#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 1.44 -4.63 1.61 2.88 -1.26 -4.95 113.62 108.70 1ug7 n SER 2 Ca 0.00 0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 57.33 1ug7 n SER 2 Cb 0.00 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1ug7 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ug7 s SER 3 N -5.99 6.83 -0.28 -3.46 1.04 -1.26 -4.97 113.70 105.60 1ug7 s SER 3 Ca -0.14 1.08 -0.09 0.00 0.48 0.00 0.00 55.95 57.27 1ug7 s SER 3 Cb 0.03 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.73 1ug7 s SER 3 CO 0.21 -0.97 0.60 -0.83 0.98 0.00 0.00 173.24 173.24 1ug7 s GLY 4 N 2.09 -0.67 -0.12 7.32 0.00 -1.26 -5.15 107.32 109.53 1ug7 s GLY 4 Ca 0.49 2.17 -0.15 0.00 0.00 0.00 0.00 44.72 47.23 1ug7 s GLY 4 CO 0.19 2.96 0.37 -0.56 0.00 0.00 0.00 173.10 176.06 1ug7 s SER 5 N 2.84 6.57 -0.11 1.64 0.01 -1.26 -5.00 113.70 118.40 1ug7 s SER 5 Ca -0.04 0.68 -0.07 0.00 1.31 0.00 0.00 55.95 57.82 1ug7 s SER 5 Cb -0.12 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1ug7 s SER 5 CO -0.18 0.10 -0.14 -1.20 0.41 0.00 0.00 173.24 172.23 1ug7 n SER 6 N 3.34 1.37 -0.01 2.44 7.64 -1.26 -4.80 113.62 122.34 1ug7 n SER 6 Ca -0.11 0.53 -0.00 0.00 1.01 0.00 0.00 58.87 60.31 1ug7 n SER 6 Cb 0.52 -0.78 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1ug7 n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ug7 h GLY 7 N -0.76 0.00 -5.00 0.23 0.00 -2.08 -3.48 103.07 91.99 1ug7 h GLY 7 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ug7 h GLY 7 CO 0.00 0.00 0.08 1.15 0.00 0.00 0.00 176.54 177.77 1ug7 n MET 8 N -2.74 0.05 0.00 4.80 3.85 -1.26 -5.12 117.12 116.70 1ug7 n MET 8 Ca -0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 57.70 56.12 1ug7 n MET 8 Cb 0.01 -0.07 0.00 0.00 -1.05 0.00 0.00 33.22 32.11 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 0.96 -0.04 -0.01 3.17 7.64 -1.26 -3.26 113.62 120.82 1ug7 n SER 9 Ca -0.04 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.83 1ug7 n SER 9 Cb 0.74 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.00 0.49 -0.27 1.43 0.00 -1.26 -4.29 120.64 116.74 1ug7 n GLU 10 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1ug7 n GLU 10 Cb 0.00 -1.05 0.13 0.00 0.00 0.00 0.00 31.44 30.52 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1ug7 h VAL 11 N 0.00 0.96 -0.28 3.84 -1.51 -1.97 1.15 116.25 118.45 1ug7 h VAL 11 Ca -0.05 -0.27 -0.12 0.00 -1.23 0.00 0.00 66.70 65.03 1ug7 h VAL 11 Cb 1.09 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1ug7 h VAL 11 CO -0.01 0.14 -0.29 0.74 -1.23 0.00 0.00 177.57 176.93 1ug7 h THR 12 N 0.78 1.30 0.00 7.19 2.02 -1.84 0.55 112.91 122.92 1ug7 h THR 12 Ca 0.35 -1.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 1ug7 h THR 12 Cb 0.24 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1ug7 h THR 12 CO -0.20 0.46 -0.22 -0.09 0.37 0.00 0.00 175.52 175.84 1ug7 h ARG 13 N 0.42 0.00 0.00 6.66 2.43 -1.31 -1.93 114.38 120.65 1ug7 h ARG 13 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ug7 h ARG 13 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1ug7 h ARG 13 CO 0.07 0.22 -0.71 0.66 -1.51 0.00 0.00 179.97 178.70 1ug7 h SER 14 N 0.00 0.00 0.08 -3.80 4.64 0.16 -3.33 113.55 111.30 1ug7 h SER 14 Ca -0.00 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1ug7 h SER 14 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1ug7 h SER 14 CO 0.03 0.03 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.91 1ug7 h LEU 15 N 0.00 -0.09 -1.76 5.97 3.38 -0.09 1.03 115.31 123.74 1ug7 h LEU 15 Ca 0.00 0.00 0.47 0.00 0.09 0.00 0.00 57.88 58.45 1ug7 h LEU 15 Cb 0.93 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1ug7 h LEU 15 CO 0.00 -0.02 1.30 -0.07 0.09 0.00 0.00 178.44 179.74 1ug7 h LEU 16 N -0.21 0.00 0.00 1.67 3.38 -1.68 0.63 115.31 119.10 1ug7 h LEU 16 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ug7 h LEU 16 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ug7 h LEU 16 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1ug7 n GLN 17 N -3.78 0.00 -0.63 1.13 6.02 -1.18 -2.92 117.38 116.02 1ug7 n GLN 17 Ca 0.37 0.32 0.49 0.00 -0.01 0.00 0.00 57.00 58.17 1ug7 n GLN 17 Cb 1.79 -0.81 0.77 0.00 1.02 0.00 0.00 30.24 33.01 1ug7 n GLN 17 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1ug7 h ARG 18 N 0.00 0.00 0.21 -1.09 -0.00 0.23 0.47 114.38 114.20 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 -0.10 -1.49 -0.00 0.00 0.00 179.97 178.38 1ug7 h TRP 19 N 0.00 -0.26 -0.36 4.08 6.55 0.06 -2.64 115.95 123.38 1ug7 h TRP 19 Ca 0.92 -0.01 0.11 0.00 0.95 0.00 0.00 58.89 60.86 1ug7 h TRP 19 Cb 3.45 0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 31.82 1ug7 h TRP 19 CO -0.00 -0.16 0.60 0.78 -1.05 0.00 0.00 178.44 178.61 1ug7 h GLY 20 N -0.46 0.00 1.58 1.49 0.00 -0.16 1.26 103.07 106.79 1ug7 h GLY 20 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.14 1ug7 h GLY 20 CO 0.05 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 176.01 1ug7 h ALA 21 N 1.14 0.74 0.70 3.60 0.00 -0.25 -1.88 119.26 123.31 1ug7 h ALA 21 Ca 0.17 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1ug7 h ALA 21 Cb 1.37 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1ug7 h ALA 21 CO -0.00 0.70 -0.34 0.77 0.00 0.00 0.00 179.25 180.39 1ug7 h SER 22 N 0.33 -0.79 0.00 0.00 0.02 0.20 -2.33 113.55 110.97 1ug7 h SER 22 Ca -0.00 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1ug7 h SER 22 Cb 1.11 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.80 1ug7 h SER 22 CO 0.10 -0.51 -0.47 0.25 -1.14 0.00 0.00 176.83 175.06 1ug7 h LEU 23 N -1.05 -1.43 -0.90 5.07 5.85 -1.59 0.66 115.31 121.93 1ug7 h LEU 23 Ca -0.10 0.17 0.26 0.00 0.84 0.00 0.00 57.88 59.05 1ug7 h LEU 23 Cb 0.72 0.55 -0.17 0.00 0.37 0.00 0.00 40.66 42.13 1ug7 h LEU 23 CO 0.16 -0.49 0.05 0.54 -0.34 0.00 0.00 178.44 178.36 1ug7 n ARG 24 N -5.46 -0.07 -0.03 1.25 5.12 -0.71 0.72 116.66 117.48 1ug7 n ARG 24 Ca -0.06 1.34 -0.14 0.00 -1.93 0.00 0.00 57.85 57.05 1ug7 n ARG 24 Cb 0.38 -2.14 -0.11 0.00 -1.16 0.00 0.00 32.46 29.43 1ug7 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ug7 h ARG 25 N 0.00 0.14 -1.15 5.56 3.08 -0.50 -3.17 114.38 118.34 1ug7 h ARG 25 Ca 0.56 -0.13 0.37 0.00 0.07 0.00 0.00 59.98 60.86 1ug7 h ARG 25 Cb 1.18 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.13 1ug7 h ARG 25 CO -0.83 0.82 0.71 0.78 -1.07 0.00 0.00 179.97 180.37 1ug7 h GLY 26 N -0.49 1.62 0.69 0.04 0.00 0.62 0.46 103.07 106.01 1ug7 h GLY 26 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1ug7 h GLY 26 CO 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 176.54 176.04 1ug7 h ALA 27 N 1.72 -0.27 -0.91 3.60 0.00 -0.92 -1.89 119.26 120.58 1ug7 h ALA 27 Ca 0.76 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.62 1ug7 h ALA 27 Cb 2.11 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.88 1ug7 h ALA 27 CO -0.49 -0.50 -0.47 -0.44 0.00 0.00 0.00 179.25 177.35 1ug7 h ASP 28 N -0.59 -1.70 -0.00 0.00 3.32 -0.07 1.04 116.42 118.42 1ug7 h ASP 28 Ca -0.03 0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1ug7 h ASP 28 Cb 0.43 0.81 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1ug7 h ASP 28 CO 0.05 -0.28 -0.18 -0.26 -1.72 0.00 0.00 179.24 176.85 1ug7 h PHE 29 N -0.05 -0.47 0.25 4.55 0.04 -1.37 -0.02 116.94 119.87 1ug7 h PHE 29 Ca 0.25 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1ug7 h PHE 29 Cb 0.53 0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 1ug7 h PHE 29 CO -0.89 -0.26 -0.30 0.22 -0.60 0.00 0.00 178.31 176.48 1ug7 h ASP 30 N -0.29 -0.83 -0.38 2.17 1.82 0.20 1.56 116.42 120.67 1ug7 h ASP 30 Ca 0.06 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1ug7 h ASP 30 Cb 0.36 0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.61 1ug7 h ASP 30 CO -0.17 -0.37 -0.25 0.28 -1.61 0.00 0.00 179.24 177.12 1ug7 h SER 31 N -0.55 -0.89 0.00 2.28 0.02 0.11 -2.58 113.55 111.94 1ug7 h SER 31 Ca -0.03 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ug7 h SER 31 Cb 0.49 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1ug7 h SER 31 CO -0.06 -0.11 0.00 0.79 -1.14 0.00 0.00 176.83 176.31 1ug7 n TRP 32 N -3.92 0.00 0.00 3.45 8.01 -0.03 -4.89 117.44 120.06 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 0.12 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.16 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 -0.89 0.00 2.63 6.99 0.00 0.17 -5.08 105.19 109.01 1ug7 n GLY 33 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.24 0.33 1.61 1.13 0.48 -4.89 117.38 119.28 1ug7 n GLN 34 Ca 0.00 -4.67 -0.18 0.00 -1.94 0.00 0.00 57.00 50.21 1ug7 n GLN 34 Cb 0.00 -2.33 -0.09 0.00 0.11 0.00 0.00 30.24 27.93 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 4.33 -1.21 0.00 1.08 3.38 -1.89 1.33 115.31 122.33 1ug7 h LEU 35 Ca 0.21 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ug7 h LEU 35 Cb 0.61 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ug7 h LEU 35 CO 0.98 -0.65 0.00 0.55 0.09 0.00 0.00 178.44 179.40 1ug7 n VAL 36 N -5.56 0.00 -0.25 1.22 3.14 -1.26 0.19 118.33 115.81 1ug7 n VAL 36 Ca -0.12 1.43 0.05 0.00 -2.96 0.00 0.00 64.34 62.73 1ug7 n VAL 36 Cb 0.45 -1.99 0.18 0.00 -1.06 0.00 0.00 33.84 31.42 1ug7 n VAL 36 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ug7 h GLU 37 N 0.00 0.44 0.21 1.45 3.07 -1.96 -1.48 114.58 116.31 1ug7 h GLU 37 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1ug7 h GLU 37 Cb 0.00 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 1ug7 h GLU 37 CO 0.00 0.29 -0.41 0.00 -1.40 0.00 0.00 179.01 177.48 1ug7 h ALA 38 N 1.53 -0.97 -0.78 3.43 0.00 0.39 -0.94 119.26 121.92 1ug7 h ALA 38 Ca 0.40 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1ug7 h ALA 38 Cb 0.60 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 1ug7 h ALA 38 CO -0.39 -1.04 -0.31 0.82 0.00 0.00 0.00 179.25 178.33 1ug7 h ILE 39 N -0.67 0.12 -0.59 0.00 2.04 0.29 0.39 117.51 119.10 1ug7 h ILE 39 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 1ug7 h ILE 39 Cb 0.64 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 1ug7 h ILE 39 CO -0.16 0.00 -0.32 -0.78 0.00 0.00 0.00 178.15 176.88 1ug7 h ASP 40 N -0.06 -1.13 0.01 1.72 3.58 -0.56 0.27 116.42 120.25 1ug7 h ASP 40 Ca 0.32 0.22 0.01 0.00 0.42 0.00 0.00 57.03 58.00 1ug7 h ASP 40 Cb 0.58 0.56 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1ug7 h ASP 40 CO -0.82 -0.30 -0.21 -0.08 -2.88 0.00 0.00 179.24 174.95 1ug7 h GLU 41 N -0.16 -0.26 -0.12 0.28 4.57 0.11 0.20 114.58 119.21 1ug7 h GLU 41 Ca 0.23 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1ug7 h GLU 41 Cb 0.55 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 1ug7 h GLU 41 CO -0.67 -0.17 -0.17 1.88 -1.18 0.00 0.00 179.01 178.69 1ug7 h TYR 42 N -0.27 -0.52 -0.53 0.92 0.05 -0.51 0.19 116.97 116.30 1ug7 h TYR 42 Ca 0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1ug7 h TYR 42 Cb 0.28 0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.20 1ug7 h TYR 42 CO -0.41 -0.15 -0.33 1.96 -1.05 0.00 0.00 178.16 178.18 1ug7 h GLN 43 N -0.13 -0.02 -0.77 4.88 4.20 -0.41 1.55 115.11 124.41 1ug7 h GLN 43 Ca 0.02 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.86 1ug7 h GLN 43 Cb 0.18 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.83 1ug7 h GLN 43 CO -0.18 -0.01 -0.37 0.82 -0.67 0.00 0.00 178.83 178.42 1ug7 h ILE 44 N -0.02 0.09 -0.93 2.54 5.03 -0.19 1.10 117.51 125.12 1ug7 h ILE 44 Ca 0.09 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.87 1ug7 h ILE 44 Cb 0.24 0.09 -0.06 0.00 -3.03 0.00 0.00 36.82 34.07 1ug7 h ILE 44 CO -0.51 0.00 0.60 0.25 -0.68 0.00 0.00 178.15 177.80 1ug7 h LEU 45 N -0.09 0.98 0.54 1.44 5.85 0.26 0.66 115.31 124.95 1ug7 h LEU 45 Ca 0.28 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1ug7 h LEU 45 Cb 0.57 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1ug7 h LEU 45 CO -0.82 0.66 -0.43 0.00 -0.34 0.00 0.00 178.44 177.51 1ug7 h ALA 46 N 1.40 -1.01 -0.73 1.25 0.00 1.00 0.19 119.26 121.36 1ug7 h ALA 46 Ca 0.38 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1ug7 h ALA 46 Cb 0.06 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1ug7 h ALA 46 CO -0.14 -1.10 0.49 0.00 0.00 0.00 0.00 179.25 178.50 1ug7 h ARG 47 N -0.95 0.47 -0.40 0.00 -0.00 0.27 0.23 114.38 114.01 1ug7 h ARG 47 Ca -0.06 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.30 1ug7 h ARG 47 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.65 1ug7 h ARG 47 CO 0.00 0.31 -0.10 0.45 0.00 0.00 0.00 179.97 180.63 1ug7 h HIS 48 N 0.49 0.76 0.62 3.04 3.86 0.08 -1.69 115.15 122.32 1ug7 h HIS 48 Ca 0.35 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1ug7 h HIS 48 Cb 0.70 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.97 1ug7 h HIS 48 CO -0.00 0.78 -0.30 -0.07 0.86 0.00 0.00 177.93 179.20 1ug7 h LEU 49 N 0.64 -0.71 -0.82 2.43 3.38 0.25 -3.10 115.31 117.38 1ug7 h LEU 49 Ca 0.11 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.26 1ug7 h LEU 49 Cb 0.55 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 1ug7 h LEU 49 CO 0.03 -0.34 0.22 1.56 0.09 0.00 0.00 178.44 180.00 1ug7 h GLN 50 N -1.12 0.25 -1.66 1.13 4.20 -1.19 0.76 115.11 117.49 1ug7 h GLN 50 Ca -0.09 -0.02 0.48 0.00 0.06 0.00 0.00 58.65 59.09 1ug7 h GLN 50 Cb 0.68 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 1ug7 h GLN 50 CO 0.14 0.17 1.29 -0.22 -0.67 0.00 0.00 178.83 179.53 1ug7 h LYS 51 N 0.26 0.00 0.07 1.46 1.63 -1.22 1.54 116.57 120.31 1ug7 h LYS 51 Ca 0.49 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.92 1ug7 h LYS 51 Cb 0.91 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.51 1ug7 h LYS 51 CO -0.58 0.00 -2.17 0.39 -3.45 0.00 0.00 179.45 173.65 1ug7 n GLU 52 N -3.84 0.71 -0.18 1.90 -0.58 0.26 -2.73 120.64 116.17 1ug7 n GLU 52 Ca 0.37 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1ug7 n GLU 52 Cb 1.79 -1.64 0.25 0.00 -0.57 0.00 0.00 31.44 31.27 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 0.00 1.43 -0.90 0.62 0.00 0.22 -2.51 119.26 118.11 1ug7 h ALA 53 Ca -0.49 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 1ug7 h ALA 53 Cb 1.95 -0.28 -0.40 0.00 0.00 0.00 0.00 17.79 19.06 1ug7 h ALA 53 CO 0.00 0.49 -0.52 0.00 0.00 0.00 0.00 179.25 179.23 1ug7 n GLN 54 N -4.39 3.44 -1.38 0.00 10.64 0.43 -4.55 117.38 121.56 1ug7 n GLN 54 Ca 0.07 -4.08 -0.52 0.00 -1.83 0.00 0.00 57.00 50.64 1ug7 n GLN 54 Cb 0.07 -2.28 -0.10 0.00 -0.86 0.00 0.00 30.24 27.08 1ug7 n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ug7 n ALA 55 N -0.70 0.62 -0.07 2.61 0.00 -0.95 -4.76 120.51 117.25 1ug7 n ALA 55 Ca 0.46 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 1ug7 n ALA 55 Cb 0.86 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ug7 n GLN 56 N 8.03 0.46 -0.05 0.00 -0.06 -1.26 -4.64 117.38 119.87 1ug7 n GLN 56 Ca 0.50 0.18 -0.08 0.00 -2.00 0.00 0.00 57.00 55.60 1ug7 n GLN 56 Cb 0.12 -1.31 -0.07 0.00 -4.06 0.00 0.00 30.24 24.92 1ug7 n GLN 56 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1ug7 h HIS 57 N -0.87 -0.03 -3.17 3.69 2.76 -1.93 -3.41 115.15 112.20 1ug7 h HIS 57 Ca -0.02 -0.00 -0.76 0.00 -2.20 0.00 0.00 60.37 57.39 1ug7 h HIS 57 Cb 0.89 0.01 -0.24 0.00 1.55 0.00 0.00 27.41 29.61 1ug7 h HIS 57 CO -0.36 0.49 -0.17 1.21 -1.30 0.00 0.00 177.93 177.80 1ug7 s ASN 58 N -5.85 6.26 0.34 3.26 2.47 -1.26 -4.91 114.94 115.24 1ug7 s ASN 58 Ca -0.10 -1.89 0.13 0.00 0.42 0.00 0.00 52.86 51.42 1ug7 s ASN 58 Cb -0.01 -2.21 1.00 0.00 -1.45 0.00 0.00 41.25 38.58 1ug7 s ASN 58 CO 0.38 -0.83 1.71 -0.55 -3.72 0.00 0.00 177.10 174.09 1ug7 h ASN 59 N 8.77 0.58 -3.99 -4.21 -1.07 -1.82 -3.43 115.58 110.41 1ug7 h ASN 59 Ca -0.25 0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.27 1ug7 h ASN 59 Cb 1.09 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1ug7 h ASN 59 CO 1.01 0.01 -0.17 -1.20 0.07 0.00 0.00 177.43 177.14 1ug7 n SER 60 N -4.91 -2.00 -2.83 6.14 7.64 -1.26 -4.63 113.62 111.76 1ug7 n SER 60 Ca 0.29 0.29 -0.31 0.00 1.01 0.00 0.00 58.87 60.15 1ug7 n SER 60 Cb 0.87 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.92 1ug7 n SER 60 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ug7 n GLU 61 N -1.33 3.20 -4.65 1.43 2.13 -1.26 -4.88 120.64 115.28 1ug7 n GLU 61 Ca 0.00 -2.56 -0.23 0.00 0.66 0.00 0.00 57.16 55.02 1ug7 n GLU 61 Cb 0.04 -2.34 -0.15 0.00 0.27 0.00 0.00 31.44 29.27 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ug7 s PHE 62 N -0.95 1.50 0.55 4.31 0.40 -1.26 -5.12 117.98 117.41 1ug7 s PHE 62 Ca 0.59 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.46 1ug7 s PHE 62 Cb 0.29 -0.93 -0.06 0.00 0.51 0.00 0.00 43.02 42.83 1ug7 s PHE 62 CO -0.14 0.02 0.99 -0.08 0.70 0.00 0.00 175.22 176.70 1ug7 s THR 63 N -0.59 4.63 0.09 0.64 -1.32 -1.26 -4.76 115.64 113.06 1ug7 s THR 63 Ca 0.06 1.02 -0.25 0.00 -1.21 0.00 0.00 61.69 61.30 1ug7 s THR 63 Cb -0.07 -3.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 1ug7 s THR 63 CO 0.00 -0.87 1.41 -0.33 -2.21 0.00 0.00 174.62 172.62 1ug7 h GLU 64 N 0.41 -0.39 -1.64 7.08 5.08 -2.00 0.76 114.58 123.88 1ug7 h GLU 64 Ca -0.46 0.03 0.49 0.00 -1.00 0.00 0.00 59.36 58.42 1ug7 h GLU 64 Cb 1.19 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.43 1ug7 h GLU 64 CO 0.62 -0.26 1.14 1.05 -1.00 0.00 0.00 179.01 180.56 1ug7 h GLU 65 N -0.40 0.03 0.00 2.33 4.11 -1.99 1.04 114.58 119.70 1ug7 h GLU 65 Ca 0.03 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1ug7 h GLU 65 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ug7 h GLU 65 CO -0.36 0.02 -0.19 1.96 0.07 0.00 0.00 179.01 180.51 1ug7 h GLN 66 N 0.03 0.00 -0.84 1.06 4.20 -0.61 -3.07 115.11 115.88 1ug7 h GLN 66 Ca 0.85 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.65 1ug7 h GLN 66 Cb 3.15 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 30.87 1ug7 h GLN 66 CO -0.16 0.97 0.55 0.87 -0.67 0.00 0.00 178.83 180.39 1ug7 h LYS 67 N -1.00 0.80 0.45 1.46 1.57 0.58 -0.99 116.57 119.44 1ug7 h LYS 67 Ca -0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1ug7 h LYS 67 Cb 1.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1ug7 h LYS 67 CO -0.03 0.53 -0.23 0.87 -0.57 0.00 0.00 179.45 180.01 1ug7 h LYS 68 N 0.82 -0.61 0.08 3.15 1.79 0.69 -2.29 116.57 120.21 1ug7 h LYS 68 Ca 0.39 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.92 1ug7 h LYS 68 Cb 0.40 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1ug7 h LYS 68 CO -0.15 -0.41 -0.45 1.15 -1.08 0.00 0.00 179.45 178.51 1ug7 h THR 69 N -0.63 0.11 -0.99 -0.16 2.02 -1.22 0.16 112.91 112.21 1ug7 h THR 69 Ca -0.06 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.46 1ug7 h THR 69 Cb 0.50 0.11 -0.18 0.00 -1.74 0.00 0.00 68.15 66.84 1ug7 h THR 69 CO 0.08 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.67 1ug7 h ILE 70 N -0.66 0.05 0.49 3.11 2.04 -1.12 0.32 117.51 121.75 1ug7 h ILE 70 Ca 0.02 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ug7 h ILE 70 Cb 0.70 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1ug7 h ILE 70 CO -0.28 0.01 -0.24 1.23 0.00 0.00 0.00 178.15 178.87 1ug7 h GLY 71 N 0.04 -0.69 -1.00 5.37 0.00 -0.46 -2.69 103.07 103.65 1ug7 h GLY 71 Ca 0.71 0.25 0.42 0.00 0.00 0.00 0.00 47.33 48.71 1ug7 h GLY 71 CO -0.82 -0.25 0.64 0.50 0.00 0.00 0.00 176.54 176.61 1ug7 h LYS 72 N -0.93 0.06 0.81 4.80 1.57 0.14 0.60 116.57 123.62 1ug7 h LYS 72 Ca -0.07 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1ug7 h LYS 72 Cb 0.60 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1ug7 h LYS 72 CO 0.11 0.04 -0.39 0.82 -0.57 0.00 0.00 179.45 179.46 1ug7 h ILE 73 N 0.06 0.10 -0.92 1.86 2.04 -0.97 -2.34 117.51 117.34 1ug7 h ILE 73 Ca 0.83 -0.15 0.26 0.00 1.00 0.00 0.00 64.86 66.81 1ug7 h ILE 73 Cb 2.29 0.11 -0.16 0.00 -0.74 0.00 0.00 36.82 38.33 1ug7 h ILE 73 CO -0.65 0.01 0.19 0.00 0.00 0.00 0.00 178.15 177.70 1ug7 h ALA 74 N -1.13 1.31 0.23 1.87 0.00 0.46 0.24 119.26 122.24 1ug7 h ALA 74 Ca -0.11 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ug7 h ALA 74 Cb 0.84 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1ug7 h ALA 74 CO 0.18 -0.55 -0.44 1.15 0.00 0.00 0.00 179.25 179.59 1ug7 h THR 75 N 0.12 0.12 -0.40 0.00 2.02 -0.87 -1.78 112.91 112.11 1ug7 h THR 75 Ca 0.59 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.85 1ug7 h THR 75 Cb 1.25 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.69 1ug7 h THR 75 CO -0.75 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 174.76 1ug7 n LEU 77 N -5.42 -0.65 -0.32 0.00 4.77 -0.41 0.58 117.00 115.55 1ug7 n LEU 77 Ca 0.00 1.43 0.03 0.00 -0.03 0.00 0.00 56.01 57.44 1ug7 n LEU 77 Cb 0.35 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1ug7 n LEU 77 CO 0.05 -1.06 0.55 -0.62 -1.33 0.00 0.00 177.39 174.99 1ug7 n GLU 78 N -4.39 -0.13 0.16 3.23 -0.58 -0.49 0.11 120.64 118.54 1ug7 n GLU 78 Ca 0.01 1.36 -0.14 0.00 -0.42 0.00 0.00 57.16 57.97 1ug7 n GLU 78 Cb 0.16 -2.03 -0.07 0.00 -0.57 0.00 0.00 31.44 28.93 1ug7 n GLU 78 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ug7 h LEU 79 N 0.00 -0.95 0.54 -4.62 -0.00 0.47 0.18 115.31 110.93 1ug7 h LEU 79 Ca 0.38 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 58.34 1ug7 h LEU 79 Cb 0.60 0.35 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1ug7 h LEU 79 CO -0.89 -0.44 -0.43 -0.09 -0.00 0.00 0.00 178.44 176.59 1ug7 h ARG 80 N -0.62 -0.90 -0.96 1.13 9.65 0.20 0.96 114.38 123.84 1ug7 h ARG 80 Ca 0.01 0.06 0.16 0.00 -1.10 0.00 0.00 59.98 59.11 1ug7 h ARG 80 Cb 0.61 0.20 -0.16 0.00 -1.39 0.00 0.00 29.97 29.23 1ug7 h ARG 80 CO -0.14 -0.60 -0.33 0.43 2.80 0.00 0.00 179.97 182.13 1ug7 n SER 81 N -5.04 -0.53 -0.04 -3.80 7.64 0.30 0.74 113.62 112.89 1ug7 n SER 81 Ca -0.11 1.66 -0.12 0.00 1.01 0.00 0.00 58.87 61.31 1ug7 n SER 81 Cb 0.41 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.52 0.17 -0.94 -0.43 0.00 -0.62 -2.92 119.26 116.04 1ug7 h ALA 82 Ca 0.38 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 82 Cb 0.61 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.20 1ug7 h ALA 82 CO -0.96 -0.16 -0.37 0.00 0.00 0.00 0.00 179.25 177.76 1ug7 h ALA 83 N 0.78 0.17 -0.43 0.00 0.00 0.70 1.14 119.26 121.62 1ug7 h ALA 83 Ca 0.04 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1ug7 h ALA 83 Cb 0.32 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1ug7 h ALA 83 CO 0.00 -0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 178.56 1ug7 h LEU 84 N -0.02 -0.20 -1.03 0.00 3.38 -0.72 0.10 115.31 116.82 1ug7 h LEU 84 Ca 0.34 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1ug7 h LEU 84 Cb 0.60 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1ug7 h LEU 84 CO -0.95 -0.06 0.66 1.56 0.09 0.00 0.00 178.44 179.74 1ug7 h GLN 85 N 0.10 1.30 -6.79 1.13 4.20 0.11 -3.41 115.11 111.74 1ug7 h GLN 85 Ca 0.21 -0.08 -0.51 0.00 0.06 0.00 0.00 58.65 58.34 1ug7 h GLN 85 Cb 0.31 -0.29 0.03 0.00 0.30 0.00 0.00 27.48 27.82 1ug7 h GLN 85 CO -0.36 0.86 0.52 0.45 -0.67 0.00 0.00 178.83 179.62 1ug7 s SER 86 N -6.12 7.15 -0.45 1.46 0.15 0.27 -4.98 113.70 111.17 1ug7 s SER 86 Ca -0.13 2.33 0.07 0.00 0.70 0.00 0.00 55.95 58.92 1ug7 s SER 86 Cb 0.18 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 62.11 1ug7 s SER 86 CO 0.82 -0.26 0.74 0.41 1.20 0.00 0.00 173.24 176.15 1ug7 n THR 87 N 1.42 -0.27 -2.71 6.45 -1.04 -1.26 -4.85 114.28 112.00 1ug7 n THR 87 Ca 0.00 -2.42 -0.03 0.00 -2.04 0.00 0.00 64.05 59.57 1ug7 n THR 87 Cb 0.44 0.19 0.03 0.00 -1.82 0.00 0.00 70.33 69.17 1ug7 n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1ug7 s GLN 88 N 0.02 0.42 -0.66 -2.82 -0.21 -1.26 -5.02 119.66 110.12 1ug7 s GLN 88 Ca 0.33 -0.39 -0.14 0.00 0.02 0.00 0.00 55.36 55.18 1ug7 s GLN 88 Cb 0.20 -0.01 0.02 0.00 1.00 0.00 0.00 33.01 34.22 1ug7 s GLN 88 CO -0.19 -0.52 0.60 0.43 -2.12 0.00 0.00 175.29 173.49 1ug7 n SER 89 N 2.81 -4.85 -4.88 5.90 7.64 -1.26 -4.96 113.62 114.01 1ug7 n SER 89 Ca 0.12 -0.66 -0.24 0.00 1.01 0.00 0.00 58.87 59.10 1ug7 n SER 89 Cb 0.63 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 1ug7 n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ug7 s GLN 90 N -3.95 2.32 -0.43 1.43 0.00 -1.26 -5.09 119.66 112.68 1ug7 s GLN 90 Ca 0.14 -1.86 0.07 0.00 -0.00 0.00 0.00 55.36 53.71 1ug7 s GLN 90 Cb -0.01 -2.18 0.26 0.00 0.00 0.00 0.00 33.01 31.08 1ug7 s GLN 90 CO 0.86 -0.47 0.74 -1.91 0.00 0.00 0.00 175.29 174.51 1ug7 n GLU 91 N -1.67 0.79 0.00 9.60 2.13 -1.26 -5.12 120.64 125.11 1ug7 n GLU 91 Ca 0.01 -2.55 0.00 0.00 0.66 0.00 0.00 57.16 55.27 1ug7 n GLU 91 Cb 0.64 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 31.00 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 1.29 3.95 -2.61 5.31 -0.58 -1.26 -5.09 120.64 121.64 1ug7 n GLU 92 Ca 0.15 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.51 1ug7 n GLU 92 Cb 0.60 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.42 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1ug7 s PHE 93 N 2.40 3.64 0.00 -0.32 5.36 -1.26 -5.02 117.98 122.79 1ug7 s PHE 93 Ca 0.00 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1ug7 s PHE 93 Cb 0.00 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.57 1ug7 s PHE 93 CO 0.00 -0.18 0.00 0.36 -1.46 0.00 0.00 175.22 173.95 1ug7 n LYS 94 N 0.91 1.31 0.09 10.12 2.85 -1.26 -4.46 118.16 127.71 1ug7 n LYS 94 Ca 0.00 -0.03 -0.05 0.00 -1.05 0.00 0.00 58.31 57.19 1ug7 n LYS 94 Cb 0.47 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.83 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 -0.27 -0.85 -5.58 5.85 -1.98 -2.58 115.31 109.91 1ug7 h LEU 95 Ca -0.00 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.93 1ug7 h LEU 95 Cb 0.01 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 40.96 1ug7 h LEU 95 CO 0.00 0.19 0.04 1.05 -0.34 0.00 0.00 178.44 179.39 1ug7 h GLU 96 N -1.09 0.09 -0.80 1.25 4.11 -1.97 2.35 114.58 118.52 1ug7 h GLU 96 Ca -0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ug7 h GLU 96 Cb 0.25 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1ug7 h GLU 96 CO 0.05 0.06 0.49 -0.44 0.07 0.00 0.00 179.01 179.24 1ug7 h ASP 97 N 0.09 0.95 -0.04 3.06 3.32 -1.97 -1.14 116.42 120.68 1ug7 h ASP 97 Ca 0.49 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.41 1ug7 h ASP 97 Cb 0.93 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.24 1ug7 h ASP 97 CO -0.75 0.72 -0.31 0.25 -1.72 0.00 0.00 179.24 177.43 1ug7 h LEU 98 N 1.09 0.34 -2.00 1.55 5.85 0.21 -2.97 115.31 119.38 1ug7 h LEU 98 Ca 0.29 -0.69 0.06 0.00 0.84 0.00 0.00 57.88 58.37 1ug7 h LEU 98 Cb -0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1ug7 h LEU 98 CO -0.06 0.98 0.38 0.11 -0.34 0.00 0.00 178.44 179.52 1ug7 h LYS 99 N -0.27 0.00 0.00 1.25 1.57 0.37 1.66 116.57 121.15 1ug7 h LYS 99 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ug7 h LYS 99 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1ug7 h LYS 99 CO 0.06 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.57 1ug7 n LYS 100 N -3.35 0.26 0.00 3.15 4.76 -0.47 -1.19 118.16 121.32 1ug7 n LYS 100 Ca 0.03 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1ug7 n LYS 100 Cb 0.49 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.22 1ug7 n LYS 100 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ug7 n LEU 101 N -1.28 2.23 -0.02 -0.35 4.77 0.57 -3.78 117.00 119.13 1ug7 n LEU 101 Ca 0.09 -0.80 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 1ug7 n LEU 101 Cb 0.14 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1ug7 n LEU 101 CO 0.14 0.40 0.55 -0.08 -1.33 0.00 0.00 177.39 177.07 1ug7 h GLU 102 N 2.94 -0.02 -0.01 3.23 4.22 -1.20 -2.85 114.58 120.89 1ug7 h GLU 102 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 1ug7 h GLU 102 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1ug7 h GLU 102 CO 0.00 0.60 -0.21 -1.00 -2.18 0.00 0.00 179.01 176.22 1ug7 h PRO 103 N -0.65 0.17 -0.69 0.92 0.13 -1.75 -3.22 132.00 126.91 1ug7 h PRO 103 Ca -0.00 -0.16 0.13 0.00 -0.87 0.00 0.00 66.00 65.10 1ug7 h PRO 103 Cb 0.63 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 31.67 1ug7 h PRO 103 CO 0.00 0.87 -0.23 0.82 -0.23 0.00 0.00 178.00 179.23 1ug7 h ILE 104 N -0.48 0.24 -0.89 -3.56 2.04 -1.70 1.80 117.51 114.96 1ug7 h ILE 104 Ca -0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.02 1ug7 h ILE 104 Cb 0.94 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1ug7 h ILE 104 CO 0.04 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.70 1ug7 h LEU 105 N -0.05 0.46 0.18 1.44 3.38 -1.57 1.64 115.31 120.78 1ug7 h LEU 105 Ca 0.31 0.04 -0.31 0.00 0.09 0.00 0.00 57.88 58.01 1ug7 h LEU 105 Cb 0.54 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ug7 h LEU 105 CO -0.73 0.20 -1.35 0.11 0.09 0.00 0.00 178.44 176.75 1ug7 h LYS 106 N 0.47 0.46 -0.63 1.13 1.57 0.19 -3.12 116.57 116.63 1ug7 h LYS 106 Ca 0.46 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ug7 h LYS 106 Cb 1.05 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1ug7 h LYS 106 CO -0.18 1.35 0.00 0.09 -0.57 0.00 0.00 179.45 180.14 1ug7 n ASN 107 N -3.67 2.56 0.03 0.86 3.02 0.50 -4.14 115.26 114.43 1ug7 n ASN 107 Ca -0.13 -2.25 0.20 0.00 -0.03 0.00 0.00 54.58 52.37 1ug7 n ASN 107 Cb 1.05 -0.44 0.72 0.00 -0.61 0.00 0.00 39.78 40.50 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 1.80 0.62 0.07 2.41 1.08 0.23 0.58 117.51 124.30 1ug7 h ILE 108 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.36 1ug7 h ILE 108 Cb 0.88 0.72 0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1ug7 h ILE 108 CO 0.13 0.00 -0.52 -0.07 -0.69 0.00 0.00 178.15 177.00 1ug7 h LEU 109 N 0.00 0.23 -3.35 1.44 3.38 -1.83 -3.30 115.31 111.88 1ug7 h LEU 109 Ca 0.23 -0.94 -0.35 0.00 0.09 0.00 0.00 57.88 56.91 1ug7 h LEU 109 Cb 1.00 -0.08 -0.18 0.00 0.09 0.00 0.00 40.66 41.50 1ug7 h LEU 109 CO -0.00 1.24 0.44 1.07 0.09 0.00 0.00 178.44 181.28 1ug7 n THR 110 N -4.34 2.57 -2.82 0.22 5.66 -0.13 -4.92 114.28 110.53 1ug7 n THR 110 Ca -0.14 -1.46 -0.42 0.00 -3.05 0.00 0.00 64.05 58.99 1ug7 n THR 110 Cb 0.67 -0.93 -0.03 0.00 -1.55 0.00 0.00 70.33 68.49 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 -2.08 3.50 -0.38 1.09 5.04 0.18 -4.92 117.35 119.78 1ug7 s TYR 111 Ca 0.36 1.42 0.06 0.00 -2.44 0.00 0.00 57.07 56.47 1ug7 s TYR 111 Cb 0.29 -3.06 0.63 0.00 0.35 0.00 0.00 41.96 40.17 1ug7 s TYR 111 CO 0.04 -0.17 1.77 0.09 -1.34 0.00 0.00 175.55 175.94 1ug7 n ASN 112 N 4.82 4.06 -0.81 4.32 4.13 -1.26 -5.04 115.26 125.48 1ug7 n ASN 112 Ca 0.05 -3.28 0.11 0.00 1.68 0.00 0.00 54.58 53.14 1ug7 n ASN 112 Cb 0.49 -0.77 -0.03 0.00 -1.54 0.00 0.00 39.78 37.94 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ug7 n LYS 113 N -0.58 -1.61 -1.48 3.52 5.02 -1.26 -4.98 118.16 116.78 1ug7 n LYS 113 Ca 0.46 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.81 1ug7 n LYS 113 Cb 1.43 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 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 -2.58 0.00 -1.71 1.97 2.13 -1.26 -5.00 120.64 114.20 1ug7 n GLU 114 Ca 0.01 0.49 -0.40 0.00 0.66 0.00 0.00 57.16 57.92 1ug7 n GLU 114 Cb 0.36 -1.48 0.03 0.00 0.27 0.00 0.00 31.44 30.62 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ug7 n PHE 115 N -0.75 2.10 0.54 4.31 7.35 -1.26 -4.88 117.46 124.87 1ug7 n PHE 115 Ca 0.00 0.47 0.12 0.00 -0.76 0.00 0.00 57.45 57.28 1ug7 n PHE 115 Cb 0.26 -2.36 0.45 0.00 0.35 0.00 0.00 39.48 38.18 1ug7 n PHE 115 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ug7 n PRO 116 N -0.41 0.21 -4.32 -7.13 -0.04 -1.26 -4.76 135.00 117.29 1ug7 n PRO 116 Ca 0.08 0.30 -0.28 0.00 -0.04 0.00 0.00 63.50 63.56 1ug7 n PRO 116 Cb 0.42 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 1ug7 n PRO 116 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ug7 s PHE 117 N -3.19 2.52 -1.27 0.54 0.08 -1.26 -5.03 117.98 110.38 1ug7 s PHE 117 Ca 0.08 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 1ug7 s PHE 117 Cb 0.11 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1ug7 s PHE 117 CO 0.49 0.45 2.20 -0.25 -0.10 0.00 0.00 175.22 178.01 1ug7 n ASP 118 N 0.43 3.95 -4.12 1.36 8.00 -1.26 -4.85 116.55 120.06 1ug7 n ASP 118 Ca -0.13 -2.75 -0.27 0.00 0.71 0.00 0.00 54.79 52.34 1ug7 n ASP 118 Cb 0.54 -1.48 -0.17 0.00 -0.02 0.00 0.00 41.12 40.00 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 3.61 1.53 0.43 2.53 -7.23 -1.26 -5.12 120.40 114.88 1ug7 s VAL 119 Ca 0.51 -0.73 -0.06 0.00 -1.81 0.00 0.00 61.98 59.90 1ug7 s VAL 119 Cb 0.14 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1ug7 s VAL 119 CO -0.03 0.44 0.73 -1.10 -0.31 0.00 0.00 175.10 174.83 1ug7 s GLN 120 N 0.35 3.59 0.14 4.82 -0.21 -1.26 -4.89 119.66 122.21 1ug7 s GLN 120 Ca -0.12 0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.13 1ug7 s GLN 120 Cb -0.15 -2.44 -0.07 0.00 1.00 0.00 0.00 33.01 31.35 1ug7 s GLN 120 CO 0.05 -0.08 1.13 -1.25 -2.12 0.00 0.00 175.29 173.02 1ug7 s PRO 121 N -4.38 4.54 0.00 2.91 0.04 -1.26 -4.12 135.00 132.73 1ug7 s PRO 121 Ca 0.47 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ug7 s PRO 121 Cb -0.10 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ug7 s PRO 121 CO 0.39 -0.03 0.00 -0.89 0.04 0.00 0.00 177.00 176.51 1ug7 n ILE 122 N 2.81 0.00 -1.45 0.56 2.08 -1.26 -4.47 119.36 117.62 1ug7 n ILE 122 Ca 0.04 0.40 -0.57 0.00 0.56 0.00 0.00 62.75 63.19 1ug7 n ILE 122 Cb 0.46 -1.00 -0.07 0.00 -0.75 0.00 0.00 39.64 38.28 1ug7 n ILE 122 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1ug7 n SER 123 N 0.00 -0.09 0.00 4.38 3.41 -1.26 -4.93 113.62 115.13 1ug7 n SER 123 Ca 0.00 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1ug7 n SER 123 Cb 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1ug7 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ug7 n GLY 124 N 1.49 2.50 3.49 5.00 0.00 -1.26 -4.99 105.19 111.42 1ug7 n GLY 124 Ca 0.19 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1ug7 n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug7 n PRO 125 N 0.00 2.37 -3.41 1.61 -0.04 -1.26 -4.76 135.00 129.51 1ug7 n PRO 125 Ca 0.00 -2.78 -0.22 0.00 -0.04 0.00 0.00 63.50 60.46 1ug7 n PRO 125 Cb 0.00 -3.54 -0.10 0.00 -0.04 0.00 0.00 33.50 29.82 1ug7 n PRO 125 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug7 s SER 126 N 5.16 1.97 -0.08 3.54 0.15 -1.26 -5.11 113.70 118.07 1ug7 s SER 126 Ca 0.60 -1.72 -0.30 0.00 0.70 0.00 0.00 55.95 55.23 1ug7 s SER 126 Cb 0.04 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1ug7 s SER 126 CO 0.10 -0.30 1.59 -0.44 1.20 0.00 0.00 173.24 175.39 1ug7 s SER 127 N 1.41 6.70 0.00 5.45 0.01 -1.26 -5.16 113.70 120.85 1ug7 s SER 127 Ca 0.16 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1ug7 s SER 127 Cb -0.18 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1ug7 s SER 127 CO -0.06 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.29