#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 -6.07 -4.31 1.61 3.41 -1.26 -4.91 113.62 102.09 1ug7 n SER 2 Ca 0.00 0.14 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 1ug7 n SER 2 Cb 0.00 -1.74 -0.12 0.00 -0.26 0.00 0.00 64.21 62.09 1ug7 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ug7 s SER 3 N -1.27 5.29 0.00 4.04 1.04 -1.26 -4.96 113.70 116.58 1ug7 s SER 3 Ca 0.20 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1ug7 s SER 3 Cb -0.02 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1ug7 s SER 3 CO 0.47 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1ug7 n GLY 4 N 4.85 2.76 3.23 7.32 0.00 -1.26 -5.16 105.19 116.92 1ug7 n GLY 4 Ca -0.13 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1ug7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug7 s SER 5 N 1.24 2.29 -0.29 1.61 0.01 -1.26 -5.13 113.70 112.16 1ug7 s SER 5 Ca 0.00 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 56.57 1ug7 s SER 5 Cb 0.00 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.17 1ug7 s SER 5 CO 0.00 0.10 0.69 -0.55 0.41 0.00 0.00 173.24 173.90 1ug7 s SER 6 N -1.34 -0.99 0.44 2.44 0.15 -1.26 -5.15 113.70 107.98 1ug7 s SER 6 Ca 0.06 1.50 -0.26 0.00 0.70 0.00 0.00 55.95 57.95 1ug7 s SER 6 Cb -0.09 1.68 -0.09 0.00 -1.71 0.00 0.00 66.02 65.81 1ug7 s SER 6 CO 0.02 -0.23 1.45 0.61 1.20 0.00 0.00 173.24 176.29 1ug7 n GLY 7 N 4.67 1.06 2.26 9.45 0.00 -1.26 -4.48 105.19 116.90 1ug7 n GLY 7 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ug7 n MET 8 N -0.06 -5.35 -2.96 1.61 1.56 -1.26 -5.03 117.12 105.64 1ug7 n MET 8 Ca 0.04 3.85 -0.14 0.00 -0.27 0.00 0.00 57.70 61.18 1ug7 n MET 8 Cb 0.41 -4.59 -0.01 0.00 2.15 0.00 0.00 33.22 31.17 1ug7 n MET 8 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1ug7 n SER 9 N 1.86 -1.96 0.00 6.12 2.88 -1.26 -4.89 113.62 116.37 1ug7 n SER 9 Ca 0.00 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1ug7 n SER 9 Cb 0.00 0.86 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1ug7 n SER 9 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ug7 n GLU 10 N 2.13 0.00 0.00 -1.46 2.13 -1.26 -4.12 120.64 118.06 1ug7 n GLU 10 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1ug7 n GLU 10 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1ug7 n GLU 10 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ug7 n VAL 11 N 0.00 0.00 -0.32 6.31 0.31 -1.26 -2.26 118.33 121.11 1ug7 n VAL 11 Ca 0.00 1.17 0.19 0.00 -0.01 0.00 0.00 64.34 65.69 1ug7 n VAL 11 Cb 0.00 -2.15 0.36 0.00 -0.91 0.00 0.00 33.84 31.15 1ug7 n VAL 11 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ug7 n THR 12 N -1.04 -0.40 -0.23 2.52 -1.04 -1.26 0.12 114.28 112.95 1ug7 n THR 12 Ca 0.00 2.03 -0.01 0.00 -2.04 0.00 0.00 64.05 64.03 1ug7 n THR 12 Cb 0.00 -3.06 0.06 0.00 -1.82 0.00 0.00 70.33 65.51 1ug7 n THR 12 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ug7 h ARG 13 N 0.00 -0.04 0.00 -2.82 2.43 -1.81 1.26 114.38 113.40 1ug7 h ARG 13 Ca 0.64 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.78 1ug7 h ARG 13 Cb 1.47 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1ug7 h ARG 13 CO -0.84 -0.03 -0.17 1.03 -1.51 0.00 0.00 179.97 178.45 1ug7 h SER 14 N -0.04 0.00 0.61 -3.80 0.87 0.13 -3.13 113.55 108.20 1ug7 h SER 14 Ca 0.31 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1ug7 h SER 14 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1ug7 h SER 14 CO -0.71 0.17 -0.30 0.25 -0.53 0.00 0.00 176.83 175.71 1ug7 h LEU 15 N 0.00 -0.70 -1.51 2.23 7.12 0.25 -0.73 115.31 121.97 1ug7 h LEU 15 Ca -0.00 -0.01 0.20 0.00 0.13 0.00 0.00 57.88 58.20 1ug7 h LEU 15 Cb 0.60 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.89 1ug7 h LEU 15 CO 0.02 -0.32 0.83 -0.07 -0.13 0.00 0.00 178.44 178.77 1ug7 h LEU 16 N -1.16 0.00 0.00 2.25 3.38 -0.65 0.18 115.31 119.31 1ug7 h LEU 16 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ug7 h LEU 16 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ug7 h LEU 16 CO 0.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1ug7 n GLN 17 N -3.44 0.00 -0.45 1.13 1.13 -0.99 -2.42 117.38 112.35 1ug7 n GLN 17 Ca 0.15 0.46 0.41 0.00 -1.94 0.00 0.00 57.00 56.08 1ug7 n GLN 17 Cb 1.07 -0.99 0.73 0.00 0.11 0.00 0.00 30.24 31.16 1ug7 n GLN 17 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1ug7 h ARG 18 N 0.00 0.00 0.15 -1.09 -0.00 -0.18 0.62 114.38 113.88 1ug7 h ARG 18 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1ug7 h ARG 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1ug7 h ARG 18 CO 0.00 0.00 -0.07 -1.49 -0.00 0.00 0.00 179.97 178.41 1ug7 h TRP 19 N 0.00 -0.18 -0.95 4.08 6.55 -0.79 -2.51 115.95 122.15 1ug7 h TRP 19 Ca 0.69 -0.00 0.20 0.00 0.95 0.00 0.00 58.89 60.73 1ug7 h TRP 19 Cb 2.97 0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 31.25 1ug7 h TRP 19 CO 0.00 -0.11 0.61 0.78 -1.05 0.00 0.00 178.44 178.66 1ug7 h GLY 20 N -0.31 1.21 0.43 1.49 0.00 -0.40 0.16 103.07 105.65 1ug7 h GLY 20 Ca -0.02 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.11 1ug7 h GLY 20 CO 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 176.54 176.49 1ug7 h ALA 21 N 1.62 0.19 0.04 3.60 0.00 0.07 0.26 119.26 125.04 1ug7 h ALA 21 Ca 0.51 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.54 1ug7 h ALA 21 Cb 1.05 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1ug7 h ALA 21 CO -0.25 -0.47 -0.33 0.77 0.00 0.00 0.00 179.25 178.97 1ug7 h SER 22 N 0.00 -1.01 -0.29 0.00 0.02 -0.49 -0.07 113.55 111.70 1ug7 h SER 22 Ca 0.14 0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1ug7 h SER 22 Cb 0.21 0.38 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 1ug7 h SER 22 CO -0.29 -0.34 -0.39 0.25 -1.14 0.00 0.00 176.83 174.92 1ug7 h LEU 23 N -0.45 -1.27 -0.97 5.07 5.85 -1.32 0.30 115.31 122.53 1ug7 h LEU 23 Ca 0.00 0.19 0.19 0.00 0.84 0.00 0.00 57.88 59.10 1ug7 h LEU 23 Cb 0.46 0.55 -0.18 0.00 0.37 0.00 0.00 40.66 41.86 1ug7 h LEU 23 CO -0.20 -0.37 -0.27 0.03 -0.34 0.00 0.00 178.44 177.29 1ug7 h ARG 24 N -0.37 -0.00 -0.11 1.25 -0.00 -0.01 0.45 114.38 115.58 1ug7 h ARG 24 Ca 0.12 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.59 1ug7 h ARG 24 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.55 1ug7 h ARG 24 CO -0.49 -0.00 0.02 0.00 0.00 0.00 0.00 179.97 179.50 1ug7 h ARG 25 N -0.00 0.18 -0.93 0.04 -0.00 0.89 -2.40 114.38 112.15 1ug7 h ARG 25 Ca 0.44 -0.05 0.27 0.00 -0.50 0.00 0.00 59.98 60.14 1ug7 h ARG 25 Cb 0.69 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.60 1ug7 h ARG 25 CO -0.99 0.39 0.86 0.78 0.00 0.00 0.00 179.97 181.01 1ug7 h GLY 26 N -0.05 0.00 1.06 0.04 0.00 0.34 1.10 103.07 105.57 1ug7 h GLY 26 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.02 1ug7 h GLY 26 CO 0.00 0.00 -1.65 0.00 0.00 0.00 0.00 176.54 174.89 1ug7 h ALA 27 N 1.15 0.07 -0.74 3.60 0.00 -0.66 -2.89 119.26 119.79 1ug7 h ALA 27 Ca 0.44 -1.05 0.04 0.00 0.00 0.00 0.00 54.91 54.34 1ug7 h ALA 27 Cb 2.16 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 20.26 1ug7 h ALA 27 CO -0.00 0.94 0.49 0.38 0.00 0.00 0.00 179.25 181.05 1ug7 h ASP 28 N 0.12 0.75 0.23 0.00 3.04 0.16 0.25 116.42 120.98 1ug7 h ASP 28 Ca -0.31 -0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.47 1ug7 h ASP 28 Cb 2.11 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 40.24 1ug7 h ASP 28 CO 0.21 0.51 -0.11 -0.26 -2.04 0.00 0.00 179.24 177.55 1ug7 h PHE 29 N 0.87 -0.29 -0.07 4.15 0.04 -1.08 -2.70 116.94 117.86 1ug7 h PHE 29 Ca 0.30 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.10 1ug7 h PHE 29 Cb 0.10 0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.29 1ug7 h PHE 29 CO -0.00 0.09 -0.45 0.22 -0.60 0.00 0.00 178.31 177.57 1ug7 h ASP 30 N -0.82 -1.41 0.00 2.17 1.82 -1.22 1.67 116.42 118.63 1ug7 h ASP 30 Ca -0.03 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1ug7 h ASP 30 Cb 0.51 0.56 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1ug7 h ASP 30 CO 0.05 -0.46 0.00 -0.24 -1.61 0.00 0.00 179.24 176.98 1ug7 n SER 31 N -5.45 0.00 0.00 2.28 2.88 0.05 -2.83 113.62 110.55 1ug7 n SER 31 Ca -0.05 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1ug7 n SER 31 Cb 0.37 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1ug7 n SER 31 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1ug7 n TRP 32 N -2.27 0.00 0.00 0.66 8.01 -1.02 -4.81 117.44 118.00 1ug7 n TRP 32 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ug7 n TRP 32 Cb 0.00 -0.21 0.00 0.00 -2.01 0.00 0.00 31.31 29.09 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 -0.96 0.00 3.13 6.99 0.00 0.66 -5.10 105.19 109.91 1ug7 n GLY 33 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ug7 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ug7 s GLN 34 N 0.00 2.10 -0.21 1.61 -1.52 0.54 -4.94 119.66 117.24 1ug7 s GLN 34 Ca 0.00 -1.61 -0.21 0.00 -1.95 0.00 0.00 55.36 51.58 1ug7 s GLN 34 Cb 0.00 -3.38 -0.19 0.00 -0.22 0.00 0.00 33.01 29.23 1ug7 s GLN 34 CO 0.00 -0.88 0.20 -0.07 -0.25 0.00 0.00 175.29 174.29 1ug7 h LEU 35 N 7.97 0.00 -0.33 2.90 3.38 -1.91 -2.79 115.31 124.53 1ug7 h LEU 35 Ca -0.15 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.40 1ug7 h LEU 35 Cb 1.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 1ug7 h LEU 35 CO 0.61 1.47 -0.40 -0.37 0.09 0.00 0.00 178.44 179.84 1ug7 h VAL 36 N -1.00 0.16 -0.58 1.22 -1.51 -1.98 0.83 116.25 113.38 1ug7 h VAL 36 Ca -0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1ug7 h VAL 36 Cb 1.28 0.16 -0.03 0.00 -2.13 0.00 0.00 31.29 30.57 1ug7 h VAL 36 CO -0.21 0.00 0.33 -0.33 -1.23 0.00 0.00 177.57 176.14 1ug7 h GLU 37 N -0.35 0.80 -0.21 5.19 5.08 -1.98 0.61 114.58 123.72 1ug7 h GLU 37 Ca 0.13 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1ug7 h GLU 37 Cb 0.58 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1ug7 h GLU 37 CO -0.52 0.60 -0.12 0.00 -1.00 0.00 0.00 179.01 177.97 1ug7 h ALA 38 N 1.16 0.04 -0.46 3.43 0.00 -0.88 0.89 119.26 123.45 1ug7 h ALA 38 Ca 0.21 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ug7 h ALA 38 Cb 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ug7 h ALA 38 CO -0.04 -0.54 -0.01 0.82 0.00 0.00 0.00 179.25 179.48 1ug7 h ILE 39 N -0.11 1.26 0.32 0.00 2.04 0.95 -1.38 117.51 120.59 1ug7 h ILE 39 Ca 0.12 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1ug7 h ILE 39 Cb 0.28 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1ug7 h ILE 39 CO -0.27 0.37 -0.36 -0.78 0.00 0.00 0.00 178.15 177.11 1ug7 h ASP 40 N 0.66 -0.99 0.02 1.72 3.58 0.12 0.16 116.42 121.70 1ug7 h ASP 40 Ca 0.13 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1ug7 h ASP 40 Cb 0.51 0.34 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 1ug7 h ASP 40 CO 0.03 -0.49 -0.03 -0.08 -2.88 0.00 0.00 179.24 175.78 1ug7 h GLU 41 N -0.72 -0.05 -0.81 0.28 4.57 0.85 1.00 114.58 119.70 1ug7 h GLU 41 Ca -0.02 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1ug7 h GLU 41 Cb 0.66 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 1ug7 h GLU 41 CO -0.09 -0.03 -0.48 0.66 -1.18 0.00 0.00 179.01 177.90 1ug7 n TYR 42 N -2.50 -0.35 -0.05 0.92 4.01 -0.53 -0.01 117.16 118.64 1ug7 n TYR 42 Ca -0.01 1.01 -0.06 0.00 -0.16 0.00 0.00 57.90 58.68 1ug7 n TYR 42 Cb 0.02 -0.56 -0.04 0.00 -0.31 0.00 0.00 39.34 38.45 1ug7 n TYR 42 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1ug7 h GLN 43 N 0.00 -0.17 -0.81 -0.72 4.20 -0.58 1.25 115.11 118.27 1ug7 h GLN 43 Ca 0.13 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.95 1ug7 h GLN 43 Cb 0.33 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.03 1ug7 h GLN 43 CO -0.76 -0.12 -0.49 0.82 -0.67 0.00 0.00 178.83 177.61 1ug7 h ILE 44 N -0.18 0.03 -0.98 2.54 5.03 0.29 1.42 117.51 125.66 1ug7 h ILE 44 Ca 0.03 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.89 1ug7 h ILE 44 Cb 0.26 0.03 -0.08 0.00 -3.03 0.00 0.00 36.82 33.99 1ug7 h ILE 44 CO -0.25 0.00 0.62 0.25 -0.68 0.00 0.00 178.15 178.09 1ug7 h LEU 45 N -0.11 0.88 -0.30 1.44 5.85 0.58 0.13 115.31 123.78 1ug7 h LEU 45 Ca 0.20 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1ug7 h LEU 45 Cb 0.52 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1ug7 h LEU 45 CO -0.84 0.46 0.17 0.00 -0.34 0.00 0.00 178.44 177.90 1ug7 h ALA 46 N 1.55 0.38 -0.31 1.25 0.00 1.13 0.21 119.26 123.47 1ug7 h ALA 46 Ca 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1ug7 h ALA 46 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ug7 h ALA 46 CO -0.26 -0.11 0.10 0.00 0.00 0.00 0.00 179.25 178.98 1ug7 h ARG 47 N 0.38 0.44 -0.02 0.00 3.08 0.23 -2.58 114.38 115.91 1ug7 h ARG 47 Ca 0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1ug7 h ARG 47 Cb 0.03 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1ug7 h ARG 47 CO -0.02 0.39 -0.02 0.45 -1.07 0.00 0.00 179.97 179.70 1ug7 h HIS 48 N 0.44 0.07 -0.97 3.04 3.86 -0.02 -2.74 115.15 118.83 1ug7 h HIS 48 Ca 0.11 -0.02 0.31 0.00 -1.16 0.00 0.00 60.37 59.60 1ug7 h HIS 48 Cb 0.13 -0.01 -0.17 0.00 1.06 0.00 0.00 27.41 28.42 1ug7 h HIS 48 CO 0.00 0.54 0.26 -0.07 0.86 0.00 0.00 177.93 179.52 1ug7 h LEU 49 N -0.42 -0.07 -0.10 2.43 3.38 -0.21 0.83 115.31 121.14 1ug7 h LEU 49 Ca 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ug7 h LEU 49 Cb 0.53 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ug7 h LEU 49 CO 0.01 -0.32 0.02 1.56 0.09 0.00 0.00 178.44 179.80 1ug7 h GLN 50 N 0.08 0.17 -1.42 1.13 4.20 -1.43 0.18 115.11 118.02 1ug7 h GLN 50 Ca 0.67 -0.05 0.41 0.00 0.06 0.00 0.00 58.65 59.74 1ug7 h GLN 50 Cb 1.52 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.22 1ug7 h GLN 50 CO -0.79 0.37 1.12 -0.22 -0.67 0.00 0.00 178.83 178.64 1ug7 h LYS 51 N -0.06 0.00 0.02 1.46 1.63 0.98 1.74 116.57 122.33 1ug7 h LYS 51 Ca 0.03 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.48 1ug7 h LYS 51 Cb 0.29 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.86 1ug7 h LYS 51 CO 0.00 0.00 -2.16 0.39 -3.45 0.00 0.00 179.45 174.23 1ug7 n GLU 52 N -3.89 0.68 0.05 1.90 -0.58 -0.83 -2.74 120.64 115.23 1ug7 n GLU 52 Ca 0.31 0.15 -0.03 0.00 -0.42 0.00 0.00 57.16 57.17 1ug7 n GLU 52 Cb 1.56 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 30.79 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 0.68 -0.32 -0.20 0.62 0.00 0.48 -3.34 119.26 117.18 1ug7 h ALA 53 Ca -0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1ug7 h ALA 53 Cb 2.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1ug7 h ALA 53 CO 0.03 -0.31 -0.16 -0.56 0.00 0.00 0.00 179.25 178.25 1ug7 h GLN 54 N -0.52 0.33 -6.01 0.00 3.07 0.17 -3.47 115.11 108.68 1ug7 h GLN 54 Ca -0.02 -0.09 -0.33 0.00 0.09 0.00 0.00 58.65 58.30 1ug7 h GLN 54 Cb 0.14 -0.04 0.08 0.00 0.08 0.00 0.00 27.48 27.74 1ug7 h GLN 54 CO 0.03 0.49 -0.77 0.00 0.09 0.00 0.00 178.83 178.67 1ug7 n ALA 55 N -2.48 -2.57 -0.11 0.06 0.00 -1.05 -4.88 120.51 109.48 1ug7 n ALA 55 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1ug7 n ALA 55 Cb 0.31 -3.50 -0.05 0.00 0.00 0.00 0.00 19.45 16.21 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ug7 h GLN 56 N -1.13 -0.14 -1.96 0.00 4.15 -1.84 -3.28 115.11 110.91 1ug7 h GLN 56 Ca -0.53 0.01 -0.50 0.00 0.77 0.00 0.00 58.65 58.40 1ug7 h GLN 56 Cb 1.29 0.03 -0.41 0.00 0.21 0.00 0.00 27.48 28.61 1ug7 h GLN 56 CO 0.43 -0.09 -1.06 1.58 -1.93 0.00 0.00 178.83 177.75 1ug7 n HIS 57 N -4.10 1.23 0.00 3.99 -0.00 -1.26 -4.97 115.22 110.11 1ug7 n HIS 57 Ca -0.01 -3.74 0.00 0.00 -0.00 0.00 0.00 57.72 53.97 1ug7 n HIS 57 Cb 0.16 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.73 1ug7 n HIS 57 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1ug7 n ASN 58 N 0.11 0.00 -4.56 0.26 5.15 -1.24 -5.09 115.26 109.90 1ug7 n ASN 58 Ca 0.25 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.92 1ug7 n ASN 58 Cb 0.62 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.82 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1ug7 s ASN 59 N 0.00 5.32 1.01 1.20 -0.87 -1.26 -4.54 114.94 115.80 1ug7 s ASN 59 Ca 0.00 -0.46 -0.21 0.00 -1.57 0.00 0.00 52.86 50.62 1ug7 s ASN 59 Cb 0.00 -2.55 -0.12 0.00 -0.02 0.00 0.00 41.25 38.56 1ug7 s ASN 59 CO 0.00 -2.52 -0.87 -0.24 -2.57 0.00 0.00 177.10 170.91 1ug7 n SER 60 N 13.09 -3.93 -1.85 -1.22 2.88 -1.26 -4.78 113.62 116.56 1ug7 n SER 60 Ca 0.33 0.09 -0.17 0.00 -1.33 0.00 0.00 58.87 57.79 1ug7 n SER 60 Cb 0.49 -0.73 0.06 0.00 -0.75 0.00 0.00 64.21 63.28 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ug7 n GLU 61 N 1.43 1.82 -4.68 -1.46 -0.58 -1.26 -4.88 120.64 111.03 1ug7 n GLU 61 Ca -0.01 -1.71 -0.33 0.00 -0.42 0.00 0.00 57.16 54.69 1ug7 n GLU 61 Cb 0.64 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.72 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1ug7 s PHE 62 N -1.96 2.87 0.82 -0.32 0.08 -1.26 -3.97 117.98 114.24 1ug7 s PHE 62 Ca 0.33 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 1ug7 s PHE 62 Cb 0.27 -1.76 0.08 0.00 -0.57 0.00 0.00 43.02 41.04 1ug7 s PHE 62 CO 0.02 0.14 1.09 -0.08 -0.10 0.00 0.00 175.22 176.28 1ug7 s THR 63 N -0.39 3.07 0.18 0.64 -1.32 -1.26 -4.35 115.64 112.22 1ug7 s THR 63 Ca 0.05 0.35 -0.23 0.00 -1.21 0.00 0.00 61.69 60.65 1ug7 s THR 63 Cb -0.12 -2.96 0.09 0.00 -1.51 0.00 0.00 72.50 67.99 1ug7 s THR 63 CO 0.02 -0.45 1.57 -0.33 -2.21 0.00 0.00 174.62 173.22 1ug7 h GLU 64 N -1.22 -0.17 -0.14 7.08 4.39 -1.99 1.64 114.58 124.17 1ug7 h GLU 64 Ca -0.47 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.28 1ug7 h GLU 64 Cb 1.26 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1ug7 h GLU 64 CO 0.56 -0.11 0.15 1.05 -1.16 0.00 0.00 179.01 179.50 1ug7 h GLU 65 N -0.18 0.00 0.00 2.33 4.11 -1.92 0.19 114.58 119.11 1ug7 h GLU 65 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1ug7 h GLU 65 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ug7 h GLU 65 CO -0.72 0.00 -0.04 1.96 0.07 0.00 0.00 179.01 180.29 1ug7 h GLN 66 N 0.00 0.00 -0.84 1.06 4.20 0.16 -3.23 115.11 116.45 1ug7 h GLN 66 Ca 0.07 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.02 1ug7 h GLN 66 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1ug7 h GLN 66 CO -0.00 0.00 0.78 1.57 -0.67 0.00 0.00 178.83 180.51 1ug7 h LYS 67 N -0.37 0.00 0.11 1.46 2.10 0.12 -0.89 116.57 119.11 1ug7 h LYS 67 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1ug7 h LYS 67 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1ug7 h LYS 67 CO 0.00 0.00 -0.06 0.87 -2.00 0.00 0.00 179.45 178.26 1ug7 h LYS 68 N 0.00 -0.15 -0.81 0.07 1.79 -0.74 -2.21 116.57 114.52 1ug7 h LYS 68 Ca 0.40 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.99 1ug7 h LYS 68 Cb 1.97 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 32.52 1ug7 h LYS 68 CO -0.00 -0.10 -0.45 1.15 -1.08 0.00 0.00 179.45 178.96 1ug7 h THR 69 N -0.16 0.04 -0.96 -0.16 2.02 -1.19 0.52 112.91 113.02 1ug7 h THR 69 Ca -0.02 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.36 1ug7 h THR 69 Cb 0.12 0.04 -0.18 0.00 -1.74 0.00 0.00 68.15 66.39 1ug7 h THR 69 CO 0.03 0.00 -0.24 0.40 0.37 0.00 0.00 175.52 176.08 1ug7 h ILE 70 N -0.10 0.04 -0.62 3.11 2.04 -1.46 1.87 117.51 122.40 1ug7 h ILE 70 Ca 0.23 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 1ug7 h ILE 70 Cb 0.54 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1ug7 h ILE 70 CO -0.84 0.00 0.17 1.23 0.00 0.00 0.00 178.15 178.71 1ug7 h GLY 71 N -0.00 1.02 0.96 5.37 0.00 0.58 -2.23 103.07 108.78 1ug7 h GLY 71 Ca 0.46 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1ug7 h GLY 71 CO -0.99 0.55 -0.20 0.50 0.00 0.00 0.00 176.54 176.40 1ug7 h LYS 72 N 0.91 0.71 -0.12 4.80 1.57 0.41 -2.89 116.57 121.97 1ug7 h LYS 72 Ca 0.20 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ug7 h LYS 72 Cb 0.29 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 1ug7 h LYS 72 CO -0.00 0.94 -0.31 0.82 -0.57 0.00 0.00 179.45 180.32 1ug7 h ILE 73 N 0.48 0.30 -0.28 1.86 2.04 0.25 -2.12 117.51 120.04 1ug7 h ILE 73 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1ug7 h ILE 73 Cb 0.75 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 1ug7 h ILE 73 CO 0.06 0.00 -0.54 0.00 0.00 0.00 0.00 178.15 177.66 1ug7 h ALA 74 N 0.43 -0.83 -0.88 1.87 0.00 -1.37 -0.35 119.26 118.13 1ug7 h ALA 74 Ca 0.09 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1ug7 h ALA 74 Cb 0.54 1.07 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 1ug7 h ALA 74 CO -0.34 -1.06 -0.34 2.41 0.00 0.00 0.00 179.25 179.92 1ug7 n THR 75 N -5.34 -0.46 -0.09 0.00 -1.04 -0.85 0.17 114.28 106.67 1ug7 n THR 75 Ca -0.05 2.06 -0.06 0.00 -2.04 0.00 0.00 64.05 63.96 1ug7 n THR 75 Cb 0.35 -2.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.14 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 -0.12 -1.75 -1.85 0.00 3.38 0.28 0.83 115.31 116.08 1ug7 h LEU 77 Ca 0.17 0.24 0.51 0.00 0.09 0.00 0.00 57.88 58.89 1ug7 h LEU 77 Cb 0.38 0.73 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1ug7 h LEU 77 CO -0.41 -0.40 1.20 -0.33 0.09 0.00 0.00 178.44 178.59 1ug7 h GLU 78 N -0.38 0.02 -0.02 1.13 5.08 -0.10 1.51 114.58 121.81 1ug7 h GLU 78 Ca 0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1ug7 h GLU 78 Cb 0.60 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ug7 h GLU 78 CO -0.59 0.01 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.27 1ug7 h LEU 79 N 0.02 0.11 0.41 1.33 3.38 0.98 -2.71 115.31 118.83 1ug7 h LEU 79 Ca 0.86 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ug7 h LEU 79 Cb 3.28 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 44.00 1ug7 h LEU 79 CO -0.12 0.75 -0.20 -0.09 0.09 0.00 0.00 178.44 178.88 1ug7 h ARG 80 N -0.52 -0.54 -0.93 1.13 9.65 0.30 0.43 114.38 123.90 1ug7 h ARG 80 Ca -0.01 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.03 1ug7 h ARG 80 Cb 0.75 0.12 -0.14 0.00 -1.39 0.00 0.00 29.97 29.31 1ug7 h ARG 80 CO 0.02 -0.36 -0.43 0.43 2.80 0.00 0.00 179.97 182.43 1ug7 n SER 81 N -3.60 -0.75 0.17 -3.80 7.64 0.57 0.28 113.62 114.13 1ug7 n SER 81 Ca -0.07 1.64 -0.14 0.00 1.01 0.00 0.00 58.87 61.31 1ug7 n SER 81 Cb 0.22 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.04 1ug7 n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ug7 h ALA 82 N 0.98 -0.44 -1.09 -0.43 0.00 -1.46 -1.26 119.26 115.57 1ug7 h ALA 82 Ca 0.26 -0.07 0.40 0.00 0.00 0.00 0.00 54.91 55.50 1ug7 h ALA 82 Cb 0.49 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 1ug7 h ALA 82 CO -0.91 -0.77 0.63 0.00 0.00 0.00 0.00 179.25 178.21 1ug7 h ALA 83 N 0.25 2.26 0.26 0.00 0.00 0.44 0.94 119.26 123.41 1ug7 h ALA 83 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ug7 h ALA 83 Cb 0.41 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ug7 h ALA 83 CO -0.01 -0.97 -0.12 -0.07 0.00 0.00 0.00 179.25 178.08 1ug7 h LEU 84 N 0.11 -0.29 0.25 0.00 3.38 0.37 -3.27 115.31 115.86 1ug7 h LEU 84 Ca 0.81 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.59 1ug7 h LEU 84 Cb 2.19 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.98 1ug7 h LEU 84 CO -0.64 0.07 -0.40 1.56 0.09 0.00 0.00 178.44 179.12 1ug7 h GLN 85 N -0.69 -0.70 -6.62 1.13 4.20 0.14 -3.42 115.11 109.15 1ug7 h GLN 85 Ca -0.04 0.05 -0.49 0.00 0.06 0.00 0.00 58.65 58.24 1ug7 h GLN 85 Cb 0.48 0.16 0.23 0.00 0.30 0.00 0.00 27.48 28.65 1ug7 h GLN 85 CO 0.06 -0.46 -1.12 0.43 -0.67 0.00 0.00 178.83 177.07 1ug7 n SER 86 N -5.48 -2.53 0.00 1.46 7.64 0.16 -4.99 113.62 109.88 1ug7 n SER 86 Ca -0.09 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ug7 n SER 86 Cb 0.38 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1ug7 n SER 86 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ug7 n THR 87 N -4.02 0.00 -1.64 0.44 -1.04 -1.26 -4.92 114.28 101.84 1ug7 n THR 87 Ca 0.02 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.49 1ug7 n THR 87 Cb 0.61 -0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.75 1.24 -3.23 -2.82 0.00 -1.26 -3.07 117.38 107.49 1ug7 n GLN 88 Ca 0.00 0.45 -0.15 0.00 -0.00 0.00 0.00 57.00 57.30 1ug7 n GLN 88 Cb 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 30.24 28.13 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ug7 n SER 89 N 3.74 -5.91 -4.09 1.69 7.64 -1.26 -4.97 113.62 110.46 1ug7 n SER 89 Ca 0.21 0.17 -0.26 0.00 1.01 0.00 0.00 58.87 60.01 1ug7 n SER 89 Cb 0.18 -1.52 -0.16 0.00 -1.01 0.00 0.00 64.21 61.69 1ug7 n SER 89 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ug7 s GLN 90 N -1.52 1.79 0.00 1.43 -0.44 -1.17 -5.02 119.66 114.72 1ug7 s GLN 90 Ca 0.15 -0.53 0.00 0.00 -2.50 0.00 0.00 55.36 52.48 1ug7 s GLN 90 Cb -0.02 -1.50 0.00 0.00 -1.64 0.00 0.00 33.01 29.85 1ug7 s GLN 90 CO 0.34 0.15 0.00 -1.91 0.50 0.00 0.00 175.29 174.36 1ug7 n GLU 91 N 3.44 0.00 -0.00 1.67 2.13 -1.26 -5.01 120.64 121.61 1ug7 n GLU 91 Ca -0.20 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.69 1ug7 n GLU 91 Cb 0.53 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.15 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 0.00 1.97 0.00 5.31 1.02 -1.26 -4.91 120.64 122.77 1ug7 n GLU 92 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ug7 n GLU 92 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ug7 n PHE 93 N -1.38 0.00 -0.02 -0.32 7.35 -1.26 -4.81 117.46 117.01 1ug7 n PHE 93 Ca 0.03 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.70 1ug7 n PHE 93 Cb 0.24 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.09 1ug7 n PHE 93 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ug7 n LYS 94 N 0.00 -1.38 -0.06 -4.13 2.85 -1.26 -4.45 118.16 109.72 1ug7 n LYS 94 Ca 0.00 -0.09 -0.04 0.00 -1.05 0.00 0.00 58.31 57.13 1ug7 n LYS 94 Cb 0.00 -0.13 -0.03 0.00 -0.65 0.00 0.00 35.03 34.22 1ug7 n LYS 94 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1ug7 h LEU 95 N 0.00 0.00 -0.92 -5.58 5.85 -2.00 -3.23 115.31 109.43 1ug7 h LEU 95 Ca -0.02 -0.20 0.25 0.00 0.84 0.00 0.00 57.88 58.75 1ug7 h LEU 95 Cb 0.08 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.97 1ug7 h LEU 95 CO 0.01 0.68 0.38 1.05 -0.34 0.00 0.00 178.44 180.22 1ug7 h GLU 96 N -1.00 0.30 -0.29 1.25 4.11 -1.97 1.76 114.58 118.74 1ug7 h GLU 96 Ca -0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ug7 h GLU 96 Cb 0.33 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1ug7 h GLU 96 CO -0.01 0.20 0.20 -0.44 0.07 0.00 0.00 179.01 179.03 1ug7 h ASP 97 N 0.31 0.27 -0.00 3.06 5.19 -1.92 0.33 116.42 123.66 1ug7 h ASP 97 Ca 0.60 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.91 1ug7 h ASP 97 Cb 1.23 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.68 1ug7 h ASP 97 CO -0.60 0.19 -0.36 0.25 -3.12 0.00 0.00 179.24 175.61 1ug7 h LEU 98 N 0.32 0.32 -0.31 1.55 5.85 0.25 -3.01 115.31 120.28 1ug7 h LEU 98 Ca 0.12 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1ug7 h LEU 98 Cb 0.08 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1ug7 h LEU 98 CO -0.03 1.05 0.00 0.29 -0.34 0.00 0.00 178.44 179.41 1ug7 n LYS 99 N -4.42 0.06 0.00 1.25 4.01 0.56 -1.16 118.16 118.47 1ug7 n LYS 99 Ca -0.10 0.39 0.09 0.00 -0.51 0.00 0.00 58.31 58.18 1ug7 n LYS 99 Cb 0.56 -1.63 0.43 0.00 -0.51 0.00 0.00 35.03 33.88 1ug7 n LYS 99 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ug7 n LYS 100 N -1.75 0.15 -0.00 1.97 5.02 0.11 -1.45 118.16 122.21 1ug7 n LYS 100 Ca 0.02 0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 1ug7 n LYS 100 Cb 0.13 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.38 0.66 -0.10 -0.35 4.77 -0.31 -4.09 117.00 116.21 1ug7 n LEU 101 Ca 0.07 -0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1ug7 n LEU 101 Cb 0.17 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1ug7 n LEU 101 CO 0.15 0.16 0.84 -0.08 -1.33 0.00 0.00 177.39 177.14 1ug7 h GLU 102 N 0.00 0.07 -0.00 3.23 4.81 -1.36 0.16 114.58 121.49 1ug7 h GLU 102 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ug7 h GLU 102 Cb 0.63 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1ug7 h GLU 102 CO 0.00 0.05 -0.07 -1.00 -0.73 0.00 0.00 179.01 177.26 1ug7 h PRO 103 N 0.08 0.05 -0.79 0.92 0.13 -1.77 -2.88 132.00 127.74 1ug7 h PRO 103 Ca 0.17 -0.05 0.14 0.00 -0.87 0.00 0.00 66.00 65.39 1ug7 h PRO 103 Cb 0.23 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.23 1ug7 h PRO 103 CO -0.29 0.79 -0.29 0.82 -0.23 0.00 0.00 178.00 178.79 1ug7 h ILE 104 N -0.67 0.13 -0.63 -3.56 2.04 -1.67 2.31 117.51 115.46 1ug7 h ILE 104 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ug7 h ILE 104 Cb 0.81 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1ug7 h ILE 104 CO 0.01 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.51 1ug7 h LEU 105 N -0.05 0.73 0.09 1.44 3.38 -1.04 0.15 115.31 120.01 1ug7 h LEU 105 Ca 0.33 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ug7 h LEU 105 Cb 0.59 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ug7 h LEU 105 CO -0.83 0.54 -0.05 0.11 0.09 0.00 0.00 178.44 178.30 1ug7 h LYS 106 N 0.86 -0.12 -1.29 1.13 1.79 0.23 -2.98 116.57 116.19 1ug7 h LYS 106 Ca 0.23 0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.48 1ug7 h LYS 106 Cb -0.09 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 30.47 1ug7 h LYS 106 CO -0.05 0.31 0.29 0.09 -1.08 0.00 0.00 179.45 179.02 1ug7 n ASN 107 N -4.93 4.67 0.32 0.86 3.02 0.66 -4.30 115.26 115.56 1ug7 n ASN 107 Ca -0.09 -2.77 0.21 0.00 -0.03 0.00 0.00 54.58 51.90 1ug7 n ASN 107 Cb 0.25 -0.84 1.09 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.67 0.10 0.00 2.41 1.08 -0.56 0.85 117.51 122.07 1ug7 h ILE 108 Ca 0.24 -0.10 -0.28 0.00 -0.39 0.00 0.00 64.86 64.33 1ug7 h ILE 108 Cb 1.35 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 36.15 1ug7 h ILE 108 CO 0.51 0.01 -1.58 -0.07 -0.69 0.00 0.00 178.15 176.33 1ug7 h LEU 109 N 0.00 0.00 -3.77 1.44 3.38 -1.85 -3.36 115.31 111.16 1ug7 h LEU 109 Ca -0.00 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1ug7 h LEU 109 Cb 0.09 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.43 1ug7 h LEU 109 CO 0.00 1.00 -0.63 1.07 0.09 0.00 0.00 178.44 179.97 1ug7 n THR 110 N -3.10 2.65 -0.01 0.22 5.66 0.16 -4.60 114.28 115.27 1ug7 n THR 110 Ca -0.14 -4.06 0.11 0.00 -3.05 0.00 0.00 64.05 56.91 1ug7 n THR 110 Cb 1.03 -1.13 -0.17 0.00 -1.55 0.00 0.00 70.33 68.52 1ug7 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ug7 n TYR 111 N -0.74 0.00 0.00 1.09 9.36 0.27 -4.94 117.16 122.21 1ug7 n TYR 111 Ca 0.46 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1ug7 n TYR 111 Cb 0.93 -0.49 0.00 0.00 -0.63 0.00 0.00 39.34 39.15 1ug7 n TYR 111 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1ug7 n ASN 112 N -2.25 0.00 -0.84 2.98 3.02 -1.26 -4.70 115.26 112.21 1ug7 n ASN 112 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1ug7 n ASN 112 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ug7 n LYS 113 N 0.00 0.00 -1.35 3.52 5.02 -1.26 -4.82 118.16 119.27 1ug7 n LYS 113 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ug7 n LYS 113 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ug7 n GLU 114 N 0.00 0.00 -1.88 1.97 2.13 -1.26 -5.01 120.64 116.60 1ug7 n GLU 114 Ca 0.00 0.31 -0.41 0.00 0.66 0.00 0.00 57.16 57.72 1ug7 n GLU 114 Cb 0.00 -1.35 -0.00 0.00 0.27 0.00 0.00 31.44 30.35 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1ug7 s PHE 115 N -2.90 2.67 -0.04 4.31 2.19 -1.26 -4.94 117.98 118.00 1ug7 s PHE 115 Ca 0.00 1.24 -0.24 0.00 0.33 0.00 0.00 56.93 58.27 1ug7 s PHE 115 Cb 0.00 -3.92 -0.22 0.00 -1.31 0.00 0.00 43.02 37.56 1ug7 s PHE 115 CO 0.00 -2.72 1.07 -1.00 1.83 0.00 0.00 175.22 174.40 1ug7 h PRO 116 N 2.95 0.21 -6.43 10.12 0.13 -2.00 -3.45 132.00 133.53 1ug7 h PRO 116 Ca -0.50 -0.20 -0.54 0.00 -0.87 0.00 0.00 66.00 63.88 1ug7 h PRO 116 Cb 1.24 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1ug7 h PRO 116 CO 0.64 0.91 0.10 -0.06 -0.23 0.00 0.00 178.00 179.35 1ug7 s PHE 117 N -3.29 3.84 -1.26 1.56 0.08 -1.26 -4.97 117.98 112.68 1ug7 s PHE 117 Ca -0.15 1.48 -0.20 0.00 0.12 0.00 0.00 56.93 58.18 1ug7 s PHE 117 Cb 0.02 -2.65 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1ug7 s PHE 117 CO 0.75 0.52 1.81 -0.25 -0.10 0.00 0.00 175.22 177.94 1ug7 n ASP 118 N 1.51 4.29 -3.90 1.36 8.00 -1.26 -4.87 116.55 121.68 1ug7 n ASP 118 Ca -0.07 -2.84 -0.26 0.00 0.71 0.00 0.00 54.79 52.33 1ug7 n ASP 118 Cb 0.50 -1.75 -0.17 0.00 -0.02 0.00 0.00 41.12 39.68 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 6.60 0.96 0.64 2.53 -7.23 -1.26 -5.06 120.40 117.58 1ug7 s VAL 119 Ca 0.59 -0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 1ug7 s VAL 119 Cb 0.02 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 1ug7 s VAL 119 CO 0.10 0.35 1.05 0.00 -0.31 0.00 0.00 175.10 176.29 1ug7 s GLN 120 N 1.63 3.25 0.22 4.82 -2.07 -1.26 -4.69 119.66 121.56 1ug7 s GLN 120 Ca 0.03 0.99 -0.30 0.00 -1.82 0.00 0.00 55.36 54.26 1ug7 s GLN 120 Cb -0.13 -2.03 -0.09 0.00 -1.09 0.00 0.00 33.01 29.68 1ug7 s GLN 120 CO -0.07 -0.85 1.10 -1.25 -1.32 0.00 0.00 175.29 172.90 1ug7 s PRO 121 N -4.71 4.62 -0.07 9.60 0.04 -1.26 -4.13 135.00 139.08 1ug7 s PRO 121 Ca 0.59 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 1ug7 s PRO 121 Cb -0.14 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1ug7 s PRO 121 CO 0.48 0.14 0.85 0.42 0.04 0.00 0.00 177.00 178.92 1ug7 s ILE 122 N -0.65 4.93 -0.10 0.56 1.01 -1.20 -4.89 121.20 120.85 1ug7 s ILE 122 Ca 0.47 1.73 -0.00 0.00 0.00 0.00 0.00 60.65 62.85 1ug7 s ILE 122 Cb -0.31 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.01 1ug7 s ILE 122 CO 0.37 0.15 -0.07 -0.44 0.00 0.00 0.00 174.94 174.96 1ug7 s SER 123 N 0.97 2.07 0.00 3.58 0.01 -1.26 -4.41 113.70 114.66 1ug7 s SER 123 Ca 0.43 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1ug7 s SER 123 Cb -0.19 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1ug7 s SER 123 CO 0.20 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1ug7 n GLY 124 N 4.92 -0.67 3.58 3.44 0.00 -1.26 -4.93 105.19 110.28 1ug7 n GLY 124 Ca -0.12 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 3.36 -0.02 1.61 0.04 -1.26 -4.99 135.00 133.74 1ug7 s PRO 125 Ca 0.00 0.68 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 1ug7 s PRO 125 Cb 0.00 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1ug7 s PRO 125 CO 0.00 -1.85 0.70 -1.12 0.04 0.00 0.00 177.00 174.76 1ug7 s SER 126 N 4.55 7.05 0.26 6.66 0.01 -1.26 -5.01 113.70 125.97 1ug7 s SER 126 Ca 0.58 1.26 -0.31 0.00 1.31 0.00 0.00 55.95 58.79 1ug7 s SER 126 Cb -0.12 -2.42 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 1ug7 s SER 126 CO 0.28 -0.02 1.61 -0.44 0.41 0.00 0.00 173.24 175.07 1ug7 s SER 127 N 0.30 6.41 0.00 2.44 0.01 -1.26 -5.30 113.70 116.30 1ug7 s SER 127 Ca 0.36 2.88 0.09 0.00 1.31 0.00 0.00 55.95 60.60 1ug7 s SER 127 Cb -0.19 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.49 1ug7 s SER 127 CO 0.19 -0.90 0.79 0.61 0.41 0.00 0.00 173.24 174.34