ug7 h ALA 83 Ca 0.04 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ug7 h ALA 83 Cb 0.09 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ug7 h ALA 83 CO -0.10 -0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 178.31 1ug7 h LEU 84 N 0.24 -0.28 -0.08 0.00 3.38 0.05 -3.24 115.31 115.38 1ug7 h LEU 84 Ca 0.75 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.53 1ug7 h LEU 84 Cb 1.78 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 1ug7 h LEU 84 CO -0.65 0.10 -0.07 1.56 0.09 0.00 0.00 178.44 179.47 1ug7 h GLN 85 N -0.70 -0.08 -6.17 1.13 4.20 0.80 -3.43 115.11 110.86 1ug7 h GLN 85 Ca -0.03 0.01 -0.68 0.00 0.06 0.00 0.00 58.65 58.00 1ug7 h GLN 85 Cb 0.48 0.02 0.09 0.00 0.30 0.00 0.00 27.48 28.37 1ug7 h GLN 85 CO 0.06 -0.05 -0.05 -1.13 -0.67 0.00 0.00 178.83 176.99 1ug7 n SER 86 N -5.20 0.23 -0.02 1.46 3.41 0.49 -4.90 113.62 109.10 1ug7 n SER 86 Ca -0.05 1.15 -0.06 0.00 -0.26 0.00 0.00 58.87 59.65 1ug7 n SER 86 Cb 0.12 -1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 62.98 1ug7 n SER 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ug7 n THR 87 N 0.87 1.11 -2.48 6.66 -1.04 -1.26 -4.81 114.28 113.33 1ug7 n THR 87 Ca 0.16 0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.92 1ug7 n THR 87 Cb 0.22 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 1ug7 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n GLN 88 N -3.74 3.38 -3.69 -2.82 3.00 -1.26 -4.85 117.38 107.39 1ug7 n GLN 88 Ca -0.10 -3.47 0.04 0.00 -0.01 0.00 0.00 57.00 53.47 1ug7 n GLN 88 Cb 0.32 -3.09 0.00 0.00 0.00 0.00 0.00 30.24 27.48 1ug7 n GLN 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ug7 s SER 89 N 2.25 -0.00 0.00 1.08 1.04 -1.26 -5.09 113.70 111.71 1ug7 s SER 89 Ca 0.44 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1ug7 s SER 89 Cb 0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1ug7 s SER 89 CO -0.00 -0.02 0.00 1.67 0.98 0.00 0.00 173.24 175.87 1ug7 n GLN 90 N -0.64 0.00 -0.74 4.02 7.27 -1.26 -5.01 117.38 121.02 1ug7 n GLN 90 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.00 1ug7 n GLN 90 Cb 0.62 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.25 1ug7 n GLN 90 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1ug7 n GLU 91 N 0.00 0.00 0.00 3.69 2.13 -1.26 -5.12 120.64 120.08 1ug7 n GLU 91 Ca 0.00 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.20 1ug7 n GLU 91 Cb 0.00 0.09 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ug7 n GLU 92 N 0.04 3.56 -2.86 5.31 4.71 -1.26 -5.06 120.64 125.08 1ug7 n GLU 92 Ca -0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.71 1ug7 n GLU 92 Cb 0.65 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 31.01 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1ug7 s PHE 93 N 2.22 3.62 0.00 -0.32 5.36 -1.26 -5.07 117.98 122.52 1ug7 s PHE 93 Ca 0.00 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 1ug7 s PHE 93 Cb 0.00 -2.84 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 1ug7 s PHE 93 CO 0.00 0.19 0.00 0.36 -1.46 0.00 0.00 175.22 174.31 1ug7 n LYS 94 N 0.40 1.38 -0.01 10.12 2.85 -1.26 -4.73 118.16 126.90 1ug7 n LYS 94 Ca 0.02 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.22 1ug7 n LYS 94 Cb 0.51 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.84 1ug7 n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1ug7 h LEU 95 N 0.00 -0.08 -0.76 -5.58 3.38 -1.98 -2.77 115.31 107.53 1ug7 h LEU 95 Ca 0.00 -0.31 0.17 0.00 0.09 0.00 0.00 57.88 57.84 1ug7 h LEU 95 Cb 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.65 1ug7 h LEU 95 CO 0.00 0.55 0.13 1.05 0.09 0.00 0.00 178.44 180.26 1ug7 h GLU 96 N -0.99 0.20 0.00 1.13 4.11 -1.97 1.77 114.58 118.83 1ug7 h GLU 96 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 1ug7 h GLU 96 Cb 0.38 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ug7 h GLU 96 CO 0.02 0.13 -0.15 -0.44 0.07 0.00 0.00 179.01 178.64 1ug7 h ASP 97 N 0.21 0.00 0.00 3.06 5.19 -1.97 0.55 116.42 123.46 1ug7 h ASP 97 Ca 0.43 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.81 1ug7 h ASP 97 Cb 0.77 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1ug7 h ASP 97 CO -0.58 0.15 -0.17 0.25 -3.12 0.00 0.00 179.24 175.77 1ug7 h LEU 98 N 0.00 0.01 -0.92 1.55 5.85 0.22 -3.23 115.31 118.79 1ug7 h LEU 98 Ca -0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 1ug7 h LEU 98 Cb 0.33 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1ug7 h LEU 98 CO 0.02 1.07 0.00 1.17 -0.34 0.00 0.00 178.44 180.36 1ug7 n LYS 99 N -4.58 0.11 0.00 1.25 3.00 0.49 -0.70 118.16 117.74 1ug7 n LYS 99 Ca -0.13 0.54 0.06 0.00 -0.00 0.00 0.00 58.31 58.78 1ug7 n LYS 99 Cb 0.51 -1.82 0.25 0.00 0.00 0.00 0.00 35.03 33.97 1ug7 n LYS 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ug7 n LYS 100 N -2.06 0.02 -0.01 1.64 4.76 0.16 -0.92 118.16 121.75 1ug7 n LYS 100 Ca -0.00 0.29 0.11 0.00 -2.87 0.00 0.00 58.31 55.84 1ug7 n LYS 100 Cb 0.07 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.60 1ug7 n LYS 100 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ug7 n LEU 101 N -1.47 0.09 -0.19 -0.35 4.77 0.12 -4.04 117.00 115.93 1ug7 n LEU 101 Ca 0.03 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1ug7 n LEU 101 Cb 0.13 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1ug7 n LEU 101 CO 0.10 0.01 0.71 -0.08 -1.33 0.00 0.00 177.39 176.80 1ug7 h GLU 102 N 0.00 -0.06 -0.00 3.23 4.22 -1.13 0.36 114.58 121.19 1ug7 h GLU 102 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1ug7 h GLU 102 Cb 0.97 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ug7 h GLU 102 CO 0.00 -0.04 -0.07 -1.00 -2.18 0.00 0.00 179.01 175.72 1ug7 h PRO 103 N -0.07 0.05 -0.65 0.92 0.13 -1.77 -3.28 132.00 127.34 1ug7 h PRO 103 Ca 0.27 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.41 1ug7 h PRO 103 Cb 0.48 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.55 1ug7 h PRO 103 CO -0.63 0.79 -0.39 0.82 -0.23 0.00 0.00 178.00 178.37 1ug7 h ILE 104 N -0.67 0.00 -0.98 -3.56 2.04 -1.58 1.53 117.51 114.29 1ug7 h ILE 104 Ca -0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 1ug7 h ILE 104 Cb 0.81 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.71 1ug7 h ILE 104 CO 0.01 0.00 -0.26 0.18 0.00 0.00 0.00 178.15 178.08 1ug7 n LEU 105 N -4.48 -0.39 -0.06 1.44 4.77 0.07 0.13 117.00 118.48 1ug7 n LEU 105 Ca 0.01 1.70 -0.11 0.00 -0.03 0.00 0.00 56.01 57.58 1ug7 n LEU 105 Cb 0.17 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1ug7 n LEU 105 CO -0.10 -1.61 0.79 0.11 -1.33 0.00 0.00 177.39 175.25 1ug7 h LYS 106 N 0.00 0.32 -1.65 3.23 1.57 0.23 -2.60 116.57 117.66 1ug7 h LYS 106 Ca 0.46 -0.08 -0.26 0.00 -1.87 0.00 0.00 60.65 58.89 1ug7 h LYS 106 Cb 0.70 -0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.87 1ug7 h LYS 106 CO -1.01 0.47 0.31 0.09 -0.57 0.00 0.00 179.45 178.75 1ug7 n ASN 107 N -4.76 6.21 -0.02 0.86 3.02 0.46 -4.27 115.26 116.76 1ug7 n ASN 107 Ca -0.04 -2.92 -0.16 0.00 -0.03 0.00 0.00 54.58 51.43 1ug7 n ASN 107 Cb 0.19 -1.09 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 1ug7 n ASN 107 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ug7 h ILE 108 N 1.05 1.43 -0.73 2.41 1.08 0.46 -2.70 117.51 120.51 1ug7 h ILE 108 Ca 0.23 -1.82 -0.06 0.00 -0.39 0.00 0.00 64.86 62.82 1ug7 h ILE 108 Cb 0.93 2.39 -0.03 0.00 -3.07 0.00 0.00 36.82 37.04 1ug7 h ILE 108 CO 0.59 0.53 0.20 -0.07 -0.69 0.00 0.00 178.15 178.71 1ug7 h LEU 109 N -0.13 1.08 -4.72 1.44 3.38 -1.83 -2.78 115.31 111.75 1ug7 h LEU 109 Ca -0.03 -0.22 -0.72 0.00 0.09 0.00 0.00 57.88 57.00 1ug7 h LEU 109 Cb 1.06 -0.28 -0.26 0.00 0.09 0.00 0.00 40.66 41.26 1ug7 h LEU 109 CO 0.08 1.02 0.96 1.07 0.09 0.00 0.00 178.44 181.65 1ug7 n THR 110 N -4.24 3.57 -3.76 0.22 5.66 -1.21 -4.89 114.28 109.62 1ug7 n THR 110 Ca 0.06 -3.85 -0.37 0.00 -3.05 0.00 0.00 64.05 56.83 1ug7 n THR 110 Cb 0.25 -1.26 -0.12 0.00 -1.55 0.00 0.00 70.33 67.65 1ug7 n THR 110 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1ug7 s TYR 111 N -3.77 3.33 -0.36 1.09 5.04 -1.02 -4.94 117.35 116.72 1ug7 s TYR 111 Ca 0.55 -1.71 -0.04 0.00 -2.44 0.00 0.00 57.07 53.43 1ug7 s TYR 111 Cb 0.44 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 40.22 1ug7 s TYR 111 CO -0.31 -0.81 2.84 -1.71 -1.34 0.00 0.00 175.55 174.22 1ug7 n ASN 112 N 4.76 6.25 -0.17 4.32 5.15 -1.26 -4.97 115.26 129.33 1ug7 n ASN 112 Ca -0.10 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1ug7 n ASN 112 Cb 0.43 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ug7 n LYS 113 N 1.11 0.00 -1.51 1.20 4.01 -1.26 -4.93 118.16 116.78 1ug7 n LYS 113 Ca 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 1ug7 n LYS 113 Cb 0.62 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.14 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1ug7 n GLU 114 N -0.34 0.00 -1.64 1.97 2.13 -1.26 -5.00 120.64 116.50 1ug7 n GLU 114 Ca 0.00 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.38 1ug7 n GLU 114 Cb 0.00 -1.84 -0.01 0.00 0.27 0.00 0.00 31.44 29.86 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ug7 n PHE 115 N -0.84 1.76 1.50 4.31 -0.00 -1.26 -4.83 117.46 118.11 1ug7 n PHE 115 Ca 0.00 0.63 0.09 0.00 -0.00 0.00 0.00 57.45 58.17 1ug7 n PHE 115 Cb 0.39 -2.33 0.53 0.00 -0.00 0.00 0.00 39.48 38.07 1ug7 n PHE 115 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1ug7 n PRO 116 N 0.66 0.75 -4.23 -7.13 -0.04 -1.26 -4.76 135.00 118.99 1ug7 n PRO 116 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1ug7 n PRO 116 Cb 0.34 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1ug7 n PRO 116 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ug7 s PHE 117 N -2.00 1.19 -0.95 0.54 0.08 -1.26 -5.09 117.98 110.48 1ug7 s PHE 117 Ca 0.27 -1.08 -0.13 0.00 0.12 0.00 0.00 56.93 56.12 1ug7 s PHE 117 Cb 0.12 -0.68 0.23 0.00 -0.57 0.00 0.00 43.02 42.13 1ug7 s PHE 117 CO 0.21 -0.28 0.94 -0.51 -0.10 0.00 0.00 175.22 175.48 1ug7 s ASP 118 N -3.17 6.95 -0.07 1.36 1.01 -1.26 -4.97 116.67 116.52 1ug7 s ASP 118 Ca 0.26 -2.94 -0.01 0.00 0.71 0.00 0.00 52.55 50.56 1ug7 s ASP 118 Cb 0.06 -2.24 0.03 0.00 1.01 0.00 0.00 42.92 41.79 1ug7 s ASP 118 CO 0.05 -0.53 0.01 0.68 0.21 0.00 0.00 175.17 175.58 1ug7 s VAL 119 N 0.01 0.34 0.50 -1.27 -7.23 -1.26 -5.06 120.40 106.43 1ug7 s VAL 119 Ca 0.25 0.14 -0.19 0.00 -1.81 0.00 0.00 61.98 60.37 1ug7 s VAL 119 Cb -0.09 -0.50 -0.08 0.00 0.56 0.00 0.00 36.38 36.27 1ug7 s VAL 119 CO -0.08 0.25 1.02 -1.10 -0.31 0.00 0.00 175.10 174.88 1ug7 s GLN 120 N 1.95 3.79 -0.23 4.82 -1.52 -1.26 -4.88 119.66 122.33 1ug7 s GLN 120 Ca 0.04 1.24 -0.29 0.00 -1.95 0.00 0.00 55.36 54.41 1ug7 s GLN 120 Cb -0.12 -2.10 -0.01 0.00 -0.22 0.00 0.00 33.01 30.56 1ug7 s GLN 120 CO -0.05 -0.42 1.31 -1.25 -0.25 0.00 0.00 175.29 174.63 1ug7 s PRO 121 N -3.49 4.06 -0.03 2.91 0.04 -1.26 -4.56 135.00 132.67 1ug7 s PRO 121 Ca 0.65 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 1ug7 s PRO 121 Cb -0.14 -3.84 -0.06 0.00 0.04 0.00 0.00 34.50 30.49 1ug7 s PRO 121 CO 0.23 -0.94 1.69 0.42 0.04 0.00 0.00 177.00 178.45 1ug7 s ILE 122 N 4.03 3.46 0.46 0.56 1.01 -0.88 -4.69 121.20 125.15 1ug7 s ILE 122 Ca 0.57 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1ug7 s ILE 122 Cb -0.20 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1ug7 s ILE 122 CO 0.20 -0.05 0.00 -1.20 0.00 0.00 0.00 174.94 173.89 1ug7 n SER 123 N 7.00 -6.47 0.00 3.58 7.64 -1.26 -4.32 113.62 119.79 1ug7 n SER 123 Ca 0.17 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1ug7 n SER 123 Cb 0.42 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1ug7 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug7 n GLY 124 N -3.89 3.45 3.66 0.23 0.00 -1.26 -4.82 105.19 102.55 1ug7 n GLY 124 Ca -0.06 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1ug7 n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug7 s PRO 125 N -4.53 4.23 0.26 1.61 0.04 -1.26 -5.02 135.00 130.34 1ug7 s PRO 125 Ca 0.00 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.81 1ug7 s PRO 125 Cb 0.00 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1ug7 s PRO 125 CO 0.00 -0.70 0.01 -1.54 0.04 0.00 0.00 177.00 174.81 1ug7 s SER 126 N 2.00 4.63 -0.03 6.66 1.04 -1.26 -4.94 113.70 121.80 1ug7 s SER 126 Ca 0.55 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 1ug7 s SER 126 Cb -0.22 -0.89 0.01 0.00 0.10 0.00 0.00 66.02 65.02 1ug7 s SER 126 CO 0.15 -0.00 0.05 -1.20 0.98 0.00 0.00 173.24 173.23 1ug7 n SER 127 N -0.91 -6.85 0.00 7.02 7.64 -1.26 -5.32 113.62 113.93 1ug7 n SER 127 Ca -0.07 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.38 1ug7 n SER 127 Cb 0.59 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1ug7 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64