#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug7 s SER 2 N 0.00 -0.52 -0.41 1.61 0.15 -1.26 -5.13 113.70 108.14 1ug7 s SER 2 Ca 0.00 0.10 -0.17 0.00 0.70 0.00 0.00 55.95 56.58 1ug7 s SER 2 Cb 0.00 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1ug7 s SER 2 CO 0.00 -0.82 0.42 -0.55 1.20 0.00 0.00 173.24 173.49 1ug7 s SER 3 N -2.45 6.19 0.00 5.45 0.15 -1.26 -4.97 113.70 116.82 1ug7 s SER 3 Ca 0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1ug7 s SER 3 Cb -0.01 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1ug7 s SER 3 CO -0.09 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1ug7 n GLY 4 N 5.08 3.83 3.64 9.45 0.00 -1.26 -5.17 105.19 120.76 1ug7 n GLY 4 Ca -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.75 0.37 1.61 0.15 -1.26 -5.14 113.70 108.69 1ug7 s SER 5 Ca 0.00 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1ug7 s SER 5 Cb 0.00 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1ug7 s SER 5 CO 0.00 -0.19 0.00 -1.20 1.20 0.00 0.00 173.24 173.05 1ug7 n SER 6 N 4.03 -4.86 0.00 5.45 7.64 -1.26 -4.93 113.62 119.70 1ug7 n SER 6 Ca -0.19 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1ug7 n SER 6 Cb 0.58 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.89 1ug7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug7 n GLY 7 N -3.00 -0.82 3.77 0.23 0.00 -1.26 -4.83 105.19 99.27 1ug7 n GLY 7 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.32 0.00 1.61 1.75 -1.26 -4.86 119.30 120.86 1ug7 s MET 8 Ca 0.00 2.27 0.00 0.00 -1.25 0.00 0.00 55.69 56.71 1ug7 s MET 8 Cb 0.00 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.60 1ug7 s MET 8 CO 0.00 -0.26 0.00 0.43 -0.65 0.00 0.00 175.02 174.54 1ug7 n SER 9 N 0.99 0.00 0.00 1.11 7.64 -1.26 -4.98 113.62 117.12 1ug7 n SER 9 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1ug7 n SER 9 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1ug7 n SER 9 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ug7 n GLU 10 N 0.00 1.71 -0.10 1.43 2.13 -1.26 -4.25 120.64 120.30 1ug7 n GLU 10 Ca 0.00 -0.27 -0.10 0.00 0.66 0.00 0.00 57.16 57.45 1ug7 n GLU 10 Cb 0.00 -0.74 -0.15 0.00 0.27 0.00 0.00 31.44 30.81 1ug7 n GLU 10 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ug7 n VAL 11 N -0.32 1.36 0.07 6.31 0.24 -1.26 -4.10 118.33 120.63 1ug7 n VAL 11 Ca 0.00 -0.81 -0.23 0.00 -2.04 0.00 0.00 64.34 61.26 1ug7 n VAL 11 Cb 0.02 -0.56 -0.15 0.00 -1.47 0.00 0.00 33.84 31.69 1ug7 n VAL 11 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1ug7 h THR 12 N 0.00 0.95 -0.23 3.34 2.02 -1.89 -3.05 112.91 114.05 1ug7 h THR 12 Ca -0.54 -2.50 0.06 0.00 0.77 0.00 0.00 66.41 64.21 1ug7 h THR 12 Cb 2.19 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 71.35 1ug7 h THR 12 CO 0.02 0.84 0.17 -0.09 0.37 0.00 0.00 175.52 176.83 1ug7 h ARG 13 N 0.05 0.03 0.00 6.66 2.43 -1.79 0.23 114.38 122.00 1ug7 h ARG 13 Ca -0.34 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.76 1ug7 h ARG 13 Cb 2.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 1ug7 h ARG 13 CO 0.17 0.02 -0.66 1.03 -1.51 0.00 0.00 179.97 179.02 1ug7 h SER 14 N 0.03 0.00 0.26 -3.80 0.87 -1.71 -2.66 113.55 106.55 1ug7 h SER 14 Ca 0.11 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1ug7 h SER 14 Cb 0.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1ug7 h SER 14 CO -0.01 0.31 -0.57 0.25 -0.53 0.00 0.00 176.83 176.29 1ug7 h LEU 15 N 0.00 0.35 0.11 2.23 6.46 -0.48 -1.12 115.31 122.86 1ug7 h LEU 15 Ca -0.04 -0.19 -0.19 0.00 -0.12 0.00 0.00 57.88 57.34 1ug7 h LEU 15 Cb 1.27 -0.10 0.02 0.00 -0.73 0.00 0.00 40.66 41.12 1ug7 h LEU 15 CO 0.03 0.85 -0.82 -0.07 -0.62 0.00 0.00 178.44 177.81 1ug7 h LEU 16 N 0.24 0.53 -1.75 2.25 3.38 -1.31 -1.45 115.31 117.21 1ug7 h LEU 16 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1ug7 h LEU 16 Cb 1.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1ug7 h LEU 16 CO 0.09 1.38 0.16 1.56 0.09 0.00 0.00 178.44 181.73 1ug7 h GLN 17 N -0.23 0.33 0.09 1.13 4.20 -1.44 0.24 115.11 119.43 1ug7 h GLN 17 Ca -0.13 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1ug7 h GLN 17 Cb 1.60 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 29.33 1ug7 h GLN 17 CO 0.16 0.22 -0.72 -0.09 -0.67 0.00 0.00 178.83 177.72 1ug7 h ARG 18 N 0.34 0.33 -0.18 1.46 1.12 -1.23 -1.44 114.38 114.77 1ug7 h ARG 18 Ca 0.09 -0.48 -0.01 0.00 -1.11 0.00 0.00 59.98 58.48 1ug7 h ARG 18 Cb -0.03 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.08 1ug7 h ARG 18 CO -0.02 1.19 0.09 -1.49 -3.11 0.00 0.00 179.97 176.63 1ug7 h TRP 19 N -0.30 0.24 0.00 2.20 6.55 -0.72 0.12 115.95 124.04 1ug7 h TRP 19 Ca -0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.72 1ug7 h TRP 19 Cb 1.52 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.74 1ug7 h TRP 19 CO 0.18 0.18 -0.29 0.78 -1.05 0.00 0.00 178.44 178.24 1ug7 h GLY 20 N 0.32 0.00 2.00 1.49 0.00 -0.54 -3.16 103.07 103.18 1ug7 h GLY 20 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1ug7 h GLY 20 CO -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.31 1ug7 h ALA 21 N 2.12 0.91 0.03 3.60 0.00 0.35 -2.74 119.26 123.54 1ug7 h ALA 21 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ug7 h ALA 21 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ug7 h ALA 21 CO 0.00 0.28 -0.01 0.77 0.00 0.00 0.00 179.25 180.28 1ug7 h SER 22 N 0.00 -0.04 -0.68 0.00 0.02 -1.37 -2.94 113.55 108.54 1ug7 h SER 22 Ca -0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1ug7 h SER 22 Cb 0.96 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.39 1ug7 h SER 22 CO 0.03 0.19 -0.44 0.25 -1.14 0.00 0.00 176.83 175.71 1ug7 h LEU 23 N -0.47 -1.56 -0.64 5.07 5.85 -1.66 1.20 115.31 123.09 1ug7 h LEU 23 Ca -0.00 0.26 0.13 0.00 0.84 0.00 0.00 57.88 59.11 1ug7 h LEU 23 Cb 0.03 0.72 -0.12 0.00 0.37 0.00 0.00 40.66 41.66 1ug7 h LEU 23 CO 0.01 -0.32 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.50 1ug7 h ARG 24 N -0.17 -0.04 0.16 1.25 9.65 -1.65 -0.57 114.38 123.02 1ug7 h ARG 24 Ca 0.20 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1ug7 h ARG 24 Cb 0.55 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1ug7 h ARG 24 CO -0.76 -0.02 -0.08 -0.09 2.80 0.00 0.00 179.97 181.82 1ug7 h ARG 25 N -0.04 -0.21 -0.92 0.20 2.43 -0.30 -2.03 114.38 113.51 1ug7 h ARG 25 Ca 0.30 0.01 0.27 0.00 -0.81 0.00 0.00 59.98 59.75 1ug7 h ARG 25 Cb 0.50 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1ug7 h ARG 25 CO -0.67 0.03 0.93 0.78 -1.51 0.00 0.00 179.97 179.52 1ug7 h GLY 26 N -0.43 0.00 1.03 2.80 0.00 0.26 1.50 103.07 108.24 1ug7 h GLY 26 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.97 1ug7 h GLY 26 CO 0.04 0.00 -1.68 0.00 0.00 0.00 0.00 176.54 174.90 1ug7 h ALA 27 N 1.01 0.18 -0.59 3.60 0.00 -0.65 -2.86 119.26 119.95 1ug7 h ALA 27 Ca 0.44 -1.12 0.05 0.00 0.00 0.00 0.00 54.91 54.28 1ug7 h ALA 27 Cb 2.29 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 20.42 1ug7 h ALA 27 CO -0.00 1.05 0.31 0.38 0.00 0.00 0.00 179.25 180.99 1ug7 h ASP 28 N 0.10 0.46 0.11 0.00 3.04 0.27 0.37 116.42 120.76 1ug7 h ASP 28 Ca -0.31 0.03 -0.01 0.00 -3.24 0.00 0.00 57.03 53.50 1ug7 h ASP 28 Cb 2.08 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.31 1ug7 h ASP 28 CO 0.18 0.31 -0.05 -0.26 -2.04 0.00 0.00 179.24 177.37 1ug7 h PHE 29 N 0.59 -0.13 0.17 4.15 0.04 -1.22 -1.77 116.94 118.77 1ug7 h PHE 29 Ca 0.26 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.04 1ug7 h PHE 29 Cb 0.16 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1ug7 h PHE 29 CO -0.09 0.20 -0.41 -0.44 -0.60 0.00 0.00 178.31 176.97 1ug7 h ASP 30 N -0.47 -1.19 -0.05 2.17 3.32 -1.23 1.47 116.42 120.43 1ug7 h ASP 30 Ca -0.01 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1ug7 h ASP 30 Cb 0.39 0.44 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1ug7 h ASP 30 CO 0.02 -0.50 -0.11 0.28 -1.72 0.00 0.00 179.24 177.22 1ug7 h SER 31 N -0.68 -0.36 0.00 6.45 0.02 -0.30 -2.95 113.55 115.74 1ug7 h SER 31 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ug7 h SER 31 Cb 0.68 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1ug7 h SER 31 CO -0.21 -0.09 0.00 0.79 -1.14 0.00 0.00 176.83 176.18 1ug7 n TRP 32 N -3.18 0.00 0.00 3.45 8.01 -0.67 -4.83 117.44 120.22 1ug7 n TRP 32 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1ug7 n TRP 32 Cb 0.07 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 28.98 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 -0.98 0.00 2.57 6.99 0.00 0.97 -5.09 105.19 109.66 1ug7 n GLY 33 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.47 0.21 1.61 1.13 0.46 -4.90 117.38 118.36 1ug7 n GLN 34 Ca 0.00 -4.63 -0.15 0.00 -1.94 0.00 0.00 57.00 50.28 1ug7 n GLN 34 Cb 0.00 -2.28 -0.08 0.00 0.11 0.00 0.00 30.24 27.99 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 4.55 -0.42 -0.19 1.08 3.38 -1.87 0.55 115.31 122.39 1ug7 h LEU 35 Ca 0.19 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1ug7 h LEU 35 Cb 0.68 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1ug7 h LEU 35 CO 0.83 -0.23 -0.54 0.58 0.09 0.00 0.00 178.44 179.17 1ug7 h VAL 36 N -0.59 0.00 -0.76 1.22 2.07 -1.97 0.51 116.25 116.73 1ug7 h VAL 36 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1ug7 h VAL 36 Cb 0.44 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1ug7 h VAL 36 CO 0.08 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 178.03 1ug7 h GLU 37 N -0.54 0.76 0.23 1.57 4.22 -1.95 -1.97 114.58 116.90 1ug7 h GLU 37 Ca 0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ug7 h GLU 37 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1ug7 h GLU 37 CO -0.46 0.50 -0.31 0.00 -2.18 0.00 0.00 179.01 176.56 1ug7 h ALA 38 N 1.40 -0.94 -0.87 2.92 0.00 0.20 0.16 119.26 122.13 1ug7 h ALA 38 Ca 0.35 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1ug7 h ALA 38 Cb 0.25 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1ug7 h ALA 38 CO -0.21 -0.98 -0.58 0.82 0.00 0.00 0.00 179.25 178.31 1ug7 h ILE 39 N -0.56 0.00 -0.69 0.00 2.04 0.22 0.71 117.51 119.23 1ug7 h ILE 39 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1ug7 h ILE 39 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.45 1ug7 h ILE 39 CO -0.08 0.00 -0.12 -0.78 0.00 0.00 0.00 178.15 177.17 1ug7 h ASP 40 N -0.09 -0.55 0.16 1.72 3.58 -1.07 0.49 116.42 120.66 1ug7 h ASP 40 Ca 0.15 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1ug7 h ASP 40 Cb 0.45 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1ug7 h ASP 40 CO -0.87 -0.21 -0.21 -0.08 -2.88 0.00 0.00 179.24 175.00 1ug7 h GLU 41 N 0.03 -0.36 -0.02 0.28 4.57 0.33 0.74 114.58 120.14 1ug7 h GLU 41 Ca 0.35 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1ug7 h GLU 41 Cb 0.55 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 1ug7 h GLU 41 CO -0.68 -0.24 -0.29 1.88 -1.18 0.00 0.00 179.01 178.49 1ug7 h TYR 42 N -0.38 -0.87 -0.70 0.92 0.05 0.15 -1.09 116.97 115.06 1ug7 h TYR 42 Ca -0.02 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.85 1ug7 h TYR 42 Cb 0.34 0.38 -0.08 0.00 1.01 0.00 0.00 36.73 38.38 1ug7 h TYR 42 CO -0.21 -0.31 -0.41 1.04 -1.05 0.00 0.00 178.16 177.22 1ug7 n GLN 43 N -4.12 -0.31 -0.30 4.88 6.02 0.16 0.46 117.38 124.19 1ug7 n GLN 43 Ca -0.04 1.33 -0.11 0.00 -0.01 0.00 0.00 57.00 58.17 1ug7 n GLN 43 Cb 0.21 -1.96 -0.09 0.00 1.02 0.00 0.00 30.24 29.42 1ug7 n GLN 43 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ug7 h ILE 44 N 0.00 0.00 -0.99 5.09 5.03 -0.53 1.34 117.51 127.45 1ug7 h ILE 44 Ca 0.11 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 65.07 1ug7 h ILE 44 Cb 0.29 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.98 1ug7 h ILE 44 CO -0.66 0.00 0.62 0.25 -0.68 0.00 0.00 178.15 177.69 1ug7 h LEU 45 N -0.13 0.61 0.48 1.44 5.85 0.49 0.80 115.31 124.85 1ug7 h LEU 45 Ca 0.12 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1ug7 h LEU 45 Cb 0.44 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1ug7 h LEU 45 CO -0.76 0.19 -0.28 0.00 -0.34 0.00 0.00 178.44 177.25 1ug7 h ALA 46 N 1.64 -1.13 -0.19 1.25 0.00 0.68 0.59 119.26 122.09 1ug7 h ALA 46 Ca 0.56 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1ug7 h ALA 46 Cb 1.13 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ug7 h ALA 46 CO -0.32 -1.10 0.14 0.00 0.00 0.00 0.00 179.25 177.96 1ug7 h ARG 47 N -0.71 0.00 -0.04 0.00 -0.00 0.27 0.18 114.38 114.07 1ug7 h ARG 47 Ca -0.07 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.29 1ug7 h ARG 47 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.52 1ug7 h ARG 47 CO 0.07 0.00 -0.53 0.45 0.00 0.00 0.00 179.97 179.96 1ug7 h HIS 48 N 0.00 0.15 -0.45 3.04 3.86 0.11 -2.62 115.15 119.24 1ug7 h HIS 48 Ca 0.09 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1ug7 h HIS 48 Cb 0.37 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1ug7 h HIS 48 CO 0.00 0.63 -0.03 -0.07 0.86 0.00 0.00 177.93 179.32 1ug7 h LEU 49 N 0.10 0.81 -0.38 2.43 3.38 0.32 -2.99 115.31 118.98 1ug7 h LEU 49 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ug7 h LEU 49 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1ug7 h LEU 49 CO 0.08 0.94 0.25 1.56 0.09 0.00 0.00 178.44 181.36 1ug7 h GLN 50 N 0.66 0.51 -1.65 1.13 4.20 -1.26 0.72 115.11 119.42 1ug7 h GLN 50 Ca 0.13 -0.03 0.52 0.00 0.06 0.00 0.00 58.65 59.32 1ug7 h GLN 50 Cb 0.54 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.10 1ug7 h GLN 50 CO 0.03 0.34 1.14 1.17 -0.67 0.00 0.00 178.83 180.84 1ug7 n LYS 51 N -4.82 -0.02 -0.07 1.46 3.00 -1.00 0.18 118.16 116.89 1ug7 n LYS 51 Ca 0.00 1.13 -0.17 0.00 -0.00 0.00 0.00 58.31 59.28 1ug7 n LYS 51 Cb 0.03 -2.42 -0.13 0.00 0.00 0.00 0.00 35.03 32.50 1ug7 n LYS 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ug7 n GLU 52 N -4.24 0.69 0.35 1.64 -0.58 -0.63 -2.48 120.64 115.39 1ug7 n GLU 52 Ca 0.41 0.18 -0.14 0.00 -0.42 0.00 0.00 57.16 57.19 1ug7 n GLU 52 Cb 1.76 -1.61 -0.07 0.00 -0.57 0.00 0.00 31.44 30.96 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 0.27 -1.00 -0.14 0.62 0.00 0.40 -3.22 119.26 116.18 1ug7 h ALA 53 Ca -0.50 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1ug7 h ALA 53 Cb 2.00 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 20.14 1ug7 h ALA 53 CO -0.00 -0.93 -0.50 -0.56 0.00 0.00 0.00 179.25 177.26 1ug7 h GLN 54 N -1.14 0.37 -5.92 0.00 3.07 0.18 -3.34 115.11 108.34 1ug7 h GLN 54 Ca -0.09 -0.22 -0.20 0.00 0.09 0.00 0.00 58.65 58.23 1ug7 h GLN 54 Cb 0.70 0.02 0.01 0.00 0.08 0.00 0.00 27.48 28.28 1ug7 h GLN 54 CO 0.15 0.79 -0.75 0.00 0.09 0.00 0.00 178.83 179.11 1ug7 n ALA 55 N -2.49 -2.67 -1.00 0.06 0.00 -1.03 -4.57 120.51 108.81 1ug7 n ALA 55 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ug7 n ALA 55 Cb 0.56 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 -0.77 0.00 -1.81 0.00 1.13 -1.25 -2.01 117.38 112.66 1ug7 n GLN 56 Ca -0.02 0.27 -0.35 0.00 -1.94 0.00 0.00 57.00 54.96 1ug7 n GLN 56 Cb 0.57 -0.77 -0.02 0.00 0.11 0.00 0.00 30.24 30.12 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1ug7 n HIS 57 N -0.54 2.19 -3.54 1.08 8.25 -1.26 -4.80 115.22 116.59 1ug7 n HIS 57 Ca 0.00 -2.43 -0.32 0.00 -0.26 0.00 0.00 57.72 54.71 1ug7 n HIS 57 Cb 0.00 -1.60 0.03 0.00 1.12 0.00 0.00 29.99 29.54 1ug7 n HIS 57 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ug7 n ASN 58 N 1.23 -5.50 -3.68 0.41 5.15 -0.85 -4.95 115.26 107.07 1ug7 n ASN 58 Ca 0.56 -0.35 -0.30 0.00 -0.60 0.00 0.00 54.58 53.89 1ug7 n ASN 58 Cb 0.38 -1.95 -0.14 0.00 -0.53 0.00 0.00 39.78 37.54 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ug7 s ASN 59 N -2.01 3.75 0.00 1.20 3.84 -1.26 -5.06 114.94 115.40 1ug7 s ASN 59 Ca 0.26 -1.99 0.00 0.00 0.21 0.00 0.00 52.86 51.34 1ug7 s ASN 59 Cb -0.03 -0.82 0.00 0.00 -0.55 0.00 0.00 41.25 39.85 1ug7 s ASN 59 CO 0.87 -0.36 0.00 -1.54 -2.79 0.00 0.00 177.10 173.29 1ug7 n SER 60 N 4.37 0.00 -2.08 -4.21 3.41 -1.26 -4.52 113.62 109.34 1ug7 n SER 60 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.39 1ug7 n SER 60 Cb 0.39 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ug7 n GLU 61 N 0.00 2.18 -4.66 4.33 4.71 -1.26 -4.90 120.64 121.04 1ug7 n GLU 61 Ca 0.00 -2.31 -0.30 0.00 -0.01 0.00 0.00 57.16 54.54 1ug7 n GLU 61 Cb 0.00 -1.91 -0.08 0.00 -1.01 0.00 0.00 31.44 28.44 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1ug7 s PHE 62 N -2.69 1.88 0.44 -0.32 0.40 -1.26 -4.42 117.98 112.00 1ug7 s PHE 62 Ca 0.46 -1.06 0.08 0.00 -0.60 0.00 0.00 56.93 55.81 1ug7 s PHE 62 Cb 0.36 -1.45 -0.00 0.00 0.51 0.00 0.00 43.02 42.43 1ug7 s PHE 62 CO -0.00 0.05 0.46 -0.08 0.70 0.00 0.00 175.22 176.34 1ug7 s THR 63 N -2.99 2.65 0.15 0.64 -1.32 -1.26 -4.93 115.64 108.58 1ug7 s THR 63 Ca 0.14 -1.24 -0.20 0.00 -1.21 0.00 0.00 61.69 59.18 1ug7 s THR 63 Cb 0.03 -2.89 0.05 0.00 -1.51 0.00 0.00 72.50 68.18 1ug7 s THR 63 CO 0.08 0.00 1.65 -0.33 -2.21 0.00 0.00 174.62 173.81 1ug7 h GLU 64 N 0.85 -0.15 -0.36 7.08 5.08 -2.00 0.79 114.58 125.87 1ug7 h GLU 64 Ca -0.40 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1ug7 h GLU 64 Cb 1.27 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.48 1ug7 h GLU 64 CO 0.53 -0.10 -0.51 0.93 -1.00 0.00 0.00 179.01 178.85 1ug7 h GLU 65 N -0.16 -0.39 0.36 2.33 4.39 -2.00 0.17 114.58 119.29 1ug7 h GLU 65 Ca 0.15 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1ug7 h GLU 65 Cb 0.39 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1ug7 h GLU 65 CO -0.38 -0.26 -0.50 1.96 -1.16 0.00 0.00 179.01 178.67 1ug7 h GLN 66 N -0.41 -0.87 -0.97 2.33 4.20 -1.74 -1.89 115.11 115.76 1ug7 h GLN 66 Ca 0.09 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.06 1ug7 h GLN 66 Cb 0.61 0.20 -0.18 0.00 0.30 0.00 0.00 27.48 28.40 1ug7 h GLN 66 CO -0.56 -0.58 -0.20 0.87 -0.67 0.00 0.00 178.83 177.69 1ug7 h LYS 67 N -0.91 0.00 -0.07 1.46 1.57 -0.22 0.18 116.57 118.58 1ug7 h LYS 67 Ca -0.04 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ug7 h LYS 67 Cb 0.83 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1ug7 h LYS 67 CO -0.14 0.00 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.41 1ug7 h LYS 68 N 0.00 -0.08 -0.43 3.15 1.63 0.13 0.25 116.57 121.22 1ug7 h LYS 68 Ca 0.49 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.37 1ug7 h LYS 68 Cb 0.79 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.34 1ug7 h LYS 68 CO -0.98 -0.05 -0.32 1.15 -3.45 0.00 0.00 179.45 175.79 1ug7 h THR 69 N -0.08 0.23 -0.99 1.00 2.02 -0.59 0.31 112.91 114.81 1ug7 h THR 69 Ca 0.01 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.53 1ug7 h THR 69 Cb 0.12 0.23 -0.18 0.00 -1.74 0.00 0.00 68.15 66.58 1ug7 h THR 69 CO -0.11 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.47 1ug7 h ILE 70 N -0.23 0.04 0.07 3.11 2.04 0.05 0.50 117.51 123.08 1ug7 h ILE 70 Ca 0.18 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1ug7 h ILE 70 Cb 0.54 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ug7 h ILE 70 CO -0.56 0.01 -0.03 1.23 0.00 0.00 0.00 178.15 178.79 1ug7 h GLY 71 N 0.04 -0.09 -0.28 5.37 0.00 0.16 -3.16 103.07 105.10 1ug7 h GLY 71 Ca 0.71 0.04 0.25 0.00 0.00 0.00 0.00 47.33 48.33 1ug7 h GLY 71 CO -0.82 -0.03 0.46 0.50 0.00 0.00 0.00 176.54 176.64 1ug7 h LYS 72 N -0.72 0.39 0.12 4.80 1.57 0.22 0.16 116.57 123.11 1ug7 h LYS 72 Ca -0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1ug7 h LYS 72 Cb 0.59 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1ug7 h LYS 72 CO 0.02 0.26 -0.39 0.82 -0.57 0.00 0.00 179.45 179.59 1ug7 h ILE 73 N 0.40 0.20 -0.37 1.86 2.04 -0.24 -2.08 117.51 119.32 1ug7 h ILE 73 Ca 0.61 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.54 1ug7 h ILE 73 Cb 1.23 0.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 1ug7 h ILE 73 CO -0.55 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.20 1ug7 h ALA 74 N -0.10 -0.39 -0.99 1.87 0.00 -0.69 0.81 119.26 119.77 1ug7 h ALA 74 Ca 0.02 0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.21 1ug7 h ALA 74 Cb 0.65 0.83 -0.19 0.00 0.00 0.00 0.00 17.79 19.09 1ug7 h ALA 74 CO -0.23 -0.84 -0.19 2.41 0.00 0.00 0.00 179.25 180.41 1ug7 n THR 75 N -5.42 -0.42 -0.01 0.00 -1.04 -0.70 0.15 114.28 106.84 1ug7 n THR 75 Ca -0.01 2.25 -0.10 0.00 -2.04 0.00 0.00 64.05 64.16 1ug7 n THR 75 Cb 0.35 -3.16 -0.04 0.00 -1.82 0.00 0.00 70.33 65.66 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 -0.02 -1.86 -1.60 0.00 3.38 0.23 1.46 115.31 116.92 1ug7 h LEU 77 Ca 0.06 0.27 0.39 0.00 0.09 0.00 0.00 57.88 58.69 1ug7 h LEU 77 Cb 0.11 0.80 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1ug7 h LEU 77 CO -0.14 -0.34 1.18 -0.33 0.09 0.00 0.00 178.44 178.90 1ug7 h GLU 78 N -0.25 0.00 0.03 1.13 5.08 -0.79 0.49 114.58 120.27 1ug7 h GLU 78 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ug7 h GLU 78 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ug7 h GLU 78 CO -0.71 0.00 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.21 1ug7 h LEU 79 N 0.00 -0.03 -0.05 1.33 3.38 0.21 -3.05 115.31 117.09 1ug7 h LEU 79 Ca 0.64 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.44 1ug7 h LEU 79 Cb 2.98 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 43.71 1ug7 h LEU 79 CO -0.01 0.55 -0.26 -0.09 0.09 0.00 0.00 178.44 178.72 1ug7 h ARG 80 N -1.00 -0.28 -0.79 1.13 9.65 0.12 0.74 114.38 123.95 1ug7 h ARG 80 Ca -0.00 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1ug7 h ARG 80 Cb 0.21 0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.76 1ug7 h ARG 80 CO 0.01 -0.18 -0.52 0.77 2.80 0.00 0.00 179.97 182.84 1ug7 h SER 81 N -0.29 -1.89 -0.63 -3.80 0.02 -1.14 0.59 113.55 106.41 1ug7 h SER 81 Ca 0.01 0.28 0.12 0.00 -0.84 0.00 0.00 61.79 61.37 1ug7 h SER 81 Cb 0.33 0.82 -0.09 0.00 0.14 0.00 0.00 62.40 63.60 1ug7 h SER 81 CO -0.20 -0.24 0.12 0.00 -1.14 0.00 0.00 176.83 175.37 1ug7 h ALA 82 N 0.23 0.74 -1.04 3.77 0.00 -1.34 0.49 119.26 122.12 1ug7 h ALA 82 Ca 0.13 0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.45 1ug7 h ALA 82 Cb 0.40 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1ug7 h ALA 82 CO -0.78 -0.33 0.66 0.00 0.00 0.00 0.00 179.25 178.81 1ug7 h ALA 83 N 1.52 2.17 0.02 0.00 0.00 0.59 1.23 119.26 124.80 1ug7 h ALA 83 Ca 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ug7 h ALA 83 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ug7 h ALA 83 CO -0.44 -0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 178.13 1ug7 h LEU 84 N 0.42 -0.03 -1.83 0.00 3.38 0.18 -2.19 115.31 115.24 1ug7 h LEU 84 Ca 0.61 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ug7 h LEU 84 Cb 1.49 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1ug7 h LEU 84 CO -0.33 0.34 0.00 1.56 0.09 0.00 0.00 178.44 180.10 1ug7 h GLN 85 N -0.40 0.00 0.00 1.13 4.20 0.29 -0.50 115.11 119.82 1ug7 h GLN 85 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ug7 h GLN 85 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ug7 h GLN 85 CO 0.01 0.00 -0.17 -1.13 -0.67 0.00 0.00 178.83 176.86 1ug7 n SER 86 N -2.99 0.50 -1.35 1.46 3.41 0.39 -5.04 113.62 110.01 1ug7 n SER 86 Ca -0.00 0.37 0.16 0.00 -0.26 0.00 0.00 58.87 59.14 1ug7 n SER 86 Cb 0.22 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.90 -0.38 -1.52 6.66 -1.04 -0.20 -4.29 114.28 111.61 1ug7 n THR 87 Ca 0.06 0.62 -0.28 0.00 -2.04 0.00 0.00 64.05 62.40 1ug7 n THR 87 Cb 0.39 -1.05 -0.16 0.00 -1.82 0.00 0.00 70.33 67.69 1ug7 n THR 87 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1ug7 n GLN 88 N -4.12 0.21 0.00 -2.82 7.27 -1.26 -4.70 117.38 111.95 1ug7 n GLN 88 Ca -0.06 -0.14 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1ug7 n GLN 88 Cb 0.64 -1.87 0.00 0.00 2.41 0.00 0.00 30.24 31.42 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ug7 n SER 89 N 10.39 0.00 -1.21 1.69 2.88 -1.26 -5.16 113.62 120.95 1ug7 n SER 89 Ca 0.60 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.31 1ug7 n SER 89 Cb 0.20 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 1ug7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ug7 n GLN 90 N -0.05 -2.44 -3.11 -1.46 6.02 -1.26 -4.59 117.38 110.48 1ug7 n GLN 90 Ca 0.00 1.61 -0.26 0.00 -0.01 0.00 0.00 57.00 58.35 1ug7 n GLN 90 Cb 0.00 -2.98 -0.05 0.00 1.02 0.00 0.00 30.24 28.23 1ug7 n GLN 90 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ug7 n GLU 91 N -3.72 2.59 0.00 -1.09 1.02 -1.26 -5.05 120.64 113.13 1ug7 n GLU 91 Ca 0.01 -4.51 0.00 0.00 -0.02 0.00 0.00 57.16 52.64 1ug7 n GLU 91 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ug7 n GLU 92 N 0.21 3.49 -3.13 3.49 1.02 -1.26 -5.05 120.64 119.41 1ug7 n GLU 92 Ca 0.29 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.06 1ug7 n GLU 92 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.80 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ug7 s PHE 93 N 1.70 3.75 0.00 -0.32 5.36 -1.26 -5.08 117.98 122.14 1ug7 s PHE 93 Ca 0.00 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1ug7 s PHE 93 Cb 0.00 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 1ug7 s PHE 93 CO 0.00 0.46 0.00 0.36 -1.46 0.00 0.00 175.22 174.58 1ug7 n LYS 94 N 1.21 1.80 -0.07 10.12 2.85 -1.26 -4.62 118.16 128.18 1ug7 n LYS 94 Ca -0.05 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 1ug7 n LYS 94 Cb 0.50 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.80 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 0.00 -1.62 -5.58 3.38 -1.98 -2.27 115.31 107.25 1ug7 h LEU 95 Ca 0.00 -0.62 0.23 0.00 0.09 0.00 0.00 57.88 57.58 1ug7 h LEU 95 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1ug7 h LEU 95 CO 0.00 0.92 0.63 1.05 0.09 0.00 0.00 178.44 181.13 1ug7 h GLU 96 N -1.00 0.28 0.00 1.13 4.11 -1.98 1.63 114.58 118.75 1ug7 h GLU 96 Ca -0.04 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 1ug7 h GLU 96 Cb 0.75 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1ug7 h GLU 96 CO -0.03 0.19 -0.70 -0.44 0.07 0.00 0.00 179.01 178.09 1ug7 h ASP 97 N 0.29 0.00 0.23 3.06 3.32 -1.97 -3.27 116.42 118.07 1ug7 h ASP 97 Ca 0.48 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.21 1ug7 h ASP 97 Cb 1.39 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.98 1ug7 h ASP 97 CO -0.15 0.58 -1.41 0.25 -1.72 0.00 0.00 179.24 176.79 1ug7 h LEU 98 N 0.00 0.86 -2.03 1.55 5.85 0.17 -3.11 115.31 118.60 1ug7 h LEU 98 Ca -0.03 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1ug7 h LEU 98 Cb 1.47 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ug7 h LEU 98 CO 0.07 1.68 0.16 0.11 -0.34 0.00 0.00 178.44 180.12 1ug7 h LYS 99 N 0.19 0.00 0.00 1.25 1.57 0.18 0.75 116.57 120.51 1ug7 h LYS 99 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1ug7 h LYS 99 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.40 1ug7 h LYS 99 CO 0.27 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.78 1ug7 n LYS 100 N -2.70 0.20 -0.08 3.15 5.02 -1.17 -1.00 118.16 121.58 1ug7 n LYS 100 Ca -0.02 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1ug7 n LYS 100 Cb 0.20 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.86 1ug7 n LYS 100 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ug7 n LEU 101 N -1.31 3.18 -0.06 -0.35 4.77 0.26 -3.88 117.00 119.60 1ug7 n LEU 101 Ca 0.07 -1.21 -0.14 0.00 -0.03 0.00 0.00 56.01 54.70 1ug7 n LEU 101 Cb 0.14 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 1ug7 n LEU 101 CO 0.13 0.60 0.40 -0.08 -1.33 0.00 0.00 177.39 177.11 1ug7 h GLU 102 N 4.55 -0.00 -0.00 3.23 4.22 -1.18 -3.04 114.58 122.36 1ug7 h GLU 102 Ca 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.28 1ug7 h GLU 102 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1ug7 h GLU 102 CO 0.00 0.94 -0.76 -1.00 -2.18 0.00 0.00 179.01 176.01 1ug7 h PRO 103 N -0.96 0.02 -0.34 0.92 0.13 -1.75 -2.27 132.00 127.75 1ug7 h PRO 103 Ca -0.00 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ug7 h PRO 103 Cb 0.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1ug7 h PRO 103 CO 0.00 0.76 0.20 0.82 -0.23 0.00 0.00 178.00 179.55 1ug7 h ILE 104 N 0.01 1.12 -0.06 -3.56 2.04 -1.69 1.68 117.51 117.05 1ug7 h ILE 104 Ca -0.01 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 1ug7 h ILE 104 Cb 1.34 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1ug7 h ILE 104 CO 0.10 0.12 -0.51 -0.07 0.00 0.00 0.00 178.15 177.79 1ug7 h LEU 105 N 0.43 0.17 0.06 1.44 3.38 -1.52 0.43 115.31 119.70 1ug7 h LEU 105 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ug7 h LEU 105 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ug7 h LEU 105 CO -0.02 0.65 -0.03 0.50 0.09 0.00 0.00 178.44 179.63 1ug7 h LYS 106 N 0.12 -0.08 -0.87 1.13 3.64 -0.74 -3.11 116.57 116.67 1ug7 h LYS 106 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1ug7 h LYS 106 Cb 0.94 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.69 1ug7 h LYS 106 CO 0.07 0.46 0.19 0.09 -2.27 0.00 0.00 179.45 178.00 1ug7 n ASN 107 N -4.85 3.69 -0.38 4.20 3.02 0.57 -4.44 115.26 117.07 1ug7 n ASN 107 Ca -0.08 -2.76 0.29 0.00 -0.03 0.00 0.00 54.58 52.00 1ug7 n ASN 107 Cb 0.29 -0.66 0.57 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.58 0.33 0.12 2.41 1.08 -0.06 1.75 117.51 124.72 1ug7 h ILE 108 Ca 0.18 -0.08 -0.27 0.00 -0.39 0.00 0.00 64.86 64.30 1ug7 h ILE 108 Cb 1.75 0.06 0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1ug7 h ILE 108 CO 0.48 0.04 -1.22 -0.07 -0.69 0.00 0.00 178.15 176.69 1ug7 h LEU 109 N 0.24 0.45 -4.91 1.44 3.38 -1.83 -3.33 115.31 110.75 1ug7 h LEU 109 Ca 0.70 -0.47 -0.66 0.00 0.09 0.00 0.00 57.88 57.55 1ug7 h LEU 109 Cb 2.00 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 42.24 1ug7 h LEU 109 CO -0.37 1.36 -0.06 0.41 0.09 0.00 0.00 178.44 179.86 1ug7 n THR 110 N -3.56 3.13 -4.67 0.22 -1.04 0.51 -4.99 114.28 103.89 1ug7 n THR 110 Ca -0.09 -4.94 -0.32 0.00 -2.04 0.00 0.00 64.05 56.66 1ug7 n THR 110 Cb 1.01 -1.30 -0.17 0.00 -1.82 0.00 0.00 70.33 68.05 1ug7 n THR 110 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1ug7 s TYR 111 N -3.75 2.65 -0.04 -1.42 6.14 0.35 -4.81 117.35 116.47 1ug7 s TYR 111 Ca 0.49 -1.34 -0.30 0.00 0.64 0.00 0.00 57.07 56.56 1ug7 s TYR 111 Cb 0.38 -1.80 -0.05 0.00 0.42 0.00 0.00 41.96 40.91 1ug7 s TYR 111 CO -0.24 -0.61 1.40 0.54 0.64 0.00 0.00 175.55 177.27 1ug7 s ASN 112 N 0.82 6.86 0.95 4.32 4.22 -1.26 -4.99 114.94 125.86 1ug7 s ASN 112 Ca -0.07 2.04 -0.10 0.00 -2.14 0.00 0.00 52.86 52.59 1ug7 s ASN 112 Cb -0.15 -2.55 0.15 0.00 1.28 0.00 0.00 41.25 39.97 1ug7 s ASN 112 CO -0.02 -0.74 0.34 0.29 -2.04 0.00 0.00 177.10 174.93 1ug7 n LYS 113 N 5.81 -1.80 -1.69 3.55 4.76 -1.26 -4.64 118.16 122.89 1ug7 n LYS 113 Ca 0.14 -0.57 -0.01 0.00 -2.87 0.00 0.00 58.31 54.99 1ug7 n LYS 113 Cb 0.44 -0.95 0.01 0.00 -1.84 0.00 0.00 35.03 32.69 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ug7 n GLU 114 N -2.24 -0.23 -1.06 1.97 2.13 -1.26 -4.96 120.64 114.99 1ug7 n GLU 114 Ca 0.05 0.14 -0.34 0.00 0.66 0.00 0.00 57.16 57.68 1ug7 n GLU 114 Cb 0.24 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 29.98 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 -1.63 -1.94 0.03 4.31 7.35 -1.26 -4.87 117.46 119.45 1ug7 n PHE 115 Ca -0.01 0.47 -0.17 0.00 -0.76 0.00 0.00 57.45 56.99 1ug7 n PHE 115 Cb 0.51 -1.45 -0.07 0.00 0.35 0.00 0.00 39.48 38.83 1ug7 n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1ug7 h PRO 116 N 0.18 0.62 0.00 -7.13 0.13 -1.94 -3.14 132.00 120.73 1ug7 h PRO 116 Ca -0.31 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1ug7 h PRO 116 Cb 1.20 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ug7 h PRO 116 CO 0.37 1.22 -0.31 1.19 -0.23 0.00 0.00 178.00 180.24 1ug7 n PHE 117 N -3.85 0.07 -3.37 1.56 3.72 -1.26 -4.99 117.46 109.35 1ug7 n PHE 117 Ca -0.08 0.02 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 1ug7 n PHE 117 Cb 0.82 -0.40 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 1ug7 n PHE 117 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ug7 n ASP 118 N -1.57 -5.53 -4.10 4.37 8.00 -1.19 -4.95 116.55 111.58 1ug7 n ASP 118 Ca 0.06 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.23 1ug7 n ASP 118 Cb 0.35 -1.54 -0.17 0.00 -0.02 0.00 0.00 41.12 39.74 1ug7 n ASP 118 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ug7 s VAL 119 N -1.31 1.59 -0.27 2.53 -7.23 -1.26 -5.08 120.40 109.38 1ug7 s VAL 119 Ca 0.29 -0.73 -0.41 0.00 -1.81 0.00 0.00 61.98 59.33 1ug7 s VAL 119 Cb -0.03 -1.42 -0.18 0.00 0.56 0.00 0.00 36.38 35.30 1ug7 s VAL 119 CO 0.66 0.46 1.27 0.00 -0.31 0.00 0.00 175.10 177.18 1ug7 n GLN 120 N 3.89 0.00 -2.54 4.82 6.02 -1.26 -4.70 117.38 123.62 1ug7 n GLN 120 Ca -0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 1ug7 n GLN 120 Cb 0.52 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 1ug7 n GLN 120 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1ug7 s PRO 121 N 1.61 3.94 0.28 -1.09 0.04 -1.26 -4.71 135.00 133.80 1ug7 s PRO 121 Ca 0.91 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 1ug7 s PRO 121 Cb -1.29 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.87 1ug7 s PRO 121 CO 0.66 -0.32 1.15 0.42 0.04 0.00 0.00 177.00 178.95 1ug7 s ILE 122 N -1.84 3.35 -0.49 0.56 1.01 -1.26 -4.85 121.20 117.68 1ug7 s ILE 122 Ca 0.63 1.33 -0.44 0.00 0.00 0.00 0.00 60.65 62.17 1ug7 s ILE 122 Cb -0.19 -3.85 -0.19 0.00 0.01 0.00 0.00 42.46 38.25 1ug7 s ILE 122 CO 0.23 0.30 1.88 -1.20 0.00 0.00 0.00 174.94 176.16 1ug7 n SER 123 N 1.29 0.90 0.00 3.58 7.64 -1.26 -4.79 113.62 120.98 1ug7 n SER 123 Ca -0.00 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1ug7 n SER 123 Cb 0.44 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 6.00 0.41 0.07 0.23 0.00 -1.26 -3.76 105.19 106.88 1ug7 n GLY 124 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 1ug7 n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug7 h PRO 125 N 0.00 0.04 -2.18 1.61 0.13 -1.81 -3.39 132.00 126.40 1ug7 h PRO 125 Ca 0.00 -0.04 0.21 0.00 -0.87 0.00 0.00 66.00 65.30 1ug7 h PRO 125 Cb 0.00 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 1ug7 h PRO 125 CO 0.00 0.78 0.58 0.45 -0.23 0.00 0.00 178.00 179.58 1ug7 s SER 126 N -6.04 -0.12 0.01 1.44 0.15 -1.26 -5.13 113.70 102.76 1ug7 s SER 126 Ca -0.17 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 55.95 1ug7 s SER 126 Cb -0.00 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1ug7 s SER 126 CO 0.70 -0.78 0.30 -0.44 1.20 0.00 0.00 173.24 174.22 1ug7 s SER 127 N -3.04 -0.15 0.00 5.45 0.01 -1.26 -5.09 113.70 109.62 1ug7 s SER 127 Ca 0.14 -0.06 0.26 0.00 1.31 0.00 0.00 55.95 57.61 1ug7 s SER 127 Cb -0.00 0.33 1.54 0.00 0.21 0.00 0.00 66.02 68.10 1ug7 s SER 127 CO 0.01 -0.53 1.90 0.61 0.41 0.00 0.00 173.24 175.65