#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 3.67 0.01 1.61 1.04 -1.26 -5.12 113.70 113.66 1ug7 s SER 2 Ca 0.00 -1.39 -0.01 0.00 0.48 0.00 0.00 55.95 55.04 1ug7 s SER 2 Cb 0.00 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 1ug7 s SER 2 CO 0.00 -0.43 -0.01 -0.94 0.98 0.00 0.00 173.24 172.84 1ug7 s SER 3 N 1.94 0.15 0.00 7.02 1.04 -1.26 -5.13 113.70 117.47 1ug7 s SER 3 Ca 0.09 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1ug7 s SER 3 Cb -0.16 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1ug7 s SER 3 CO -0.33 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1ug7 n GLY 4 N 2.02 1.89 3.53 7.32 0.00 -1.26 -5.14 105.19 113.56 1ug7 n GLY 4 Ca -0.20 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 0.31 -4.50 1.61 2.88 -1.26 -4.83 113.62 107.83 1ug7 n SER 5 Ca 0.00 1.05 -0.43 0.00 -1.33 0.00 0.00 58.87 58.16 1ug7 n SER 5 Cb 0.00 -1.21 -0.02 0.00 -0.75 0.00 0.00 64.21 62.23 1ug7 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug7 s SER 6 N -0.78 6.74 0.00 -3.46 0.01 -1.26 -4.80 113.70 110.14 1ug7 s SER 6 Ca 0.62 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1ug7 s SER 6 Cb -0.65 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.11 1ug7 s SER 6 CO 0.58 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1ug7 n GLY 7 N 5.49 4.05 3.75 3.44 0.00 -1.19 -4.60 105.19 116.13 1ug7 n GLY 7 Ca 0.33 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ug7 s MET 8 N 4.77 4.30 -0.39 1.61 1.75 -1.26 -4.55 119.30 125.53 1ug7 s MET 8 Ca 0.00 2.24 0.10 0.00 -1.25 0.00 0.00 55.69 56.79 1ug7 s MET 8 Cb 0.00 -3.12 0.32 0.00 2.84 0.00 0.00 34.83 34.87 1ug7 s MET 8 CO 0.00 -0.35 0.71 0.45 -0.65 0.00 0.00 175.02 175.18 1ug7 n SER 9 N 2.15 0.28 0.00 1.11 2.88 -1.26 -4.98 113.62 113.79 1ug7 n SER 9 Ca 0.06 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 1ug7 n SER 9 Cb 0.41 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.63 0.00 -0.33 -1.46 2.13 -1.26 -3.92 120.64 116.43 1ug7 n GLU 10 Ca 0.22 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.25 1ug7 n GLU 10 Cb 0.63 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.74 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1ug7 h VAL 11 N 0.00 0.06 -0.17 6.31 -1.51 -1.99 1.02 116.25 119.98 1ug7 h VAL 11 Ca 0.00 -0.02 0.04 0.00 -1.23 0.00 0.00 66.70 65.49 1ug7 h VAL 11 Cb 0.00 0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.14 1ug7 h VAL 11 CO 0.00 0.01 -0.07 0.74 -1.23 0.00 0.00 177.57 177.02 1ug7 h THR 12 N 0.05 0.77 -0.86 7.19 2.02 -1.94 0.32 112.91 120.46 1ug7 h THR 12 Ca 0.68 0.00 0.14 0.00 0.77 0.00 0.00 66.41 68.01 1ug7 h THR 12 Cb 1.58 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1ug7 h THR 12 CO -0.83 0.00 0.56 -0.09 0.37 0.00 0.00 175.52 175.53 1ug7 h ARG 13 N -0.04 0.61 0.00 6.66 2.43 0.72 0.50 114.38 125.26 1ug7 h ARG 13 Ca 0.09 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1ug7 h ARG 13 Cb 0.18 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1ug7 h ARG 13 CO -0.20 0.40 -0.42 0.77 -1.51 0.00 0.00 179.97 179.01 1ug7 h SER 14 N 0.62 0.00 0.33 -3.80 0.02 -0.14 -3.04 113.55 107.53 1ug7 h SER 14 Ca 0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1ug7 h SER 14 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1ug7 h SER 14 CO -0.18 0.42 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.70 1ug7 h LEU 15 N 0.00 -0.37 -1.59 5.07 3.38 0.19 0.41 115.31 122.40 1ug7 h LEU 15 Ca -0.00 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.31 1ug7 h LEU 15 Cb 0.96 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1ug7 h LEU 15 CO 0.05 -0.06 1.05 -0.07 0.09 0.00 0.00 178.44 179.51 1ug7 h LEU 16 N -0.85 0.00 0.00 1.67 3.38 -1.18 0.71 115.31 119.04 1ug7 h LEU 16 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ug7 h LEU 16 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ug7 h LEU 16 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1ug7 n GLN 17 N -3.63 0.00 -0.46 1.13 1.13 -1.15 -2.76 117.38 111.64 1ug7 n GLN 17 Ca 0.25 0.36 0.38 0.00 -1.94 0.00 0.00 57.00 56.05 1ug7 n GLN 17 Cb 1.41 -0.86 0.67 0.00 0.11 0.00 0.00 30.24 31.57 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 0.09 0.15 -1.09 -0.00 0.79 0.33 114.38 114.66 1ug7 h ARG 18 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1ug7 h ARG 18 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1ug7 h ARG 18 CO 0.00 0.06 -0.07 -1.49 -0.00 0.00 0.00 179.97 178.47 1ug7 h TRP 19 N 0.09 -0.19 -1.38 4.08 6.55 0.23 -2.50 115.95 122.84 1ug7 h TRP 19 Ca 0.80 -0.00 0.41 0.00 0.95 0.00 0.00 58.89 61.05 1ug7 h TRP 19 Cb 2.62 0.06 -0.09 0.00 -0.86 0.00 0.00 29.16 30.89 1ug7 h TRP 19 CO -0.00 -0.12 0.94 0.78 -1.05 0.00 0.00 178.44 178.99 1ug7 h GLY 20 N -0.29 0.69 1.01 1.49 0.00 -0.67 1.44 103.07 106.74 1ug7 h GLY 20 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1ug7 h GLY 20 CO 0.03 -0.17 0.31 0.00 0.00 0.00 0.00 176.54 176.71 1ug7 h ALA 21 N 1.43 0.89 0.38 3.60 0.00 -0.37 -1.22 119.26 123.97 1ug7 h ALA 21 Ca 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1ug7 h ALA 21 Cb 2.56 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1ug7 h ALA 21 CO -0.21 0.48 -0.21 0.77 0.00 0.00 0.00 179.25 180.08 1ug7 h SER 22 N 0.96 -0.51 -0.68 0.00 0.02 0.24 -0.20 113.55 113.39 1ug7 h SER 22 Ca 0.23 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.29 1ug7 h SER 22 Cb 0.16 0.14 -0.11 0.00 0.14 0.00 0.00 62.40 62.73 1ug7 h SER 22 CO -0.02 -0.33 -0.52 0.25 -1.14 0.00 0.00 176.83 175.06 1ug7 h LEU 23 N -0.54 -1.82 -0.33 5.07 5.85 -1.47 0.91 115.31 122.97 1ug7 h LEU 23 Ca -0.05 0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1ug7 h LEU 23 Cb 0.43 0.80 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1ug7 h LEU 23 CO 0.07 -0.32 -0.33 0.03 -0.34 0.00 0.00 178.44 177.54 1ug7 h ARG 24 N -0.20 -0.17 -0.33 1.25 2.47 -1.17 -0.68 114.38 115.55 1ug7 h ARG 24 Ca 0.15 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.96 1ug7 h ARG 24 Cb 0.53 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.82 1ug7 h ARG 24 CO -0.76 -0.11 -0.15 -0.09 0.56 0.00 0.00 179.97 179.42 1ug7 h ARG 25 N -0.17 -0.09 -1.40 0.04 2.43 0.23 0.19 114.38 115.61 1ug7 h ARG 25 Ca 0.06 0.01 0.41 0.00 -0.81 0.00 0.00 59.98 59.64 1ug7 h ARG 25 Cb 0.32 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1ug7 h ARG 25 CO -0.41 -0.06 1.09 0.78 -1.51 0.00 0.00 179.97 179.87 1ug7 h GLY 26 N -0.10 0.00 0.00 2.80 0.00 0.22 0.60 103.07 106.60 1ug7 h GLY 26 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ug7 h GLY 26 CO -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.13 1ug7 h ALA 27 N 1.12 0.00 -0.87 3.60 0.00 0.53 -2.91 119.26 120.74 1ug7 h ALA 27 Ca 0.66 -0.49 0.21 0.00 0.00 0.00 0.00 54.91 55.29 1ug7 h ALA 27 Cb 2.84 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 20.48 1ug7 h ALA 27 CO -0.01 0.01 -0.05 -0.44 0.00 0.00 0.00 179.25 178.76 1ug7 h ASP 28 N -1.00 -0.52 0.87 0.00 5.19 0.79 0.64 116.42 122.38 1ug7 h ASP 28 Ca -0.00 0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 1ug7 h ASP 28 Cb 0.97 0.45 0.01 0.00 0.18 0.00 0.00 39.33 40.94 1ug7 h ASP 28 CO -0.00 -0.27 -0.42 -0.26 -3.12 0.00 0.00 179.24 175.17 1ug7 h PHE 29 N 0.05 -1.08 -0.35 4.55 0.04 -1.40 -2.53 116.94 116.21 1ug7 h PHE 29 Ca 0.48 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.28 1ug7 h PHE 29 Cb 0.87 0.36 -0.08 0.00 2.20 0.00 0.00 35.95 39.30 1ug7 h PHE 29 CO -0.52 -0.67 -0.52 -0.44 -0.60 0.00 0.00 178.31 175.56 1ug7 h ASP 30 N -1.28 -1.71 0.00 2.17 3.32 -0.90 0.66 116.42 118.69 1ug7 h ASP 30 Ca -0.12 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ug7 h ASP 30 Cb 0.89 0.70 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1ug7 h ASP 30 CO 0.20 -0.41 0.00 -1.20 -1.72 0.00 0.00 179.24 176.10 1ug7 n SER 31 N -5.40 0.00 0.00 6.45 7.64 0.21 -2.21 113.62 120.31 1ug7 n SER 31 Ca -0.03 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1ug7 n SER 31 Cb 0.35 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ug7 n SER 31 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1ug7 n TRP 32 N -2.34 0.00 0.00 1.43 8.01 -0.96 -4.84 117.44 118.74 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 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 28.91 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 -0.97 0.00 2.79 6.99 0.00 0.86 -5.09 105.19 109.78 1ug7 n GLY 33 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ug7 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ug7 n GLN 34 N 0.00 2.98 0.06 1.61 1.13 0.19 -4.87 117.38 118.48 1ug7 n GLN 34 Ca 0.00 -4.58 -0.13 0.00 -1.94 0.00 0.00 57.00 50.35 1ug7 n GLN 34 Cb 0.00 -2.36 -0.08 0.00 0.11 0.00 0.00 30.24 27.91 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 5.06 -0.08 0.00 1.08 3.38 -1.88 0.58 115.31 123.45 1ug7 h LEU 35 Ca 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ug7 h LEU 35 Cb 0.70 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1ug7 h LEU 35 CO 0.95 0.11 -0.10 0.58 0.09 0.00 0.00 178.44 180.07 1ug7 h VAL 36 N -0.27 0.00 -0.93 1.22 2.07 -1.98 1.12 116.25 117.48 1ug7 h VAL 36 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 1ug7 h VAL 36 Cb 0.24 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 1ug7 h VAL 36 CO 0.02 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.82 1ug7 h GLU 37 N -0.13 0.78 0.35 1.57 3.07 -1.97 -1.23 114.58 117.01 1ug7 h GLU 37 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1ug7 h GLU 37 Cb 0.14 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1ug7 h GLU 37 CO -0.07 0.52 -0.26 0.00 -1.40 0.00 0.00 179.01 177.80 1ug7 h ALA 38 N 1.56 -1.04 -0.81 3.43 0.00 0.11 -0.83 119.26 121.68 1ug7 h ALA 38 Ca 0.49 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1ug7 h ALA 38 Cb 0.62 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1ug7 h ALA 38 CO -0.32 -1.03 -0.56 0.82 0.00 0.00 0.00 179.25 178.16 1ug7 h ILE 39 N -0.58 0.01 -0.86 0.00 2.04 0.18 0.31 117.51 118.60 1ug7 h ILE 39 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.94 1ug7 h ILE 39 Cb 0.48 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.43 1ug7 h ILE 39 CO 0.02 0.00 -0.42 -0.78 0.00 0.00 0.00 178.15 176.97 1ug7 h ASP 40 N -0.13 -1.53 -0.01 1.72 3.58 -1.09 0.25 116.42 119.21 1ug7 h ASP 40 Ca 0.15 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1ug7 h ASP 40 Cb 0.48 0.75 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 1ug7 h ASP 40 CO -0.83 -0.29 -0.03 -0.08 -2.88 0.00 0.00 179.24 175.13 1ug7 h GLU 41 N -0.07 -0.03 -0.16 0.28 4.57 0.11 0.20 114.58 119.47 1ug7 h GLU 41 Ca 0.27 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1ug7 h GLU 41 Cb 0.56 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1ug7 h GLU 41 CO -0.88 -0.02 -0.15 1.88 -1.18 0.00 0.00 179.01 178.66 1ug7 h TYR 42 N -0.03 -0.46 -0.55 0.92 0.05 -0.15 0.33 116.97 117.08 1ug7 h TYR 42 Ca 0.00 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1ug7 h TYR 42 Cb 0.04 0.22 -0.07 0.00 1.01 0.00 0.00 36.73 37.93 1ug7 h TYR 42 CO -0.45 -0.12 -0.32 1.04 -1.05 0.00 0.00 178.16 177.26 1ug7 n GLN 43 N -3.46 -0.24 -0.28 4.88 6.02 0.78 0.95 117.38 126.04 1ug7 n GLN 43 Ca -0.00 1.23 -0.10 0.00 -0.01 0.00 0.00 57.00 58.12 1ug7 n GLN 43 Cb 0.08 -1.83 -0.08 0.00 1.02 0.00 0.00 30.24 29.43 1ug7 n GLN 43 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ug7 h ILE 44 N 0.00 0.00 -0.95 5.09 5.03 0.00 1.60 117.51 128.27 1ug7 h ILE 44 Ca 0.09 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 65.04 1ug7 h ILE 44 Cb 0.23 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.94 1ug7 h ILE 44 CO -0.52 0.00 0.62 0.25 -0.68 0.00 0.00 178.15 177.82 1ug7 h LEU 45 N -0.09 0.47 -0.12 1.44 5.85 0.12 0.25 115.31 123.23 1ug7 h LEU 45 Ca 0.11 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ug7 h LEU 45 Cb 0.37 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ug7 h LEU 45 CO -0.68 0.16 0.05 0.00 -0.34 0.00 0.00 178.44 177.64 1ug7 h ALA 46 N 1.61 0.15 -0.15 1.25 0.00 0.89 -0.78 119.26 122.22 1ug7 h ALA 46 Ca 0.51 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1ug7 h ALA 46 Cb 1.22 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1ug7 h ALA 46 CO -0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 179.25 178.72 1ug7 h ARG 47 N 0.06 0.02 -0.01 0.00 3.08 0.32 -2.40 114.38 115.45 1ug7 h ARG 47 Ca 0.04 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1ug7 h ARG 47 Cb 0.13 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1ug7 h ARG 47 CO -0.00 0.01 -0.32 0.45 -1.07 0.00 0.00 179.97 179.04 1ug7 h HIS 48 N 0.02 -0.87 -0.92 3.04 3.86 -0.91 -1.94 115.15 117.44 1ug7 h HIS 48 Ca 0.07 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.43 1ug7 h HIS 48 Cb 0.10 0.38 -0.14 0.00 1.06 0.00 0.00 27.41 28.82 1ug7 h HIS 48 CO -0.17 -0.41 -0.47 -0.07 0.86 0.00 0.00 177.93 177.67 1ug7 h LEU 49 N -0.46 -1.70 -0.68 2.43 3.38 -0.79 0.67 115.31 118.15 1ug7 h LEU 49 Ca 0.06 0.31 0.14 0.00 0.09 0.00 0.00 57.88 58.48 1ug7 h LEU 49 Cb 0.55 0.81 -0.12 0.00 0.09 0.00 0.00 40.66 41.99 1ug7 h LEU 49 CO -0.27 -0.28 -0.09 1.56 0.09 0.00 0.00 178.44 179.46 1ug7 h GLN 50 N -0.05 0.05 -1.83 1.13 4.20 -0.89 0.80 115.11 118.53 1ug7 h GLN 50 Ca 0.25 -0.00 0.53 0.00 0.06 0.00 0.00 58.65 59.49 1ug7 h GLN 50 Cb 0.53 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 1ug7 h GLN 50 CO -0.91 0.03 1.37 -0.22 -0.67 0.00 0.00 178.83 178.42 1ug7 h LYS 51 N 0.05 0.00 0.06 1.46 1.63 0.94 1.86 116.57 122.56 1ug7 h LYS 51 Ca 0.34 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.77 1ug7 h LYS 51 Cb 0.56 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.14 1ug7 h LYS 51 CO -0.65 0.00 -2.20 0.39 -3.45 0.00 0.00 179.45 173.55 1ug7 n GLU 52 N -3.88 0.70 0.00 1.90 1.02 0.26 -3.72 120.64 116.93 1ug7 n GLU 52 Ca 0.41 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.63 1ug7 n GLU 52 Cb 1.92 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 31.63 1ug7 n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug7 h ALA 53 N 0.17 0.04 -0.69 0.62 0.00 0.38 -2.82 119.26 116.96 1ug7 h ALA 53 Ca -0.48 -0.11 -0.50 0.00 0.00 0.00 0.00 54.91 53.82 1ug7 h ALA 53 Cb 1.99 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 19.57 1ug7 h ALA 53 CO 0.01 -0.35 0.61 0.00 0.00 0.00 0.00 179.25 179.52 1ug7 n GLN 54 N -4.96 2.26 -3.23 0.00 10.64 0.51 -4.60 117.38 118.01 1ug7 n GLN 54 Ca -0.07 -2.40 -0.27 0.00 -1.83 0.00 0.00 57.00 52.43 1ug7 n GLN 54 Cb 0.13 -1.97 -0.06 0.00 -0.86 0.00 0.00 30.24 27.47 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 -0.00 4.34 0.14 2.61 0.00 -1.07 -4.88 120.51 121.64 1ug7 n ALA 55 Ca 0.45 -4.75 -0.06 0.00 0.00 0.00 0.00 53.44 49.08 1ug7 n ALA 55 Cb 0.56 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 3.75 -0.36 -2.01 0.00 4.15 -1.85 -3.40 115.11 115.40 1ug7 h GLN 56 Ca 0.18 0.02 -0.54 0.00 0.77 0.00 0.00 58.65 59.08 1ug7 h GLN 56 Cb 0.60 0.08 -0.39 0.00 0.21 0.00 0.00 27.48 27.97 1ug7 h GLN 56 CO 0.84 -0.24 -1.11 0.72 -1.93 0.00 0.00 178.83 177.11 1ug7 n HIS 57 N -3.07 -0.10 0.00 3.99 8.25 -1.26 -4.86 115.22 118.18 1ug7 n HIS 57 Ca -0.05 -3.64 0.00 0.00 -0.26 0.00 0.00 57.72 53.77 1ug7 n HIS 57 Cb 0.15 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1ug7 n HIS 57 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ug7 n ASN 58 N 1.12 0.00 -0.92 0.41 5.15 -1.26 -5.16 115.26 114.60 1ug7 n ASN 58 Ca 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1ug7 n ASN 58 Cb 0.56 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 1ug7 n ASN 58 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1ug7 n ASN 59 N -2.29 0.00 -0.56 1.20 5.15 -1.26 -5.15 115.26 112.35 1ug7 n ASN 59 Ca 0.00 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1ug7 n ASN 59 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ug7 n ASN 59 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ug7 n SER 60 N -0.82 -3.82 -0.80 1.20 2.88 -1.26 -4.76 113.62 106.24 1ug7 n SER 60 Ca 0.00 0.43 0.02 0.00 -1.33 0.00 0.00 58.87 57.99 1ug7 n SER 60 Cb 0.00 -0.97 0.20 0.00 -0.75 0.00 0.00 64.21 62.69 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 -0.74 1.78 -3.76 -1.46 -0.58 -1.26 -5.02 120.64 109.60 1ug7 n GLU 61 Ca 0.00 -3.12 -0.35 0.00 -0.42 0.00 0.00 57.16 53.26 1ug7 n GLU 61 Cb 0.00 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.10 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 -3.16 3.60 1.34 -0.32 0.40 -1.26 -3.20 117.98 115.38 1ug7 s PHE 62 Ca 0.40 0.60 -0.22 0.00 -0.60 0.00 0.00 56.93 57.12 1ug7 s PHE 62 Cb 0.37 -2.01 0.34 0.00 0.51 0.00 0.00 43.02 42.23 1ug7 s PHE 62 CO -0.01 0.65 1.01 -0.08 0.70 0.00 0.00 175.22 177.49 1ug7 s THR 63 N -1.22 1.33 0.19 0.64 -1.32 -1.26 -4.65 115.64 109.35 1ug7 s THR 63 Ca 0.24 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.65 1ug7 s THR 63 Cb -0.13 -2.27 0.02 0.00 -1.51 0.00 0.00 72.50 68.60 1ug7 s THR 63 CO 0.13 0.00 1.58 1.05 -2.21 0.00 0.00 174.62 175.18 1ug7 h GLU 64 N -3.10 0.87 -0.74 7.08 4.11 -1.98 -0.66 114.58 120.16 1ug7 h GLU 64 Ca -0.43 -0.37 -0.03 0.00 0.07 0.00 0.00 59.36 58.60 1ug7 h GLU 64 Cb 1.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1ug7 h GLU 64 CO 0.28 1.02 0.33 1.05 0.07 0.00 0.00 179.01 181.76 1ug7 h GLU 65 N 0.75 1.09 0.35 1.06 4.11 -1.99 0.13 114.58 120.07 1ug7 h GLU 65 Ca 0.10 -0.18 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1ug7 h GLU 65 Cb 0.79 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ug7 h GLU 65 CO 0.07 0.87 -0.17 1.96 0.07 0.00 0.00 179.01 181.80 1ug7 h GLN 66 N 1.05 -0.45 -0.42 1.06 4.20 -1.80 -2.82 115.11 115.92 1ug7 h GLN 66 Ca 0.25 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.08 1ug7 h GLN 66 Cb 0.16 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.95 1ug7 h GLN 66 CO -0.03 -0.13 -0.24 0.87 -0.67 0.00 0.00 178.83 178.63 1ug7 h LYS 67 N -0.88 -0.16 -0.67 1.46 1.57 -1.06 0.34 116.57 117.17 1ug7 h LYS 67 Ca -0.05 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1ug7 h LYS 67 Cb 0.53 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1ug7 h LYS 67 CO 0.08 -0.10 -0.52 0.87 -0.57 0.00 0.00 179.45 179.20 1ug7 h LYS 68 N -0.16 -0.20 0.07 3.15 1.79 -0.99 0.13 116.57 120.36 1ug7 h LYS 68 Ca 0.20 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1ug7 h LYS 68 Cb 0.48 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1ug7 h LYS 68 CO -0.52 -0.13 -0.15 1.15 -1.08 0.00 0.00 179.45 178.71 1ug7 h THR 69 N -0.21 0.64 -0.95 -0.16 2.02 -0.93 -0.85 112.91 112.47 1ug7 h THR 69 Ca 0.15 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.56 1ug7 h THR 69 Cb 0.53 0.64 -0.18 0.00 -1.74 0.00 0.00 68.15 67.41 1ug7 h THR 69 CO -0.75 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 175.48 1ug7 h ILE 70 N -0.29 0.07 -0.59 3.11 2.04 0.15 1.33 117.51 123.34 1ug7 h ILE 70 Ca 0.03 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 1ug7 h ILE 70 Cb 0.32 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1ug7 h ILE 70 CO -0.10 0.00 -0.04 1.23 0.00 0.00 0.00 178.15 179.24 1ug7 h GLY 71 N 0.02 1.15 1.90 5.37 0.00 -0.13 -2.33 103.07 109.05 1ug7 h GLY 71 Ca 0.53 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1ug7 h GLY 71 CO -0.91 0.80 -0.03 0.50 0.00 0.00 0.00 176.54 176.90 1ug7 h LYS 72 N 0.96 0.13 0.22 4.80 1.57 0.29 -1.75 116.57 122.79 1ug7 h LYS 72 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1ug7 h LYS 72 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1ug7 h LYS 72 CO 0.04 0.18 -0.10 0.82 -0.57 0.00 0.00 179.45 179.81 1ug7 h ILE 73 N 0.13 0.86 -0.36 1.86 2.04 0.43 -3.07 117.51 119.41 1ug7 h ILE 73 Ca 0.03 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.33 1ug7 h ILE 73 Cb 0.15 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 1ug7 h ILE 73 CO 0.01 0.14 -0.21 0.00 0.00 0.00 0.00 178.15 178.08 1ug7 h ALA 74 N 0.05 0.02 -0.94 1.87 0.00 -1.03 -1.83 119.26 117.41 1ug7 h ALA 74 Ca -0.03 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1ug7 h ALA 74 Cb 0.45 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1ug7 h ALA 74 CO 0.05 -0.60 -0.55 2.41 0.00 0.00 0.00 179.25 180.56 1ug7 n THR 75 N -5.38 -0.63 -0.12 0.00 -1.04 -0.70 0.26 114.28 106.66 1ug7 n THR 75 Ca 0.01 2.27 -0.11 0.00 -2.04 0.00 0.00 64.05 64.19 1ug7 n THR 75 Cb 0.29 -2.81 -0.05 0.00 -1.82 0.00 0.00 70.33 65.94 1ug7 n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n LEU 77 N -5.41 -0.60 -0.33 0.00 4.77 0.14 0.17 117.00 115.75 1ug7 n LEU 77 Ca -0.01 1.34 0.20 0.00 -0.03 0.00 0.00 56.01 57.51 1ug7 n LEU 77 Cb 0.35 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 41.54 1ug7 n LEU 77 CO 0.04 -0.98 0.94 -0.33 -1.33 0.00 0.00 177.39 175.72 1ug7 h GLU 78 N 0.00 0.07 0.07 3.23 4.39 -0.05 1.08 114.58 123.37 1ug7 h GLU 78 Ca 0.09 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1ug7 h GLU 78 Cb 0.23 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1ug7 h GLU 78 CO -0.53 0.05 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.27 1ug7 h LEU 79 N 0.07 -0.08 0.52 1.33 4.07 0.24 -1.93 115.31 119.53 1ug7 h LEU 79 Ca 0.68 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 58.34 1ug7 h LEU 79 Cb 1.56 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.31 1ug7 h LEU 79 CO -0.80 0.23 -0.31 -0.09 -1.08 0.00 0.00 178.44 176.39 1ug7 h ARG 80 N -0.39 -0.75 -1.00 1.13 9.65 0.50 0.52 114.38 124.04 1ug7 h ARG 80 Ca -0.01 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.06 1ug7 h ARG 80 Cb 0.34 0.17 -0.15 0.00 -1.39 0.00 0.00 29.97 28.94 1ug7 h ARG 80 CO 0.02 -0.50 -0.44 0.43 2.80 0.00 0.00 179.97 182.28 1ug7 n SER 81 N -4.31 -0.75 0.03 -3.80 7.64 0.31 0.44 113.62 113.19 1ug7 n SER 81 Ca -0.10 1.75 -0.11 0.00 1.01 0.00 0.00 58.87 61.43 1ug7 n SER 81 Cb 0.32 -0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.17 -0.02 -0.99 -0.43 0.00 -1.20 -1.65 119.26 116.13 1ug7 h ALA 82 Ca 0.30 0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.57 1ug7 h ALA 82 Cb 0.55 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.26 1ug7 h ALA 82 CO -0.98 -0.53 0.30 0.00 0.00 0.00 0.00 179.25 178.04 1ug7 h ALA 83 N 0.96 1.68 0.40 0.00 0.00 0.51 1.01 119.26 123.83 1ug7 h ALA 83 Ca 0.03 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1ug7 h ALA 83 Cb 0.11 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ug7 h ALA 83 CO -0.07 -0.75 -0.19 -0.07 0.00 0.00 0.00 179.25 178.16 1ug7 h LEU 84 N 0.03 -0.46 -0.88 0.00 3.38 -0.15 -2.63 115.31 114.61 1ug7 h LEU 84 Ca 0.72 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.82 1ug7 h LEU 84 Cb 1.73 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.50 1ug7 h LEU 84 CO -0.83 -0.29 0.48 1.56 0.09 0.00 0.00 178.44 179.45 1ug7 h GLN 85 N -0.59 0.67 -7.10 1.13 4.20 0.12 -3.42 115.11 110.12 1ug7 h GLN 85 Ca -0.06 -0.04 -0.52 0.00 0.06 0.00 0.00 58.65 58.09 1ug7 h GLN 85 Cb 0.44 -0.15 0.21 0.00 0.30 0.00 0.00 27.48 28.28 1ug7 h GLN 85 CO 0.09 0.44 -0.06 0.45 -0.67 0.00 0.00 178.83 179.08 1ug7 n SER 86 N -4.82 -0.53 -1.85 1.46 2.88 0.92 -4.86 113.62 106.82 1ug7 n SER 86 Ca 0.18 0.38 -0.16 0.00 -1.33 0.00 0.00 58.87 57.94 1ug7 n SER 86 Cb 0.43 -1.38 0.04 0.00 -0.75 0.00 0.00 64.21 62.54 1ug7 n SER 86 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ug7 n THR 87 N -4.04 2.69 0.00 2.46 5.66 -1.26 -4.86 114.28 114.93 1ug7 n THR 87 Ca 0.10 -1.55 0.00 0.00 -3.05 0.00 0.00 64.05 59.55 1ug7 n THR 87 Cb 0.53 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.01 1ug7 n THR 87 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1ug7 n GLN 88 N 0.34 0.00 -1.53 1.09 7.27 -1.26 -4.86 117.38 118.42 1ug7 n GLN 88 Ca 0.29 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 57.12 1ug7 n GLN 88 Cb 0.61 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.14 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ug7 n SER 89 N 3.50 0.74 -3.55 1.69 2.88 -1.26 -4.70 113.62 112.91 1ug7 n SER 89 Ca 0.00 -0.79 0.01 0.00 -1.33 0.00 0.00 58.87 56.75 1ug7 n SER 89 Cb 0.00 -1.22 0.02 0.00 -0.75 0.00 0.00 64.21 62.26 1ug7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ug7 n GLN 90 N 7.85 0.34 -2.65 -1.46 6.02 -1.26 -5.06 117.38 121.16 1ug7 n GLN 90 Ca 0.54 -0.99 -0.10 0.00 -0.01 0.00 0.00 57.00 56.44 1ug7 n GLN 90 Cb 0.31 1.49 0.03 0.00 1.02 0.00 0.00 30.24 33.09 1ug7 n GLN 90 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ug7 n GLU 91 N -0.82 1.78 0.00 -1.09 0.28 -1.26 -5.07 120.64 114.46 1ug7 n GLU 91 Ca 0.02 -3.55 0.00 0.00 -0.16 0.00 0.00 57.16 53.47 1ug7 n GLU 91 Cb 0.56 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ug7 n GLU 92 N -0.33 3.49 -2.97 3.44 -0.58 -1.26 -5.07 120.64 117.36 1ug7 n GLU 92 Ca 0.15 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.57 1ug7 n GLU 92 Cb 0.81 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.63 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 2.51 3.43 0.00 -0.32 5.36 -1.26 -5.04 117.98 122.66 1ug7 s PHE 93 Ca 0.00 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 1ug7 s PHE 93 Cb 0.00 -2.49 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1ug7 s PHE 93 CO 0.00 -0.02 0.00 0.36 -1.46 0.00 0.00 175.22 174.10 1ug7 n LYS 94 N -0.90 1.81 -0.07 10.12 2.85 -1.26 -4.62 118.16 126.08 1ug7 n LYS 94 Ca 0.03 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.15 1ug7 n LYS 94 Cb 0.54 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.81 1ug7 n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1ug7 h LEU 95 N 0.00 0.00 -0.47 -5.58 3.38 -1.98 -2.93 115.31 107.73 1ug7 h LEU 95 Ca 0.00 -0.77 0.09 0.00 0.09 0.00 0.00 57.88 57.29 1ug7 h LEU 95 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1ug7 h LEU 95 CO 0.00 1.03 0.01 1.05 0.09 0.00 0.00 178.44 180.62 1ug7 h GLU 96 N -1.00 0.12 0.00 1.13 4.11 -1.98 0.82 114.58 117.78 1ug7 h GLU 96 Ca -0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1ug7 h GLU 96 Cb 0.94 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ug7 h GLU 96 CO -0.04 0.08 -0.11 -0.44 0.07 0.00 0.00 179.01 178.57 1ug7 h ASP 97 N 0.13 0.00 0.06 3.06 5.19 -1.98 -1.30 116.42 121.57 1ug7 h ASP 97 Ca 0.23 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1ug7 h ASP 97 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1ug7 h ASP 97 CO -0.38 0.11 -0.03 0.25 -3.12 0.00 0.00 179.24 176.07 1ug7 h LEU 98 N 0.00 -0.07 -1.96 1.55 5.85 -0.09 -3.00 115.31 117.59 1ug7 h LEU 98 Ca -0.00 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1ug7 h LEU 98 Cb 0.20 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ug7 h LEU 98 CO 0.01 0.59 0.12 0.11 -0.34 0.00 0.00 178.44 178.94 1ug7 h LYS 99 N -0.78 0.00 0.00 1.25 1.57 0.83 0.71 116.57 120.14 1ug7 h LYS 99 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ug7 h LYS 99 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1ug7 h LYS 99 CO 0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 1ug7 n LYS 100 N -2.62 0.30 0.00 3.15 5.02 -0.53 -1.25 118.16 122.22 1ug7 n LYS 100 Ca -0.02 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 1ug7 n LYS 100 Cb 0.17 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.26 2.27 0.00 -0.35 4.77 0.25 -4.01 117.00 118.67 1ug7 n LEU 101 Ca 0.09 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 55.15 1ug7 n LEU 101 Cb 0.14 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1ug7 n LEU 101 CO 0.14 0.40 0.70 -0.08 -1.33 0.00 0.00 177.39 177.22 1ug7 h GLU 102 N 3.11 0.01 -0.02 3.23 4.22 -1.29 -1.24 114.58 122.60 1ug7 h GLU 102 Ca 0.00 -0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.25 1ug7 h GLU 102 Cb 0.81 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1ug7 h GLU 102 CO 0.00 0.35 -0.82 -1.00 -2.18 0.00 0.00 179.01 175.37 1ug7 h PRO 103 N -0.34 0.25 0.14 0.92 0.13 -1.75 -2.13 132.00 129.21 1ug7 h PRO 103 Ca 0.00 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1ug7 h PRO 103 Cb 0.35 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1ug7 h PRO 103 CO 0.00 0.94 -0.07 0.82 -0.23 0.00 0.00 178.00 179.46 1ug7 h ILE 104 N 0.15 0.87 -0.17 -3.56 2.04 -1.69 1.60 117.51 116.76 1ug7 h ILE 104 Ca -0.04 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1ug7 h ILE 104 Cb 1.42 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1ug7 h ILE 104 CO 0.13 0.01 -0.16 -0.07 0.00 0.00 0.00 178.15 178.05 1ug7 h LEU 105 N -0.20 0.27 0.26 1.44 3.38 -1.26 1.40 115.31 120.60 1ug7 h LEU 105 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ug7 h LEU 105 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ug7 h LEU 105 CO 0.03 0.46 -0.13 0.50 0.09 0.00 0.00 178.44 179.40 1ug7 h LYS 106 N 0.27 -0.34 -0.89 1.13 3.64 -0.66 -3.14 116.57 116.57 1ug7 h LYS 106 Ca 0.05 0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.26 1ug7 h LYS 106 Cb 0.45 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1ug7 h LYS 106 CO 0.03 0.01 0.24 0.09 -2.27 0.00 0.00 179.45 177.55 1ug7 n ASN 107 N -5.03 3.68 -0.40 4.20 3.02 0.54 -4.46 115.26 116.81 1ug7 n ASN 107 Ca -0.08 -2.83 0.32 0.00 -0.03 0.00 0.00 54.58 51.96 1ug7 n ASN 107 Cb 0.26 -0.67 0.62 0.00 -0.61 0.00 0.00 39.78 39.37 1ug7 n ASN 107 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ug7 h ILE 108 N 1.40 0.29 0.10 2.41 1.08 0.20 1.59 117.51 124.57 1ug7 h ILE 108 Ca 0.24 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 1ug7 h ILE 108 Cb 1.87 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1ug7 h ILE 108 CO 0.54 0.03 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.91 1ug7 h LEU 109 N 0.19 -0.11 -4.67 1.44 3.38 -1.81 -3.33 115.31 110.39 1ug7 h LEU 109 Ca 0.72 -0.39 -0.67 0.00 0.09 0.00 0.00 57.88 57.63 1ug7 h LEU 109 Cb 2.20 0.03 -0.25 0.00 0.09 0.00 0.00 40.66 42.73 1ug7 h LEU 109 CO -0.32 0.53 0.85 1.07 0.09 0.00 0.00 178.44 180.66 1ug7 n THR 110 N -4.83 3.50 -4.38 0.22 5.66 0.64 -4.94 114.28 110.16 1ug7 n THR 110 Ca -0.06 -3.67 -0.34 0.00 -3.05 0.00 0.00 64.05 56.93 1ug7 n THR 110 Cb 0.24 -1.31 -0.11 0.00 -1.55 0.00 0.00 70.33 67.60 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 -3.39 3.08 0.20 1.09 6.14 0.51 -4.87 117.35 120.12 1ug7 s TYR 111 Ca 0.54 -0.05 -0.30 0.00 0.64 0.00 0.00 57.07 57.90 1ug7 s TYR 111 Cb 0.43 -1.88 -0.09 0.00 0.42 0.00 0.00 41.96 40.83 1ug7 s TYR 111 CO -0.29 0.20 1.32 1.21 0.64 0.00 0.00 175.55 178.62 1ug7 s ASN 112 N -0.19 6.87 1.07 4.32 2.47 -1.26 -5.00 114.94 123.22 1ug7 s ASN 112 Ca 0.04 2.42 -0.04 0.00 0.42 0.00 0.00 52.86 55.70 1ug7 s ASN 112 Cb -0.13 -2.61 0.07 0.00 -1.45 0.00 0.00 41.25 37.13 1ug7 s ASN 112 CO 0.02 -0.54 0.20 0.29 -3.72 0.00 0.00 177.10 173.35 1ug7 n LYS 113 N 2.65 -1.88 -2.86 0.43 4.76 -1.26 -4.65 118.16 115.35 1ug7 n LYS 113 Ca 0.06 -0.33 -0.01 0.00 -2.87 0.00 0.00 58.31 55.17 1ug7 n LYS 113 Cb 0.43 -0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 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 -2.40 -1.28 -1.07 1.97 -0.58 -1.26 -4.88 120.64 111.14 1ug7 n GLU 114 Ca 0.03 1.45 -0.33 0.00 -0.42 0.00 0.00 57.16 57.89 1ug7 n GLU 114 Cb 0.12 -5.26 0.01 0.00 -0.57 0.00 0.00 31.44 25.74 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ug7 n PHE 115 N -1.51 -2.58 0.43 -0.32 7.35 -1.26 -4.81 117.46 114.76 1ug7 n PHE 115 Ca 0.01 0.38 0.13 0.00 -0.76 0.00 0.00 57.45 57.21 1ug7 n PHE 115 Cb 0.49 -1.44 0.44 0.00 0.35 0.00 0.00 39.48 39.32 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 -0.04 0.00 -6.27 -7.13 0.13 -1.93 -3.45 132.00 113.30 1ug7 h PRO 116 Ca -0.35 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.16 1ug7 h PRO 116 Cb 1.24 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1ug7 h PRO 116 CO 0.35 0.00 -0.78 -0.06 -0.23 0.00 0.00 178.00 177.29 1ug7 s PHE 117 N -3.29 2.25 -1.12 1.56 0.08 -1.26 -5.05 117.98 111.14 1ug7 s PHE 117 Ca 0.06 -0.35 -0.21 0.00 0.12 0.00 0.00 56.93 56.55 1ug7 s PHE 117 Cb 0.10 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1ug7 s PHE 117 CO 0.53 0.63 1.65 -0.51 -0.10 0.00 0.00 175.22 177.43 1ug7 s ASP 118 N -3.26 6.35 -0.04 1.36 1.01 -1.26 -4.90 116.67 115.94 1ug7 s ASP 118 Ca 0.27 -1.75 0.01 0.00 0.71 0.00 0.00 52.55 51.78 1ug7 s ASP 118 Cb -0.06 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1ug7 s ASP 118 CO 0.13 -1.65 -0.03 0.68 0.21 0.00 0.00 175.17 174.50 1ug7 s VAL 119 N 5.78 0.41 0.45 -1.27 -7.23 -1.26 -5.10 120.40 112.18 1ug7 s VAL 119 Ca 0.53 -0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 60.58 1ug7 s VAL 119 Cb 0.01 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 1ug7 s VAL 119 CO -0.00 0.19 0.76 0.00 -0.31 0.00 0.00 175.10 175.74 1ug7 s GLN 120 N 0.86 3.61 -0.01 4.82 -2.07 -1.26 -4.88 119.66 120.73 1ug7 s GLN 120 Ca -0.10 0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 53.38 1ug7 s GLN 120 Cb -0.13 -2.40 -0.04 0.00 -1.09 0.00 0.00 33.01 29.34 1ug7 s GLN 120 CO -0.00 -0.13 1.20 -1.25 -1.32 0.00 0.00 175.29 173.79 1ug7 s PRO 121 N -4.43 4.39 0.23 9.60 0.04 -1.26 -4.27 135.00 139.29 1ug7 s PRO 121 Ca 0.48 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 1ug7 s PRO 121 Cb -0.10 -3.48 -0.16 0.00 0.04 0.00 0.00 34.50 30.80 1ug7 s PRO 121 CO 0.40 -0.37 0.82 -0.89 0.04 0.00 0.00 177.00 177.00 1ug7 n ILE 122 N 4.35 1.80 -1.85 0.56 -0.00 -1.25 -4.33 119.36 118.64 1ug7 n ILE 122 Ca 0.10 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 1ug7 n ILE 122 Cb 0.46 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.58 1ug7 n ILE 122 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1ug7 n SER 123 N 1.65 -8.31 0.00 4.38 2.88 -1.26 -4.74 113.62 108.22 1ug7 n SER 123 Ca 0.14 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1ug7 n SER 123 Cb 0.27 -4.58 0.00 0.00 -0.75 0.00 0.00 64.21 59.15 1ug7 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug7 n GLY 124 N 1.42 -1.35 3.70 0.46 0.00 -1.26 -5.03 105.19 103.14 1ug7 n GLY 124 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.84 4.40 -0.54 1.61 0.04 -1.26 -4.92 135.00 133.49 1ug7 s PRO 125 Ca 0.00 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 1ug7 s PRO 125 Cb 0.00 -3.45 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 1ug7 s PRO 125 CO 0.00 -0.33 2.34 0.45 0.04 0.00 0.00 177.00 179.50 1ug7 s SER 126 N 1.26 4.48 0.15 6.66 0.15 -1.26 -4.82 113.70 120.31 1ug7 s SER 126 Ca 0.57 0.87 -0.29 0.00 0.70 0.00 0.00 55.95 57.80 1ug7 s SER 126 Cb -0.27 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 1ug7 s SER 126 CO 0.26 -2.92 1.56 -1.28 1.20 0.00 0.00 173.24 172.06 1ug7 h SER 127 N 18.31 -1.60 0.00 5.45 0.87 -2.06 -3.57 113.55 130.95 1ug7 h SER 127 Ca -0.21 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ug7 h SER 127 Cb 1.23 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 1ug7 h SER 127 CO 1.15 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.68