#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 5.31 -1.02 1.61 1.04 -1.26 -5.05 113.70 114.34 1ug7 s SER 2 Ca 0.00 0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1ug7 s SER 2 Cb 0.00 -1.51 0.15 0.00 0.10 0.00 0.00 66.02 64.76 1ug7 s SER 2 CO 0.00 0.38 1.21 -0.55 0.98 0.00 0.00 173.24 175.26 1ug7 s SER 3 N -0.90 6.79 0.00 7.02 0.15 -1.26 -4.87 113.70 120.63 1ug7 s SER 3 Ca 0.13 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.37 1ug7 s SER 3 Cb -0.11 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1ug7 s SER 3 CO 0.02 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1ug7 n GLY 4 N 4.91 5.52 2.82 9.45 0.00 -1.26 -5.08 105.19 121.55 1ug7 n GLY 4 Ca 0.27 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1ug7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug7 n SER 5 N 0.00 -5.58 -4.72 1.61 2.88 -1.26 -5.01 113.62 101.55 1ug7 n SER 5 Ca 0.00 1.17 -0.28 0.00 -1.33 0.00 0.00 58.87 58.43 1ug7 n SER 5 Cb 0.00 -4.16 -0.07 0.00 -0.75 0.00 0.00 64.21 59.23 1ug7 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ug7 s SER 6 N -1.05 5.12 0.00 -3.46 1.04 -1.26 -5.11 113.70 108.98 1ug7 s SER 6 Ca -0.08 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1ug7 s SER 6 Cb 0.01 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.90 1ug7 s SER 6 CO 0.55 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.49 1ug7 n GLY 7 N 0.01 5.14 2.58 7.32 0.00 -1.26 -4.99 105.19 113.99 1ug7 n GLY 7 Ca -0.09 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1ug7 n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ug7 n MET 8 N 0.00 3.07 -0.41 1.61 3.85 -1.26 -4.91 117.12 119.07 1ug7 n MET 8 Ca 0.00 -2.33 0.06 0.00 -1.00 0.00 0.00 57.70 54.42 1ug7 n MET 8 Cb 0.00 -3.03 -0.01 0.00 -1.05 0.00 0.00 33.22 29.13 1ug7 n MET 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1ug7 n SER 9 N 5.08 -3.92 -0.07 3.17 7.64 -1.26 -2.79 113.62 121.47 1ug7 n SER 9 Ca 0.62 0.44 -0.09 0.00 1.01 0.00 0.00 58.87 60.85 1ug7 n SER 9 Cb 0.31 -1.36 -0.08 0.00 -1.01 0.00 0.00 64.21 62.07 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 -1.82 0.95 -0.04 1.43 0.00 -1.26 -3.99 120.64 115.92 1ug7 n GLU 10 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 57.16 57.09 1ug7 n GLU 10 Cb 0.19 -1.33 -0.08 0.00 0.00 0.00 0.00 31.44 30.22 1ug7 n GLU 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ug7 h VAL 11 N 0.00 1.34 -0.03 3.84 2.07 -1.99 -1.25 116.25 120.23 1ug7 h VAL 11 Ca -0.36 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1ug7 h VAL 11 Cb 1.64 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1ug7 h VAL 11 CO -0.03 0.32 0.02 0.74 0.02 0.00 0.00 177.57 178.64 1ug7 h THR 12 N -0.16 1.04 -0.42 2.57 2.02 -1.81 -1.26 112.91 114.88 1ug7 h THR 12 Ca 0.02 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.16 1ug7 h THR 12 Cb 0.54 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1ug7 h THR 12 CO 0.02 0.03 0.09 -0.09 0.37 0.00 0.00 175.52 175.94 1ug7 h ARG 13 N -0.00 0.22 -0.17 6.66 2.43 -1.53 0.12 114.38 122.10 1ug7 h ARG 13 Ca 0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ug7 h ARG 13 Cb 0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ug7 h ARG 13 CO -0.00 0.15 0.12 1.03 -1.51 0.00 0.00 179.97 179.75 1ug7 h SER 14 N 0.23 0.10 0.24 -3.80 0.87 -0.95 -1.80 113.55 108.43 1ug7 h SER 14 Ca 0.21 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1ug7 h SER 14 Cb 0.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1ug7 h SER 14 CO -0.26 0.07 -0.12 -0.07 -0.53 0.00 0.00 176.83 175.92 1ug7 h LEU 15 N 0.11 -0.27 -1.80 2.23 3.38 0.41 1.26 115.31 120.63 1ug7 h LEU 15 Ca 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ug7 h LEU 15 Cb 0.16 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ug7 h LEU 15 CO -0.01 0.01 0.02 -0.07 0.09 0.00 0.00 178.44 178.49 1ug7 h LEU 16 N -0.57 0.00 0.00 1.67 3.38 -0.56 0.36 115.31 119.58 1ug7 h LEU 16 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1ug7 h LEU 16 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ug7 h LEU 16 CO 0.05 0.00 -1.00 1.67 0.09 0.00 0.00 178.44 179.25 1ug7 n GLN 17 N -2.46 0.51 -0.09 1.13 7.27 -0.72 -3.39 117.38 119.63 1ug7 n GLN 17 Ca -0.02 0.46 0.10 0.00 0.07 0.00 0.00 57.00 57.61 1ug7 n GLN 17 Cb 0.06 -1.64 0.47 0.00 2.41 0.00 0.00 30.24 31.54 1ug7 n GLN 17 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 1ug7 h ARG 18 N -1.00 0.47 0.56 3.69 -0.00 0.20 0.14 114.38 118.44 1ug7 h ARG 18 Ca -0.16 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 59.76 1ug7 h ARG 18 Cb 0.91 -0.11 0.01 0.00 -0.00 0.00 0.00 29.97 30.78 1ug7 h ARG 18 CO -0.10 0.31 -0.27 -1.49 -0.00 0.00 0.00 179.97 178.42 1ug7 h TRP 19 N 0.48 -0.70 -0.97 4.08 6.55 -0.49 -2.58 115.95 122.32 1ug7 h TRP 19 Ca 0.27 -0.02 0.26 0.00 0.95 0.00 0.00 58.89 60.35 1ug7 h TRP 19 Cb 0.42 0.23 -0.06 0.00 -0.86 0.00 0.00 29.16 28.89 1ug7 h TRP 19 CO -0.00 -0.43 0.66 0.78 -1.05 0.00 0.00 178.44 178.40 1ug7 h GLY 20 N -0.94 0.59 0.69 1.49 0.00 -1.46 0.23 103.07 103.67 1ug7 h GLY 20 Ca -0.08 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ug7 h GLY 20 CO 0.13 -0.04 -0.23 0.00 0.00 0.00 0.00 176.54 176.40 1ug7 h ALA 21 N 1.57 -0.45 -0.06 3.60 0.00 -0.53 -0.68 119.26 122.71 1ug7 h ALA 21 Ca 0.50 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1ug7 h ALA 21 Cb 1.57 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 1ug7 h ALA 21 CO -0.13 -0.79 -0.21 0.77 0.00 0.00 0.00 179.25 178.89 1ug7 h SER 22 N -0.47 -0.68 -0.92 0.00 0.02 -0.55 -1.23 113.55 109.72 1ug7 h SER 22 Ca 0.01 0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.18 1ug7 h SER 22 Cb 0.46 0.27 -0.15 0.00 0.14 0.00 0.00 62.40 63.11 1ug7 h SER 22 CO -0.08 -0.19 -0.38 0.25 -1.14 0.00 0.00 176.83 175.29 1ug7 h LEU 23 N -0.22 -1.40 -0.60 5.07 5.85 -1.42 0.38 115.31 122.97 1ug7 h LEU 23 Ca 0.01 0.30 0.06 0.00 0.84 0.00 0.00 57.88 59.09 1ug7 h LEU 23 Cb 0.27 0.73 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 1ug7 h LEU 23 CO -0.18 -0.29 -0.47 0.03 -0.34 0.00 0.00 178.44 177.20 1ug7 h ARG 24 N -0.03 -0.14 -0.04 1.25 3.08 -0.15 -0.37 114.38 117.99 1ug7 h ARG 24 Ca 0.32 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.41 1ug7 h ARG 24 Cb 0.59 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1ug7 h ARG 24 CO -0.93 -0.09 -0.14 -0.09 -1.07 0.00 0.00 179.97 177.66 1ug7 h ARG 25 N -0.14 -0.20 -1.75 0.04 2.43 0.31 -0.86 114.38 114.20 1ug7 h ARG 25 Ca 0.10 0.01 0.51 0.00 -0.81 0.00 0.00 59.98 59.79 1ug7 h ARG 25 Cb 0.40 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1ug7 h ARG 25 CO -0.64 -0.13 1.36 0.41 -1.51 0.00 0.00 179.97 179.46 1ug7 n GLY 26 N -1.27 -0.92 0.09 2.80 0.00 0.11 0.18 105.19 106.18 1ug7 n GLY 26 Ca -0.05 0.61 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 0.87 0.08 -1.01 4.61 0.00 -0.30 -3.06 119.26 120.46 1ug7 h ALA 27 Ca 0.83 -0.76 0.29 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 27 Cb 3.53 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 21.44 1ug7 h ALA 27 CO -0.01 0.31 0.59 0.38 0.00 0.00 0.00 179.25 180.51 1ug7 h ASP 28 N -0.86 0.58 0.47 0.00 3.04 0.24 0.46 116.42 120.35 1ug7 h ASP 28 Ca -0.14 0.17 -0.02 0.00 -3.24 0.00 0.00 57.03 53.80 1ug7 h ASP 28 Cb 1.23 0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 1ug7 h ASP 28 CO -0.03 -0.03 -0.22 -0.26 -2.04 0.00 0.00 179.24 176.65 1ug7 h PHE 29 N 0.43 -0.58 -0.40 4.15 0.04 -1.23 -2.70 116.94 116.64 1ug7 h PHE 29 Ca 0.70 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.52 1ug7 h PHE 29 Cb 1.50 0.19 -0.09 0.00 2.20 0.00 0.00 35.95 39.75 1ug7 h PHE 29 CO -0.01 -0.36 -0.41 0.22 -0.60 0.00 0.00 178.31 177.15 1ug7 h ASP 30 N -0.87 -1.38 -0.99 2.17 3.58 -1.15 1.61 116.42 119.39 1ug7 h ASP 30 Ca -0.06 0.21 0.11 0.00 0.42 0.00 0.00 57.03 57.71 1ug7 h ASP 30 Cb 0.48 0.61 -0.13 0.00 1.72 0.00 0.00 39.33 42.01 1ug7 h ASP 30 CO 0.11 -0.36 -0.53 -1.20 -2.88 0.00 0.00 179.24 174.38 1ug7 n SER 31 N -5.42 -0.93 0.00 2.28 7.64 0.15 0.03 113.62 117.38 1ug7 n SER 31 Ca -0.00 1.76 -0.12 0.00 1.01 0.00 0.00 58.87 61.51 1ug7 n SER 31 Cb 0.35 -0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 1ug7 n SER 31 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1ug7 h TRP 32 N 0.00 0.06 0.00 1.43 6.55 -0.82 -3.47 115.95 119.70 1ug7 h TRP 32 Ca 0.22 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.05 1ug7 h TRP 32 Cb 0.46 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1ug7 h TRP 32 CO -0.98 0.26 0.00 0.41 -1.05 0.00 0.00 178.44 177.08 1ug7 n GLY 33 N -0.51 0.40 2.74 1.49 0.00 0.50 -5.09 105.19 104.72 1ug7 n GLY 33 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 3.16 0.08 1.61 1.13 0.15 -4.86 117.38 118.65 1ug7 n GLN 34 Ca 0.00 -4.60 -0.13 0.00 -1.94 0.00 0.00 57.00 50.33 1ug7 n GLN 34 Cb 0.00 -2.37 -0.08 0.00 0.11 0.00 0.00 30.24 27.90 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 4.93 -0.12 -0.07 1.08 3.38 -1.90 0.66 115.31 123.27 1ug7 h LEU 35 Ca 0.19 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ug7 h LEU 35 Cb 0.67 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1ug7 h LEU 35 CO 1.00 0.02 -0.19 0.58 0.09 0.00 0.00 178.44 179.94 1ug7 h VAL 36 N -0.26 0.00 -0.76 1.22 2.07 -1.99 1.49 116.25 118.02 1ug7 h VAL 36 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1ug7 h VAL 36 Cb 0.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 1ug7 h VAL 36 CO 0.02 0.00 0.42 -0.33 0.02 0.00 0.00 177.57 177.70 1ug7 h GLU 37 N -0.18 0.70 0.34 1.57 3.07 -1.96 -1.65 114.58 116.47 1ug7 h GLU 37 Ca 0.02 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1ug7 h GLU 37 Cb 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1ug7 h GLU 37 CO -0.17 0.46 -0.42 0.00 -1.40 0.00 0.00 179.01 177.48 1ug7 h ALA 38 N 1.43 -0.88 -0.48 3.43 0.00 0.15 -0.26 119.26 122.65 1ug7 h ALA 38 Ca 0.37 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1ug7 h ALA 38 Cb 0.33 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1ug7 h ALA 38 CO -0.24 -1.04 -0.47 0.82 0.00 0.00 0.00 179.25 178.31 1ug7 h ILE 39 N -0.81 0.07 -0.57 0.00 2.04 0.26 0.10 117.51 118.60 1ug7 h ILE 39 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1ug7 h ILE 39 Cb 0.74 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 1ug7 h ILE 39 CO -0.11 0.00 -0.40 -0.78 0.00 0.00 0.00 178.15 176.86 1ug7 h ASP 40 N -0.31 -1.38 -0.04 1.72 3.58 -0.93 0.59 116.42 119.66 1ug7 h ASP 40 Ca 0.14 0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.83 1ug7 h ASP 40 Cb 0.58 0.64 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 1ug7 h ASP 40 CO -0.63 -0.33 -0.21 -0.08 -2.88 0.00 0.00 179.24 175.11 1ug7 h GLU 41 N -0.21 -0.23 -0.32 0.28 4.57 0.86 0.44 114.58 119.98 1ug7 h GLU 41 Ca 0.19 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1ug7 h GLU 41 Cb 0.56 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.13 1ug7 h GLU 41 CO -0.68 -0.15 -0.51 1.88 -1.18 0.00 0.00 179.01 178.37 1ug7 h TYR 42 N -0.24 -1.52 -0.09 0.92 0.05 -0.12 0.11 116.97 116.08 1ug7 h TYR 42 Ca 0.01 0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1ug7 h TYR 42 Cb 0.27 0.71 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 1ug7 h TYR 42 CO -0.47 -0.49 -0.20 1.96 -1.05 0.00 0.00 178.16 177.90 1ug7 h GLN 43 N -0.44 -0.18 -0.64 4.88 4.20 0.47 0.72 115.11 124.13 1ug7 h GLN 43 Ca 0.08 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1ug7 h GLN 43 Cb 0.62 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.36 1ug7 h GLN 43 CO -0.54 -0.12 -0.43 0.82 -0.67 0.00 0.00 178.83 177.89 1ug7 h ILE 44 N -0.19 0.00 -1.03 2.54 5.03 0.26 1.57 117.51 125.69 1ug7 h ILE 44 Ca 0.02 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 65.02 1ug7 h ILE 44 Cb 0.24 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.93 1ug7 h ILE 44 CO -0.19 0.00 0.66 0.25 -0.68 0.00 0.00 178.15 178.19 1ug7 h LEU 45 N -0.07 0.48 0.26 1.44 5.85 -0.27 0.23 115.31 123.24 1ug7 h LEU 45 Ca 0.10 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ug7 h LEU 45 Cb 0.33 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1ug7 h LEU 45 CO -0.64 0.10 -0.13 0.00 -0.34 0.00 0.00 178.44 177.43 1ug7 h ALA 46 N 1.63 -0.36 -0.45 1.25 0.00 0.85 -1.25 119.26 120.94 1ug7 h ALA 46 Ca 0.60 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.49 1ug7 h ALA 46 Cb 1.44 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 1ug7 h ALA 46 CO -0.32 -0.67 -0.05 0.00 0.00 0.00 0.00 179.25 178.21 1ug7 h ARG 47 N -0.42 0.05 0.12 0.00 3.08 0.28 -1.88 114.38 115.61 1ug7 h ARG 47 Ca -0.04 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ug7 h ARG 47 Cb 0.32 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1ug7 h ARG 47 CO 0.06 0.03 -0.42 0.45 -1.07 0.00 0.00 179.97 179.02 1ug7 h HIS 48 N 0.05 -1.18 -0.99 3.04 3.86 -0.97 -0.81 115.15 118.16 1ug7 h HIS 48 Ca 0.22 0.03 0.26 0.00 -1.16 0.00 0.00 60.37 59.72 1ug7 h HIS 48 Cb 0.34 0.50 -0.18 0.00 1.06 0.00 0.00 27.41 29.12 1ug7 h HIS 48 CO -0.34 -0.52 -0.03 -0.07 0.86 0.00 0.00 177.93 177.83 1ug7 h LEU 49 N -0.65 -0.58 -0.07 2.43 3.38 -0.45 0.91 115.31 120.27 1ug7 h LEU 49 Ca 0.02 0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.30 1ug7 h LEU 49 Cb 0.68 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ug7 h LEU 49 CO -0.24 -0.35 -0.07 1.56 0.09 0.00 0.00 178.44 179.43 1ug7 h GLN 50 N 0.01 -0.09 -1.94 1.13 4.20 -0.58 0.33 115.11 118.17 1ug7 h GLN 50 Ca 0.57 0.01 0.57 0.00 0.06 0.00 0.00 58.65 59.86 1ug7 h GLN 50 Cb 1.12 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.84 1ug7 h GLN 50 CO -0.94 -0.06 1.39 -0.22 -0.67 0.00 0.00 178.83 178.33 1ug7 h LYS 51 N -0.09 0.00 0.03 1.46 1.63 0.18 1.85 116.57 121.63 1ug7 h LYS 51 Ca 0.05 -0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.49 1ug7 h LYS 51 Cb 0.17 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1ug7 h LYS 51 CO -0.13 0.00 -2.23 0.39 -3.45 0.00 0.00 179.45 174.03 1ug7 n GLU 52 N -3.99 0.68 0.18 1.90 -0.58 -0.24 -3.47 120.64 115.13 1ug7 n GLU 52 Ca 0.44 0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 57.27 1ug7 n GLU 52 Cb 1.99 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 31.22 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 0.38 -0.76 -0.05 0.62 0.00 0.61 -3.02 119.26 117.04 1ug7 h ALA 53 Ca -0.49 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1ug7 h ALA 53 Cb 2.03 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 1ug7 h ALA 53 CO 0.01 -0.73 0.14 -0.56 0.00 0.00 0.00 179.25 178.11 1ug7 h GLN 54 N -0.71 0.00 -4.45 0.00 3.07 0.93 -3.34 115.11 110.62 1ug7 h GLN 54 Ca -0.05 0.00 -0.73 0.00 0.09 0.00 0.00 58.65 57.96 1ug7 h GLN 54 Cb 0.38 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 27.72 1ug7 h GLN 54 CO 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 178.83 178.92 1ug7 s ALA 55 N -4.31 3.52 -0.07 0.06 0.00 -1.14 -4.92 121.76 114.90 1ug7 s ALA 55 Ca -0.04 -2.26 -0.02 0.00 0.00 0.00 0.00 51.96 49.63 1ug7 s ALA 55 Cb 0.13 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1ug7 s ALA 55 CO 0.43 -2.09 0.11 0.37 0.00 0.00 0.00 175.76 174.57 1ug7 h GLN 56 N 8.99 -0.08 0.00 0.00 4.15 -1.74 -3.43 115.11 123.00 1ug7 h GLN 56 Ca -0.29 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.07 1ug7 h GLN 56 Cb 1.10 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1ug7 h GLN 56 CO 1.03 -0.05 -1.02 1.58 -1.93 0.00 0.00 178.83 178.44 1ug7 n HIS 57 N -4.13 0.00 -1.36 3.99 -0.00 -1.26 -4.71 115.22 107.75 1ug7 n HIS 57 Ca -0.01 0.00 -0.59 0.00 0.46 0.00 0.00 57.72 57.58 1ug7 n HIS 57 Cb 0.03 -0.45 -0.11 0.00 -0.12 0.00 0.00 29.99 29.35 1ug7 n HIS 57 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1ug7 n ASN 58 N -4.19 1.15 -3.11 0.26 3.02 -1.26 -2.49 115.26 108.65 1ug7 n ASN 58 Ca -0.16 0.69 -0.01 0.00 -0.03 0.00 0.00 54.58 55.07 1ug7 n ASN 58 Cb 0.47 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ug7 n ASN 59 N 7.56 -6.81 0.00 6.41 4.13 -1.26 -4.79 115.26 120.49 1ug7 n ASN 59 Ca 0.49 0.58 0.00 0.00 1.68 0.00 0.00 54.58 57.32 1ug7 n ASN 59 Cb 0.02 -2.24 0.00 0.00 -1.54 0.00 0.00 39.78 36.02 1ug7 n ASN 59 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ug7 n SER 60 N 1.16 0.00 -2.39 6.41 3.41 -1.04 -4.87 113.62 116.31 1ug7 n SER 60 Ca -0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1ug7 n SER 60 Cb 0.42 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 2.95 -4.27 4.33 1.02 -1.26 -4.77 120.64 118.63 1ug7 n GLU 61 Ca 0.00 -3.60 -0.21 0.00 -0.02 0.00 0.00 57.16 53.33 1ug7 n GLU 61 Cb 0.00 -2.28 -0.12 0.00 -0.02 0.00 0.00 31.44 29.02 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ug7 s PHE 62 N -3.81 1.62 0.58 -0.32 0.08 -1.26 -5.09 117.98 109.78 1ug7 s PHE 62 Ca 0.58 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 57.05 1ug7 s PHE 62 Cb 0.47 -0.86 -0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1ug7 s PHE 62 CO -0.09 0.20 0.99 -0.08 -0.10 0.00 0.00 175.22 176.15 1ug7 s THR 63 N -1.66 4.70 0.21 0.64 -1.32 -1.26 -4.76 115.64 112.19 1ug7 s THR 63 Ca 0.08 0.86 -0.18 0.00 -1.21 0.00 0.00 61.69 61.25 1ug7 s THR 63 Cb -0.08 -3.84 0.20 0.00 -1.51 0.00 0.00 72.50 67.27 1ug7 s THR 63 CO 0.04 -1.02 1.48 1.21 -2.21 0.00 0.00 174.62 174.12 1ug7 n GLU 64 N -2.45 -0.25 0.13 7.08 2.13 -1.26 -0.70 120.64 125.32 1ug7 n GLU 64 Ca 0.05 1.46 -0.13 0.00 0.66 0.00 0.00 57.16 59.21 1ug7 n GLU 64 Cb 0.54 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 30.01 1ug7 n GLU 64 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ug7 h GLU 65 N 0.00 -0.60 -0.27 5.31 5.08 -1.98 0.45 114.58 122.56 1ug7 h GLU 65 Ca 0.31 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1ug7 h GLU 65 Cb 0.55 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1ug7 h GLU 65 CO -0.94 -0.40 -0.16 1.04 -1.00 0.00 0.00 179.01 177.55 1ug7 n GLN 66 N -4.67 -0.12 -0.34 2.33 6.02 0.13 0.12 117.38 120.84 1ug7 n GLN 66 Ca -0.07 1.06 0.11 0.00 -0.01 0.00 0.00 57.00 58.09 1ug7 n GLN 66 Cb 0.32 -1.58 0.29 0.00 1.02 0.00 0.00 30.24 30.29 1ug7 n GLN 66 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1ug7 h LYS 67 N 0.00 0.71 -0.08 -1.09 2.10 -1.06 0.64 116.57 117.79 1ug7 h LYS 67 Ca 0.04 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1ug7 h LYS 67 Cb 0.11 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.26 1ug7 h LYS 67 CO -0.26 0.47 -0.21 -0.22 -2.00 0.00 0.00 179.45 177.23 1ug7 h LYS 68 N 0.73 -0.20 -0.25 0.07 1.63 0.57 0.50 116.57 119.62 1ug7 h LYS 68 Ca 0.55 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.41 1ug7 h LYS 68 Cb 0.82 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.45 1ug7 h LYS 68 CO -0.38 -0.13 -0.06 1.15 -3.45 0.00 0.00 179.45 176.58 1ug7 h THR 69 N -0.20 0.75 -0.98 1.00 2.02 -0.18 -1.46 112.91 113.86 1ug7 h THR 69 Ca 0.02 -0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.42 1ug7 h THR 69 Cb 0.25 0.75 -0.19 0.00 -1.74 0.00 0.00 68.15 67.22 1ug7 h THR 69 CO -0.18 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 175.98 1ug7 h ILE 70 N 0.00 0.02 0.64 3.11 2.04 -0.25 0.24 117.51 123.31 1ug7 h ILE 70 Ca 0.12 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1ug7 h ILE 70 Cb 0.18 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1ug7 h ILE 70 CO -0.25 0.00 -0.31 1.23 0.00 0.00 0.00 178.15 178.82 1ug7 h GLY 71 N 0.00 -0.90 -0.82 5.37 0.00 0.09 -2.98 103.07 103.83 1ug7 h GLY 71 Ca 0.53 0.33 0.21 0.00 0.00 0.00 0.00 47.33 48.40 1ug7 h GLY 71 CO -0.97 -0.33 -0.13 0.50 0.00 0.00 0.00 176.54 175.61 1ug7 h LYS 72 N -1.05 0.01 -0.43 4.80 1.57 0.01 0.60 116.57 122.09 1ug7 h LYS 72 Ca -0.09 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1ug7 h LYS 72 Cb 0.70 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 1ug7 h LYS 72 CO 0.15 0.01 -0.37 0.82 -0.57 0.00 0.00 179.45 179.48 1ug7 h ILE 73 N 0.02 0.17 -0.07 1.86 2.04 -0.56 -0.64 117.51 120.32 1ug7 h ILE 73 Ca 0.48 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.38 1ug7 h ILE 73 Cb 0.84 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1ug7 h ILE 73 CO -0.91 0.00 -0.44 0.00 0.00 0.00 0.00 178.15 176.80 1ug7 h ALA 74 N 0.65 -0.68 -0.97 1.87 0.00 0.30 -0.99 119.26 119.44 1ug7 h ALA 74 Ca 0.17 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1ug7 h ALA 74 Cb 0.56 0.81 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 1ug7 h ALA 74 CO -0.57 -0.97 -0.34 1.15 0.00 0.00 0.00 179.25 178.52 1ug7 h THR 75 N -0.55 0.02 -0.25 0.00 2.02 -0.11 0.86 112.91 114.90 1ug7 h THR 75 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 1ug7 h THR 75 Cb 0.65 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1ug7 h THR 75 CO -0.37 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.38 1ug7 h LEU 77 N -0.11 -1.70 -1.97 0.00 3.38 0.19 1.08 115.31 116.18 1ug7 h LEU 77 Ca 0.14 0.24 0.49 0.00 0.09 0.00 0.00 57.88 58.84 1ug7 h LEU 77 Cb 0.31 0.73 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1ug7 h LEU 77 CO -0.32 -0.37 1.22 -0.33 0.09 0.00 0.00 178.44 178.73 1ug7 h GLU 78 N -0.32 0.00 0.00 1.13 5.08 -0.27 1.22 114.58 121.42 1ug7 h GLU 78 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1ug7 h GLU 78 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ug7 h GLU 78 CO -0.64 0.00 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.17 1ug7 h LEU 79 N 0.00 0.11 0.25 1.33 3.38 0.14 -2.83 115.31 117.69 1ug7 h LEU 79 Ca 0.80 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ug7 h LEU 79 Cb 3.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.95 1ug7 h LEU 79 CO -0.01 0.91 -0.13 -0.09 0.09 0.00 0.00 178.44 179.21 1ug7 h ARG 80 N -0.67 -0.33 -0.98 1.13 9.65 0.27 1.44 114.38 124.89 1ug7 h ARG 80 Ca -0.02 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.04 1ug7 h ARG 80 Cb 0.94 0.07 -0.16 0.00 -1.39 0.00 0.00 29.97 29.43 1ug7 h ARG 80 CO 0.03 -0.22 -0.38 0.77 2.80 0.00 0.00 179.97 182.97 1ug7 h SER 81 N -0.34 -1.38 0.18 -3.80 0.02 -0.99 0.42 113.55 107.66 1ug7 h SER 81 Ca -0.03 0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1ug7 h SER 81 Cb 0.27 0.74 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1ug7 h SER 81 CO 0.05 -0.29 -0.08 0.00 -1.14 0.00 0.00 176.83 175.36 1ug7 h ALA 82 N 1.42 -0.24 -1.37 3.77 0.00 -1.41 -1.76 119.26 119.67 1ug7 h ALA 82 Ca 0.35 -0.09 0.43 0.00 0.00 0.00 0.00 54.91 55.60 1ug7 h ALA 82 Cb 0.61 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 1ug7 h ALA 82 CO -0.98 -0.58 0.92 0.00 0.00 0.00 0.00 179.25 178.60 1ug7 h ALA 83 N 0.48 2.89 0.09 0.00 0.00 0.62 0.94 119.26 124.27 1ug7 h ALA 83 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ug7 h ALA 83 Cb 0.26 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ug7 h ALA 83 CO 0.04 -1.46 -0.04 -0.07 0.00 0.00 0.00 179.25 177.72 1ug7 h LEU 84 N 0.10 -0.11 -0.99 0.00 3.38 0.10 -3.22 115.31 114.57 1ug7 h LEU 84 Ca 0.79 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 58.38 1ug7 h LEU 84 Cb 2.60 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 43.30 1ug7 h LEU 84 CO -0.30 0.47 0.62 1.56 0.09 0.00 0.00 178.44 180.89 1ug7 h GLN 85 N -0.75 1.01 -5.54 1.13 4.20 0.13 -3.41 115.11 111.89 1ug7 h GLN 85 Ca -0.01 -0.06 -0.60 0.00 0.06 0.00 0.00 58.65 58.04 1ug7 h GLN 85 Cb 0.57 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 1ug7 h GLN 85 CO 0.02 0.67 1.56 -1.13 -0.67 0.00 0.00 178.83 179.28 1ug7 n SER 86 N -4.59 1.04 0.06 1.46 3.41 0.23 -4.75 113.62 110.49 1ug7 n SER 86 Ca 0.17 0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 59.00 1ug7 n SER 86 Cb 0.28 -1.07 -0.09 0.00 -0.26 0.00 0.00 64.21 63.07 1ug7 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ug7 h THR 87 N 7.52 1.42 0.00 6.66 1.03 -1.88 -3.42 112.91 124.24 1ug7 h THR 87 Ca -0.13 -3.07 0.00 0.00 -0.01 0.00 0.00 66.41 63.20 1ug7 h THR 87 Cb 1.34 2.69 0.00 0.00 -1.07 0.00 0.00 68.15 71.11 1ug7 h THR 87 CO 1.21 0.81 0.00 0.00 -0.01 0.00 0.00 175.52 177.53 1ug7 n GLN 88 N -3.28 0.00 -3.51 0.00 1.13 -1.26 -5.10 117.38 105.36 1ug7 n GLN 88 Ca -0.02 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.94 1ug7 n GLN 88 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 31.24 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ug7 s SER 89 N -1.00 -0.48 0.00 1.08 0.15 -1.26 -5.05 113.70 107.14 1ug7 s SER 89 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1ug7 s SER 89 Cb 0.00 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ug7 s SER 89 CO 0.00 -0.98 0.00 1.67 1.20 0.00 0.00 173.24 175.13 1ug7 n GLN 90 N -0.38 0.00 -3.98 5.44 7.27 -1.26 -5.02 117.38 119.46 1ug7 n GLN 90 Ca -0.14 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.54 1ug7 n GLN 90 Cb 0.64 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.30 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 -0.57 0.00 3.69 2.13 -1.26 -4.80 120.64 119.82 1ug7 n GLU 91 Ca 0.00 0.20 0.14 0.00 0.66 0.00 0.00 57.16 58.16 1ug7 n GLU 91 Cb 0.00 -2.17 0.50 0.00 0.27 0.00 0.00 31.44 30.04 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 -4.20 1.61 0.00 5.31 1.02 -1.26 -4.90 120.64 118.22 1ug7 n GLU 92 Ca -0.16 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1ug7 n GLU 92 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.14 0.00 -3.30 -0.32 7.35 -1.26 -4.76 117.46 115.31 1ug7 n PHE 93 Ca 0.18 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.87 1ug7 n PHE 93 Cb 0.36 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.19 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 -0.16 1.28 -0.07 -4.13 2.85 -1.26 -4.66 118.16 112.01 1ug7 n LYS 94 Ca 0.00 -0.09 -0.10 0.00 -1.05 0.00 0.00 58.31 57.07 1ug7 n LYS 94 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 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 -0.27 -5.58 5.85 -2.00 -3.18 115.31 110.13 1ug7 h LEU 95 Ca -0.01 -0.68 0.07 0.00 0.84 0.00 0.00 57.88 58.10 1ug7 h LEU 95 Cb 0.03 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1ug7 h LEU 95 CO 0.01 0.87 -0.28 1.05 -0.34 0.00 0.00 178.44 179.75 1ug7 h GLU 96 N -1.00 -0.27 -0.95 1.25 4.11 -1.97 0.52 114.58 116.28 1ug7 h GLU 96 Ca -0.01 0.02 0.25 0.00 0.07 0.00 0.00 59.36 59.69 1ug7 h GLU 96 Cb 0.71 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1ug7 h GLU 96 CO -0.01 -0.18 0.65 -0.44 0.07 0.00 0.00 179.01 179.10 1ug7 h ASP 97 N -0.28 0.22 -0.02 3.06 5.19 -1.98 0.26 116.42 122.87 1ug7 h ASP 97 Ca 0.14 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 1ug7 h ASP 97 Cb 0.50 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1ug7 h ASP 97 CO -0.43 0.07 -0.26 0.25 -3.12 0.00 0.00 179.24 175.76 1ug7 h LEU 98 N 0.21 0.26 -1.76 1.55 5.85 -0.19 -2.96 115.31 118.27 1ug7 h LEU 98 Ca 0.48 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1ug7 h LEU 98 Cb 1.53 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1ug7 h LEU 98 CO -0.12 0.95 0.09 0.11 -0.34 0.00 0.00 178.44 179.13 1ug7 h LYS 99 N -0.41 0.00 0.00 1.25 6.56 0.30 0.71 116.57 124.98 1ug7 h LYS 99 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1ug7 h LYS 99 Cb 0.97 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.63 1ug7 h LYS 99 CO 0.05 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.07 1ug7 n LYS 100 N -2.48 0.64 0.00 3.15 5.02 0.07 -1.75 118.16 122.81 1ug7 n LYS 100 Ca -0.02 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.40 1ug7 n LYS 100 Cb 0.13 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.09 2.66 -0.01 -0.35 4.77 0.25 -3.97 117.00 119.25 1ug7 n LEU 101 Ca 0.16 -0.98 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 1ug7 n LEU 101 Cb 0.12 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1ug7 n LEU 101 CO 0.16 0.46 0.46 -0.08 -1.33 0.00 0.00 177.39 177.05 1ug7 h GLU 102 N 3.92 -0.06 0.00 3.23 4.81 -1.45 -2.79 114.58 122.23 1ug7 h GLU 102 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1ug7 h GLU 102 Cb 0.85 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1ug7 h GLU 102 CO 0.00 0.55 -0.69 -1.00 -0.73 0.00 0.00 179.01 177.15 1ug7 h PRO 103 N -0.78 0.00 -0.69 0.92 0.13 -1.77 -2.36 132.00 127.45 1ug7 h PRO 103 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1ug7 h PRO 103 Cb 0.65 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 1ug7 h PRO 103 CO 0.01 0.69 0.36 0.82 -0.23 0.00 0.00 178.00 179.65 1ug7 h ILE 104 N 0.00 1.22 -0.07 -3.56 2.04 -1.69 1.17 117.51 116.62 1ug7 h ILE 104 Ca -0.01 -0.58 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 1ug7 h ILE 104 Cb 1.28 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1ug7 h ILE 104 CO 0.09 0.25 -0.70 -0.07 0.00 0.00 0.00 178.15 177.72 1ug7 h LEU 105 N 0.96 0.38 0.11 1.44 3.38 -1.44 -0.11 115.31 120.02 1ug7 h LEU 105 Ca 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ug7 h LEU 105 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ug7 h LEU 105 CO -0.04 0.96 -0.05 0.11 0.09 0.00 0.00 178.44 179.51 1ug7 h LYS 106 N 0.22 -0.14 -1.04 1.13 1.79 -0.82 -3.02 116.57 114.69 1ug7 h LYS 106 Ca -0.02 0.01 -0.32 0.00 -2.18 0.00 0.00 60.65 58.14 1ug7 h LYS 106 Cb 1.26 0.03 -0.18 0.00 -1.58 0.00 0.00 32.23 31.75 1ug7 h LYS 106 CO 0.11 0.28 0.41 0.09 -1.08 0.00 0.00 179.45 179.26 1ug7 n ASN 107 N -4.94 3.77 -0.16 0.86 3.02 0.40 -4.49 115.26 113.70 1ug7 n ASN 107 Ca -0.09 -2.99 -0.02 0.00 -0.03 0.00 0.00 54.58 51.45 1ug7 n ASN 107 Cb 0.25 -0.74 0.05 0.00 -0.61 0.00 0.00 39.78 38.74 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 0.64 0.53 -0.28 2.41 1.08 -0.87 1.51 117.51 122.53 1ug7 h ILE 108 Ca 0.38 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.83 1ug7 h ILE 108 Cb 2.01 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 1ug7 h ILE 108 CO 0.69 0.01 0.17 -0.07 -0.69 0.00 0.00 178.15 178.26 1ug7 h LEU 109 N 0.04 0.34 -5.13 1.44 3.38 -1.85 -2.95 115.31 110.58 1ug7 h LEU 109 Ca 0.25 -0.06 -0.72 0.00 0.09 0.00 0.00 57.88 57.44 1ug7 h LEU 109 Cb 0.39 -0.09 -0.32 0.00 0.09 0.00 0.00 40.66 40.74 1ug7 h LEU 109 CO -0.49 0.30 0.51 1.07 0.09 0.00 0.00 178.44 179.92 1ug7 n THR 110 N -4.85 3.72 -4.58 0.22 5.66 -0.03 -4.98 114.28 109.44 1ug7 n THR 110 Ca -0.02 -4.85 -0.33 0.00 -3.05 0.00 0.00 64.05 55.79 1ug7 n THR 110 Cb 0.06 -1.31 -0.13 0.00 -1.55 0.00 0.00 70.33 67.40 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 -3.95 2.93 -0.25 1.09 5.04 0.50 -4.84 117.35 117.88 1ug7 s TYR 111 Ca 0.49 -0.33 -0.29 0.00 -2.44 0.00 0.00 57.07 54.49 1ug7 s TYR 111 Cb 0.37 -1.86 -0.02 0.00 0.35 0.00 0.00 41.96 40.80 1ug7 s TYR 111 CO -0.29 -0.01 1.47 1.21 -1.34 0.00 0.00 175.55 176.59 1ug7 s ASN 112 N 0.09 6.53 0.85 4.32 3.84 -1.26 -4.99 114.94 124.32 1ug7 s ASN 112 Ca -0.03 1.47 -0.06 0.00 0.21 0.00 0.00 52.86 54.45 1ug7 s ASN 112 Cb -0.14 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.12 1ug7 s ASN 112 CO 0.03 -1.16 0.22 0.29 -2.79 0.00 0.00 177.10 173.69 1ug7 n LYS 113 N 7.47 -1.39 -2.54 0.43 4.76 -1.26 -4.59 118.16 121.04 1ug7 n LYS 113 Ca 0.17 -0.37 -0.03 0.00 -2.87 0.00 0.00 58.31 55.21 1ug7 n LYS 113 Cb 0.46 -0.60 0.01 0.00 -1.84 0.00 0.00 35.03 33.06 1ug7 n LYS 113 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ug7 n GLU 114 N -1.91 -1.03 -1.07 1.97 1.02 -1.26 -4.91 120.64 113.45 1ug7 n GLU 114 Ca 0.03 0.96 -0.34 0.00 -0.02 0.00 0.00 57.16 57.80 1ug7 n GLU 114 Cb 0.15 -4.25 0.01 0.00 -0.02 0.00 0.00 31.44 27.33 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ug7 n PHE 115 N -1.83 -2.24 0.16 -0.32 7.35 -1.26 -4.84 117.46 114.48 1ug7 n PHE 115 Ca -0.01 0.43 0.03 0.00 -0.76 0.00 0.00 57.45 57.14 1ug7 n PHE 115 Cb 0.52 -1.45 0.20 0.00 0.35 0.00 0.00 39.48 39.10 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 0.08 0.00 -5.99 -7.13 0.13 -1.93 -3.44 132.00 113.72 1ug7 h PRO 116 Ca -0.34 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.13 1ug7 h PRO 116 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1ug7 h PRO 116 CO 0.37 0.47 -0.59 -0.06 -0.23 0.00 0.00 178.00 177.96 1ug7 s PHE 117 N -3.35 3.25 -1.14 1.56 0.08 -1.26 -5.00 117.98 112.12 1ug7 s PHE 117 Ca 0.01 0.21 -0.25 0.00 0.12 0.00 0.00 56.93 57.03 1ug7 s PHE 117 Cb 0.10 -1.75 -0.15 0.00 -0.57 0.00 0.00 43.02 40.64 1ug7 s PHE 117 CO 0.72 0.53 2.02 -0.51 -0.10 0.00 0.00 175.22 177.89 1ug7 s ASP 118 N -1.46 4.25 -0.02 1.36 1.11 -1.26 -4.82 116.67 115.82 1ug7 s ASP 118 Ca 0.20 -1.33 0.01 0.00 0.18 0.00 0.00 52.55 51.61 1ug7 s ASP 118 Cb -0.12 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.29 1ug7 s ASP 118 CO 0.10 -3.90 -0.03 0.68 1.18 0.00 0.00 175.17 173.20 1ug7 s VAL 119 N 13.95 0.31 0.28 -1.27 -7.23 -1.26 -5.07 120.40 120.12 1ug7 s VAL 119 Ca 0.75 -0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.86 1ug7 s VAL 119 Cb -0.03 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 1ug7 s VAL 119 CO 0.16 0.14 0.45 -1.10 -0.31 0.00 0.00 175.10 174.43 1ug7 s GLN 120 N 0.47 3.47 0.10 4.82 1.11 -1.26 -4.87 119.66 123.50 1ug7 s GLN 120 Ca -0.05 -0.52 -0.30 0.00 0.01 0.00 0.00 55.36 54.49 1ug7 s GLN 120 Cb -0.08 -2.78 -0.06 0.00 -1.01 0.00 0.00 33.01 29.07 1ug7 s GLN 120 CO -0.01 0.30 1.15 -1.25 0.01 0.00 0.00 175.29 175.49 1ug7 s PRO 121 N -4.06 4.50 0.27 2.91 0.04 -1.26 -3.82 135.00 133.58 1ug7 s PRO 121 Ca 0.37 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1ug7 s PRO 121 Cb -0.09 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 1ug7 s PRO 121 CO 0.32 -0.12 1.40 0.42 0.04 0.00 0.00 177.00 179.07 1ug7 s ILE 122 N 0.55 2.66 0.00 0.56 1.01 -1.26 -4.03 121.20 120.69 1ug7 s ILE 122 Ca 0.55 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1ug7 s ILE 122 Cb -0.29 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1ug7 s ILE 122 CO 0.32 0.11 0.00 -1.20 0.00 0.00 0.00 174.94 174.16 1ug7 n SER 123 N 1.87 -6.64 -2.59 3.58 7.64 -1.26 -3.95 113.62 112.27 1ug7 n SER 123 Ca 0.05 0.44 -0.08 0.00 1.01 0.00 0.00 58.87 60.29 1ug7 n SER 123 Cb 0.41 -1.57 0.05 0.00 -1.01 0.00 0.00 64.21 62.09 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 1.38 -0.56 3.82 0.23 0.00 -1.26 -4.09 105.19 104.72 1ug7 n GLY 124 Ca 0.00 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.58 3.00 -0.06 1.61 0.04 -1.26 -5.03 135.00 129.72 1ug7 s PRO 125 Ca 0.20 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1ug7 s PRO 125 Cb -0.01 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1ug7 s PRO 125 CO 0.14 -1.05 0.16 0.45 0.04 0.00 0.00 177.00 176.74 1ug7 s SER 126 N -3.67 -0.15 0.39 6.66 0.15 -1.26 -5.14 113.70 110.67 1ug7 s SER 126 Ca 0.59 0.33 -0.25 0.00 0.70 0.00 0.00 55.95 57.31 1ug7 s SER 126 Cb -0.14 0.27 -0.09 0.00 -1.71 0.00 0.00 66.02 64.36 1ug7 s SER 126 CO 0.53 -0.10 1.11 -0.94 1.20 0.00 0.00 173.24 175.03 1ug7 s SER 127 N 0.61 6.69 0.00 5.45 1.04 -1.26 -5.27 113.70 120.96 1ug7 s SER 127 Ca -0.04 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.59 1ug7 s SER 127 Cb -0.06 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ug7 s SER 127 CO -0.03 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.25