#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 2.22 0.50 1.61 0.01 -1.26 -5.07 113.70 111.71 1ug7 s SER 2 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1ug7 s SER 2 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1ug7 s SER 2 CO 0.00 0.09 0.00 -0.24 0.41 0.00 0.00 173.24 173.50 1ug7 n SER 3 N 1.64 -8.34 0.00 2.44 2.88 -1.26 -5.04 113.62 105.94 1ug7 n SER 3 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1ug7 n SER 3 Cb 0.54 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 1ug7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug7 n GLY 4 N -4.27 0.67 3.58 0.46 0.00 -1.26 -5.02 105.19 99.35 1ug7 n GLY 4 Ca -0.05 -0.75 -0.59 0.00 0.00 0.00 0.00 46.02 44.63 1ug7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ug7 n SER 5 N 0.00 1.76 -2.25 1.61 7.64 -1.26 -3.84 113.62 117.28 1ug7 n SER 5 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1ug7 n SER 5 Cb 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1ug7 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ug7 n SER 6 N 6.36 -9.16 0.00 6.43 7.64 -1.26 -4.81 113.62 118.82 1ug7 n SER 6 Ca 0.36 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.91 1ug7 n SER 6 Cb 0.07 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.14 1ug7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug7 n GLY 7 N 1.92 2.28 3.76 0.23 0.00 0.32 -4.35 105.19 109.35 1ug7 n GLY 7 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ug7 n MET 8 N 0.00 2.54 -2.71 1.61 1.56 -1.26 -4.58 117.12 114.27 1ug7 n MET 8 Ca 0.00 0.89 -0.08 0.00 -0.27 0.00 0.00 57.70 58.24 1ug7 n MET 8 Cb 0.00 -2.61 0.11 0.00 2.15 0.00 0.00 33.22 32.87 1ug7 n MET 8 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1ug7 n SER 9 N 0.44 -2.07 0.00 6.12 7.64 -1.26 -4.96 113.62 119.52 1ug7 n SER 9 Ca 0.02 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1ug7 n SER 9 Cb 0.39 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 1ug7 n SER 9 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ug7 n GLU 10 N -0.19 0.00 0.23 1.43 2.13 -1.26 -4.03 120.64 118.95 1ug7 n GLU 10 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1ug7 n GLU 10 Cb 0.78 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.41 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1ug7 h VAL 11 N 0.00 0.59 -0.54 6.31 3.04 -1.97 -1.93 116.25 121.75 1ug7 h VAL 11 Ca 0.00 -0.17 0.16 0.00 -1.01 0.00 0.00 66.70 65.67 1ug7 h VAL 11 Cb 0.00 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 29.94 1ug7 h VAL 11 CO 0.00 0.03 0.43 0.74 -1.01 0.00 0.00 177.57 177.76 1ug7 h THR 12 N -0.66 0.59 0.07 3.17 2.02 -1.88 -2.36 112.91 113.87 1ug7 h THR 12 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ug7 h THR 12 Cb 0.48 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1ug7 h THR 12 CO 0.09 0.00 -0.04 -0.09 0.37 0.00 0.00 175.52 175.86 1ug7 h ARG 13 N 0.00 -0.10 -0.92 6.66 1.12 -1.68 -3.10 114.38 116.36 1ug7 h ARG 13 Ca 0.26 0.01 0.35 0.00 -1.11 0.00 0.00 59.98 59.48 1ug7 h ARG 13 Cb 1.12 0.02 -0.17 0.00 -0.01 0.00 0.00 29.97 30.93 1ug7 h ARG 13 CO -0.00 -0.06 0.36 0.43 -3.11 0.00 0.00 179.97 177.58 1ug7 n SER 14 N -2.38 0.20 -0.05 -3.80 7.64 -0.79 0.94 113.62 115.38 1ug7 n SER 14 Ca -0.01 1.54 -0.13 0.00 1.01 0.00 0.00 58.87 61.28 1ug7 n SER 14 Cb 0.04 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 1ug7 n SER 14 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ug7 h LEU 15 N 0.00 -1.55 -1.48 -3.43 3.38 -1.42 1.00 115.31 111.81 1ug7 h LEU 15 Ca 0.72 0.20 0.29 0.00 0.09 0.00 0.00 57.88 59.18 1ug7 h LEU 15 Cb 1.81 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 43.15 1ug7 h LEU 15 CO -0.75 -0.43 1.01 -0.07 0.09 0.00 0.00 178.44 178.29 1ug7 h LEU 16 N -0.47 0.00 0.00 1.67 3.38 0.64 0.63 115.31 121.17 1ug7 h LEU 16 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ug7 h LEU 16 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ug7 h LEU 16 CO -0.48 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.05 1ug7 n GLN 17 N -3.52 0.00 -0.32 1.13 6.02 0.32 -2.76 117.38 118.26 1ug7 n GLN 17 Ca 0.22 0.24 0.14 0.00 -0.01 0.00 0.00 57.00 57.59 1ug7 n GLN 17 Cb 1.33 -0.71 0.29 0.00 1.02 0.00 0.00 30.24 32.16 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 0.06 0.39 -1.09 0.11 -0.16 1.67 114.38 115.37 1ug7 h ARG 18 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1ug7 h ARG 18 Cb 0.00 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1ug7 h ARG 18 CO 0.00 0.04 -0.36 -1.49 0.10 0.00 0.00 179.97 178.26 1ug7 h TRP 19 N 0.06 -0.99 -0.14 4.08 6.55 0.06 0.64 115.95 126.22 1ug7 h TRP 19 Ca 0.58 0.00 0.04 0.00 0.95 0.00 0.00 58.89 60.46 1ug7 h TRP 19 Cb 1.19 0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 29.87 1ug7 h TRP 19 CO -0.41 -0.48 0.13 0.78 -1.05 0.00 0.00 178.44 177.40 1ug7 h GLY 20 N -0.74 0.00 1.40 1.49 0.00 -0.47 0.67 103.07 105.42 1ug7 h GLY 20 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 1ug7 h GLY 20 CO -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.94 1ug7 h ALA 21 N 1.87 0.62 0.38 3.60 0.00 0.35 -2.76 119.26 123.32 1ug7 h ALA 21 Ca 0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ug7 h ALA 21 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ug7 h ALA 21 CO -0.00 0.69 -0.25 0.77 0.00 0.00 0.00 179.25 180.46 1ug7 h SER 22 N 0.47 -0.64 -0.62 0.00 0.02 0.27 0.14 113.55 113.18 1ug7 h SER 22 Ca 0.00 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1ug7 h SER 22 Cb 1.14 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 63.76 1ug7 h SER 22 CO 0.11 -0.37 -0.46 0.25 -1.14 0.00 0.00 176.83 175.22 1ug7 h LEU 23 N -0.59 -1.58 -0.13 5.07 5.85 -1.59 0.79 115.31 123.13 1ug7 h LEU 23 Ca -0.05 0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1ug7 h LEU 23 Cb 0.48 0.71 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1ug7 h LEU 23 CO 0.04 -0.33 -0.27 0.03 -0.34 0.00 0.00 178.44 177.57 1ug7 h ARG 24 N -0.21 -0.23 -0.99 1.25 -0.00 -1.37 0.67 114.38 113.50 1ug7 h ARG 24 Ca 0.18 0.02 0.23 0.00 -0.50 0.00 0.00 59.98 59.90 1ug7 h ARG 24 Cb 0.56 0.05 -0.09 0.00 0.00 0.00 0.00 29.97 30.49 1ug7 h ARG 24 CO -0.72 -0.15 0.64 -0.09 0.00 0.00 0.00 179.97 179.65 1ug7 h ARG 25 N -0.24 0.46 -0.51 0.04 2.43 0.26 0.28 114.38 117.10 1ug7 h ARG 25 Ca 0.03 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1ug7 h ARG 25 Cb 0.31 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1ug7 h ARG 25 CO -0.25 0.30 0.07 0.78 -1.51 0.00 0.00 179.97 179.36 1ug7 h GLY 26 N 0.47 0.93 0.99 2.80 0.00 0.32 -2.87 103.07 105.72 1ug7 h GLY 26 Ca 0.55 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1ug7 h GLY 26 CO -0.28 0.58 0.19 0.00 0.00 0.00 0.00 176.54 177.03 1ug7 h ALA 27 N 0.97 0.74 -0.93 3.60 0.00 0.37 -2.45 119.26 121.56 1ug7 h ALA 27 Ca 0.15 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.15 1ug7 h ALA 27 Cb 0.42 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 17.84 1ug7 h ALA 27 CO 0.01 0.39 0.29 -0.44 0.00 0.00 0.00 179.25 179.51 1ug7 h ASP 28 N 0.79 0.05 0.52 0.00 5.19 -0.81 0.62 116.42 122.79 1ug7 h ASP 28 Ca 0.18 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.78 1ug7 h ASP 28 Cb 0.27 0.27 0.01 0.00 0.18 0.00 0.00 39.33 40.06 1ug7 h ASP 28 CO -0.01 -0.21 -0.25 -0.26 -3.12 0.00 0.00 179.24 175.39 1ug7 h PHE 29 N 0.18 -0.65 -0.81 4.55 0.04 -1.39 -2.37 116.94 116.48 1ug7 h PHE 29 Ca 0.62 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.45 1ug7 h PHE 29 Cb 1.33 0.22 -0.10 0.00 2.20 0.00 0.00 35.95 39.60 1ug7 h PHE 29 CO -0.23 -0.41 -0.48 -0.25 -0.60 0.00 0.00 178.31 176.35 1ug7 n ASP 30 N -4.34 -0.86 -0.30 2.17 8.00 -0.44 0.17 116.55 120.95 1ug7 n ASP 30 Ca -0.09 1.63 -0.12 0.00 0.71 0.00 0.00 54.79 56.92 1ug7 n ASP 30 Cb 0.28 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1ug7 n ASP 30 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ug7 h SER 31 N 0.00 -1.98 0.00 -2.24 0.02 -0.99 -2.87 113.55 105.48 1ug7 h SER 31 Ca 0.13 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1ug7 h SER 31 Cb 0.33 0.86 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ug7 h SER 31 CO -0.76 -0.31 0.00 0.79 -1.14 0.00 0.00 176.83 175.41 1ug7 n TRP 32 N -5.32 0.00 0.00 3.45 8.01 0.47 -4.95 117.44 119.10 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 0.30 -0.21 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 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 -0.71 0.00 2.68 6.99 0.00 0.44 -5.08 105.19 109.51 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 3.45 -0.02 1.61 1.13 -0.59 -4.87 117.38 118.09 1ug7 n GLN 34 Ca 0.00 -4.67 -0.09 0.00 -1.94 0.00 0.00 57.00 50.30 1ug7 n GLN 34 Cb 0.00 -2.35 -0.02 0.00 0.11 0.00 0.00 30.24 27.98 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 4.38 -0.43 -0.00 1.08 3.38 -1.91 0.50 115.31 122.30 1ug7 h LEU 35 Ca 0.22 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ug7 h LEU 35 Cb 0.60 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ug7 h LEU 35 CO 1.01 -0.17 -0.01 0.58 0.09 0.00 0.00 178.44 179.94 1ug7 h VAL 36 N -0.14 0.00 -0.73 1.22 2.07 -1.99 0.73 116.25 117.40 1ug7 h VAL 36 Ca 0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.77 1ug7 h VAL 36 Cb 0.30 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.97 1ug7 h VAL 36 CO -0.26 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.26 1ug7 h GLU 37 N -0.00 0.38 -0.12 1.57 3.07 -1.93 -1.10 114.58 116.46 1ug7 h GLU 37 Ca 0.00 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1ug7 h GLU 37 Cb 0.01 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.76 1ug7 h GLU 37 CO -0.01 0.25 -0.45 0.00 -1.40 0.00 0.00 179.01 177.41 1ug7 h ALA 38 N 1.55 -0.66 0.06 3.43 0.00 0.17 0.32 119.26 124.12 1ug7 h ALA 38 Ca 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ug7 h ALA 38 Cb 0.62 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1ug7 h ALA 38 CO -0.42 -0.96 -0.44 0.82 0.00 0.00 0.00 179.25 178.25 1ug7 h ILE 39 N -0.52 0.00 -0.82 0.00 2.04 0.16 0.96 117.51 119.32 1ug7 h ILE 39 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1ug7 h ILE 39 Cb 0.64 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 1ug7 h ILE 39 CO -0.40 0.00 -0.56 -0.78 0.00 0.00 0.00 178.15 176.41 1ug7 h ASP 40 N -0.59 -2.02 -0.03 1.72 3.58 -0.73 0.48 116.42 118.83 1ug7 h ASP 40 Ca 0.00 0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1ug7 h ASP 40 Cb 0.61 0.88 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 1ug7 h ASP 40 CO -0.26 -0.28 -0.07 -0.08 -2.88 0.00 0.00 179.24 175.67 1ug7 h GLU 41 N -0.12 -0.06 -0.75 0.28 4.22 0.24 0.47 114.58 118.87 1ug7 h GLU 41 Ca 0.15 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.68 1ug7 h GLU 41 Cb 0.48 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 1ug7 h GLU 41 CO -0.84 -0.04 -0.52 1.88 -2.18 0.00 0.00 179.01 177.31 1ug7 h TYR 42 N -0.06 -1.60 -0.18 0.92 0.05 0.06 0.15 116.97 116.31 1ug7 h TYR 42 Ca 0.01 0.10 0.04 0.00 0.05 0.00 0.00 58.73 58.93 1ug7 h TYR 42 Cb 0.08 0.80 -0.07 0.00 1.01 0.00 0.00 36.73 38.55 1ug7 h TYR 42 CO -0.54 -0.42 -0.51 1.96 -1.05 0.00 0.00 178.16 177.60 1ug7 h GLN 43 N -0.16 -0.51 -0.55 4.88 4.20 0.40 0.77 115.11 124.15 1ug7 h GLN 43 Ca 0.17 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1ug7 h GLN 43 Cb 0.52 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.31 1ug7 h GLN 43 CO -0.80 -0.34 -0.43 0.82 -0.67 0.00 0.00 178.83 177.41 1ug7 h ILE 44 N -0.53 0.09 -0.75 2.54 5.03 0.14 0.98 117.51 125.01 1ug7 h ILE 44 Ca 0.05 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.89 1ug7 h ILE 44 Cb 0.66 0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 34.49 1ug7 h ILE 44 CO -0.46 0.00 0.49 0.25 -0.68 0.00 0.00 178.15 177.76 1ug7 h LEU 45 N -0.24 0.60 -0.06 1.44 5.85 0.26 0.18 115.31 123.34 1ug7 h LEU 45 Ca 0.17 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ug7 h LEU 45 Cb 0.57 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ug7 h LEU 45 CO -0.67 0.36 0.03 0.00 -0.34 0.00 0.00 178.44 177.83 1ug7 h ALA 46 N 1.62 0.08 -0.08 1.25 0.00 0.74 -0.72 119.26 122.16 1ug7 h ALA 46 Ca 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ug7 h ALA 46 Cb 0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ug7 h ALA 46 CO -0.13 -0.37 0.04 0.00 0.00 0.00 0.00 179.25 178.80 1ug7 h ARG 47 N -0.00 0.10 -0.99 0.00 3.08 0.13 -2.04 114.38 114.67 1ug7 h ARG 47 Ca 0.02 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.24 1ug7 h ARG 47 Cb 0.10 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.03 1ug7 h ARG 47 CO -0.00 0.14 0.61 0.45 -1.07 0.00 0.00 179.97 180.10 1ug7 h HIS 48 N 0.04 1.01 0.83 3.04 3.86 -0.56 -0.27 115.15 123.11 1ug7 h HIS 48 Ca 0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1ug7 h HIS 48 Cb 0.06 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 28.23 1ug7 h HIS 48 CO -0.05 0.27 -0.40 -0.07 0.86 0.00 0.00 177.93 178.54 1ug7 h LEU 49 N 0.76 -0.95 -0.65 2.43 3.38 -0.51 -2.87 115.31 116.90 1ug7 h LEU 49 Ca 0.55 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.68 1ug7 h LEU 49 Cb 0.85 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 1ug7 h LEU 49 CO -0.33 -0.68 -0.07 1.56 0.09 0.00 0.00 178.44 179.02 1ug7 h GLN 50 N -1.13 0.06 -1.64 1.13 4.20 -0.57 0.78 115.11 117.94 1ug7 h GLN 50 Ca -0.11 -0.00 0.48 0.00 0.06 0.00 0.00 58.65 59.07 1ug7 h GLN 50 Cb 0.86 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 1ug7 h GLN 50 CO 0.19 0.04 1.29 0.87 -0.67 0.00 0.00 178.83 180.55 1ug7 h LYS 51 N 0.06 0.00 0.04 1.46 6.56 -0.87 1.98 116.57 125.81 1ug7 h LYS 51 Ca 0.33 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.55 1ug7 h LYS 51 Cb 0.54 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.15 1ug7 h LYS 51 CO -0.61 0.00 -2.25 0.39 -2.06 0.00 0.00 179.45 174.92 1ug7 n GLU 52 N -3.79 0.69 -0.12 3.15 1.02 0.25 -4.14 120.64 117.70 1ug7 n GLU 52 Ca 0.37 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.59 1ug7 n GLU 52 Cb 1.79 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 31.59 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 0.19 0.47 -0.59 0.62 0.00 0.37 -2.89 119.26 117.44 1ug7 h ALA 53 Ca -0.50 -0.17 -0.52 0.00 0.00 0.00 0.00 54.91 53.71 1ug7 h ALA 53 Cb 1.99 -0.14 -0.19 0.00 0.00 0.00 0.00 17.79 19.45 1ug7 h ALA 53 CO -0.00 0.13 0.47 0.00 0.00 0.00 0.00 179.25 179.85 1ug7 n GLN 54 N -4.62 2.42 -3.49 0.00 10.64 0.56 -4.68 117.38 118.21 1ug7 n GLN 54 Ca -0.01 -2.46 -0.29 0.00 -1.83 0.00 0.00 57.00 52.42 1ug7 n GLN 54 Cb 0.19 -2.14 -0.12 0.00 -0.86 0.00 0.00 30.24 27.31 1ug7 n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ug7 s ALA 55 N -2.01 1.31 0.08 2.61 0.00 -1.09 -4.89 121.76 117.76 1ug7 s ALA 55 Ca 0.57 -2.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 1ug7 s ALA 55 Cb 0.39 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 1ug7 s ALA 55 CO -0.23 -2.07 1.32 1.96 0.00 0.00 0.00 175.76 176.74 1ug7 h GLN 56 N 6.57 -0.21 -0.35 0.00 4.20 -1.86 -3.44 115.11 120.03 1ug7 h GLN 56 Ca 0.11 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.06 1ug7 h GLN 56 Cb 0.94 0.05 -0.21 0.00 0.30 0.00 0.00 27.48 28.56 1ug7 h GLN 56 CO 0.34 -0.14 0.11 -1.58 -0.67 0.00 0.00 178.83 176.88 1ug7 s HIS 57 N -4.53 -0.57 0.16 2.96 5.65 -1.26 -5.03 115.29 112.68 1ug7 s HIS 57 Ca -0.08 0.58 0.00 0.00 0.25 0.00 0.00 55.06 55.81 1ug7 s HIS 57 Cb 0.05 0.19 0.00 0.00 -1.18 0.00 0.00 32.58 31.64 1ug7 s HIS 57 CO 0.36 -0.31 0.00 -1.71 -0.65 0.00 0.00 174.74 172.43 1ug7 n ASN 58 N 5.45 -1.48 -0.08 9.88 5.15 -1.26 -5.01 115.26 127.91 1ug7 n ASN 58 Ca -0.06 0.49 -0.16 0.00 -0.60 0.00 0.00 54.58 54.26 1ug7 n ASN 58 Cb 0.54 1.62 -0.05 0.00 -0.53 0.00 0.00 39.78 41.35 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 -2.84 1.46 -4.61 1.20 5.15 -1.26 -5.00 115.26 109.36 1ug7 n ASN 59 Ca 0.00 0.25 -0.45 0.00 -0.60 0.00 0.00 54.58 53.78 1ug7 n ASN 59 Cb 0.00 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 38.65 1ug7 n ASN 59 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ug7 n SER 60 N -3.96 1.62 -1.54 1.20 7.64 -1.26 -4.90 113.62 112.42 1ug7 n SER 60 Ca -0.28 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.67 1ug7 n SER 60 Cb 0.63 -1.32 0.09 0.00 -1.01 0.00 0.00 64.21 62.60 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ug7 n GLU 61 N 0.92 2.63 -4.27 1.43 -0.58 -1.26 -4.89 120.64 114.63 1ug7 n GLU 61 Ca 0.10 -3.73 -0.28 0.00 -0.42 0.00 0.00 57.16 52.83 1ug7 n GLU 61 Cb 0.32 -1.91 -0.06 0.00 -0.57 0.00 0.00 31.44 29.22 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 -3.34 2.15 0.25 -0.32 0.40 -1.26 -0.52 117.98 115.34 1ug7 s PHE 62 Ca 0.44 -0.76 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1ug7 s PHE 62 Cb 0.39 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1ug7 s PHE 62 CO -0.01 0.05 0.10 -0.08 0.70 0.00 0.00 175.22 175.97 1ug7 s THR 63 N -2.73 3.99 0.15 0.64 -1.32 -1.26 -4.81 115.64 110.30 1ug7 s THR 63 Ca 0.29 -1.61 -0.31 0.00 -1.21 0.00 0.00 61.69 58.85 1ug7 s THR 63 Cb 0.02 -3.14 -0.08 0.00 -1.51 0.00 0.00 72.50 67.79 1ug7 s THR 63 CO 0.17 -0.35 1.53 -0.33 -2.21 0.00 0.00 174.62 173.43 1ug7 h GLU 64 N 1.73 -0.10 -1.01 7.08 4.39 -1.97 1.07 114.58 125.77 1ug7 h GLU 64 Ca -0.47 0.01 0.41 0.00 0.34 0.00 0.00 59.36 59.65 1ug7 h GLU 64 Cb 1.24 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 1ug7 h GLU 64 CO 0.60 -0.07 0.57 0.39 -1.16 0.00 0.00 179.01 179.34 1ug7 n GLU 65 N -5.22 -0.05 -0.05 2.33 1.02 -1.26 0.19 120.64 117.59 1ug7 n GLU 65 Ca 0.00 1.28 -0.01 0.00 -0.02 0.00 0.00 57.16 58.42 1ug7 n GLU 65 Cb 0.27 -2.34 -0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1ug7 n GLU 65 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ug7 h GLN 66 N 0.00 0.00 -0.73 3.49 4.20 0.50 -3.24 115.11 119.34 1ug7 h GLN 66 Ca 0.81 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.66 1ug7 h GLN 66 Cb 2.22 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.87 1ug7 h GLN 66 CO -0.68 0.00 -0.20 0.87 -0.67 0.00 0.00 178.83 178.15 1ug7 h LYS 67 N -0.97 -0.02 -1.01 1.46 1.57 0.22 1.49 116.57 119.32 1ug7 h LYS 67 Ca 0.00 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.02 1ug7 h LYS 67 Cb 0.10 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 1ug7 h LYS 67 CO 0.00 -0.01 0.63 -0.22 -0.57 0.00 0.00 179.45 179.28 1ug7 h LYS 68 N -0.02 0.51 0.04 3.15 1.63 0.19 -0.65 116.57 121.42 1ug7 h LYS 68 Ca 0.34 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1ug7 h LYS 68 Cb 0.54 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1ug7 h LYS 68 CO -0.76 0.34 -0.02 1.15 -3.45 0.00 0.00 179.45 176.71 1ug7 h THR 69 N 0.53 1.20 -0.96 1.00 2.02 0.17 -2.96 112.91 113.90 1ug7 h THR 69 Ca 0.59 -1.72 0.33 0.00 0.77 0.00 0.00 66.41 66.38 1ug7 h THR 69 Cb 1.26 2.19 -0.18 0.00 -1.74 0.00 0.00 68.15 69.68 1ug7 h THR 69 CO -0.35 0.38 0.25 -0.38 0.37 0.00 0.00 175.52 175.79 1ug7 n ILE 70 N -4.73 -0.40 0.22 3.11 5.41 0.25 -0.31 119.36 122.90 1ug7 n ILE 70 Ca -0.07 2.04 -0.09 0.00 1.00 0.00 0.00 62.75 65.63 1ug7 n ILE 70 Cb 0.32 -3.13 -0.04 0.00 -0.71 0.00 0.00 39.64 36.08 1ug7 n ILE 70 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1ug7 h GLY 71 N 0.00 -0.61 -0.99 7.39 0.00 -1.24 -2.94 103.07 104.68 1ug7 h GLY 71 Ca 0.69 0.22 0.28 0.00 0.00 0.00 0.00 47.33 48.52 1ug7 h GLY 71 CO -0.83 -0.22 0.04 0.28 0.00 0.00 0.00 176.54 175.81 1ug7 n LYS 72 N -4.06 -0.08 -0.11 4.80 5.02 0.22 0.14 118.16 124.09 1ug7 n LYS 72 Ca -0.07 1.48 -0.07 0.00 -2.02 0.00 0.00 58.31 57.63 1ug7 n LYS 72 Cb 0.23 -2.36 -0.01 0.00 -0.02 0.00 0.00 35.03 32.87 1ug7 n LYS 72 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ug7 h ILE 73 N 0.00 0.29 0.03 -0.18 2.04 -0.63 0.08 117.51 119.14 1ug7 h ILE 73 Ca 0.61 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.49 1ug7 h ILE 73 Cb 1.27 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1ug7 h ILE 73 CO -0.93 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 177.09 1ug7 h ALA 74 N 0.86 -0.18 -0.96 1.87 0.00 0.14 -1.46 119.26 119.53 1ug7 h ALA 74 Ca 0.17 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.38 1ug7 h ALA 74 Cb 0.51 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 1ug7 h ALA 74 CO -0.50 -0.63 0.39 1.15 0.00 0.00 0.00 179.25 179.66 1ug7 h THR 75 N -0.24 0.25 -0.04 0.00 2.02 0.36 0.77 112.91 116.03 1ug7 h THR 75 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1ug7 h THR 75 Cb 0.28 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1ug7 h THR 75 CO -0.11 0.04 0.02 0.00 0.37 0.00 0.00 175.52 175.84 1ug7 h LEU 77 N -0.09 -1.93 -1.67 0.00 3.38 0.13 1.05 115.31 116.18 1ug7 h LEU 77 Ca 0.01 0.27 0.50 0.00 0.09 0.00 0.00 57.88 58.75 1ug7 h LEU 77 Cb 0.16 0.81 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 1ug7 h LEU 77 CO -0.00 -0.36 1.09 -0.33 0.09 0.00 0.00 178.44 178.93 1ug7 h GLU 78 N -0.28 0.03 0.11 1.13 5.08 -1.16 1.04 114.58 120.53 1ug7 h GLU 78 Ca 0.10 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1ug7 h GLU 78 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ug7 h GLU 78 CO -0.69 0.02 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.21 1ug7 h LEU 79 N 0.03 -0.13 0.26 1.33 3.38 0.11 -1.78 115.31 118.52 1ug7 h LEU 79 Ca 0.87 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1ug7 h LEU 79 Cb 3.11 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 43.88 1ug7 h LEU 79 CO -0.24 0.42 -0.28 -0.09 0.09 0.00 0.00 178.44 178.34 1ug7 h ARG 80 N -0.75 -0.53 -0.48 1.13 9.65 0.22 1.12 114.38 124.74 1ug7 h ARG 80 Ca -0.02 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 1ug7 h ARG 80 Cb 0.55 0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 29.15 1ug7 h ARG 80 CO 0.03 -0.35 -0.45 0.77 2.80 0.00 0.00 179.97 182.77 1ug7 h SER 81 N -0.55 -1.51 -0.17 -3.80 0.02 -0.97 0.12 113.55 106.69 1ug7 h SER 81 Ca -0.03 0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1ug7 h SER 81 Cb 0.48 0.66 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 1ug7 h SER 81 CO -0.05 -0.36 -0.18 0.00 -1.14 0.00 0.00 176.83 175.11 1ug7 h ALA 82 N 0.46 -0.08 -1.00 3.77 0.00 -1.14 0.49 119.26 121.77 1ug7 h ALA 82 Ca 0.15 0.06 0.40 0.00 0.00 0.00 0.00 54.91 55.52 1ug7 h ALA 82 Cb 0.58 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 18.56 1ug7 h ALA 82 CO -0.63 -0.62 0.51 0.00 0.00 0.00 0.00 179.25 178.52 1ug7 h ALA 83 N 0.86 2.08 0.29 0.00 0.00 0.33 1.64 119.26 124.47 1ug7 h ALA 83 Ca 0.11 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 83 Cb 0.37 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ug7 h ALA 83 CO -0.29 -0.89 -0.14 -0.07 0.00 0.00 0.00 179.25 177.85 1ug7 h LEU 84 N 0.04 -0.33 -0.28 0.00 3.38 0.11 -3.19 115.31 115.04 1ug7 h LEU 84 Ca 0.82 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.64 1ug7 h LEU 84 Cb 2.12 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.94 1ug7 h LEU 84 CO -0.76 0.00 0.14 1.56 0.09 0.00 0.00 178.44 179.47 1ug7 h GLN 85 N -0.70 0.29 -6.53 1.13 4.20 0.15 -3.43 115.11 110.21 1ug7 h GLN 85 Ca -0.04 -0.02 -0.56 0.00 0.06 0.00 0.00 58.65 58.09 1ug7 h GLN 85 Cb 0.48 -0.06 0.20 0.00 0.30 0.00 0.00 27.48 28.39 1ug7 h GLN 85 CO 0.07 0.19 -0.66 0.43 -0.67 0.00 0.00 178.83 178.18 1ug7 n SER 86 N -4.97 -2.11 0.07 1.46 7.64 0.48 -4.94 113.62 111.26 1ug7 n SER 86 Ca -0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1ug7 n SER 86 Cb 0.06 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1ug7 n SER 86 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ug7 n THR 87 N -2.48 0.01 -0.36 0.44 -1.04 -1.26 -4.90 114.28 104.69 1ug7 n THR 87 Ca 0.08 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.11 1ug7 n THR 87 Cb 0.51 -0.27 0.07 0.00 -1.82 0.00 0.00 70.33 68.82 1ug7 n THR 87 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1ug7 n GLN 88 N -2.99 -0.18 -2.39 -2.82 -0.06 -1.26 -4.41 117.38 103.27 1ug7 n GLN 88 Ca 0.00 1.49 -0.25 0.00 -2.00 0.00 0.00 57.00 56.24 1ug7 n GLN 88 Cb 0.00 -2.21 0.05 0.00 -4.06 0.00 0.00 30.24 24.02 1ug7 n GLN 88 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1ug7 s SER 89 N -5.31 5.14 -0.37 1.69 0.01 -1.26 -5.04 113.70 108.56 1ug7 s SER 89 Ca -0.14 0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.56 1ug7 s SER 89 Cb 0.22 -1.19 0.26 0.00 0.21 0.00 0.00 66.02 65.52 1ug7 s SER 89 CO 0.71 -1.33 1.23 1.67 0.41 0.00 0.00 173.24 175.93 1ug7 n GLN 90 N -2.66 0.74 -1.14 12.44 7.27 -1.26 -4.96 117.38 127.81 1ug7 n GLN 90 Ca 0.07 -1.35 0.01 0.00 0.07 0.00 0.00 57.00 55.79 1ug7 n GLN 90 Cb 0.60 -0.13 -0.00 0.00 2.41 0.00 0.00 30.24 33.11 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 -0.40 0.00 0.00 3.69 2.13 -1.26 -5.10 120.64 119.70 1ug7 n GLU 91 Ca -0.11 -1.45 0.00 0.00 0.66 0.00 0.00 57.16 56.25 1ug7 n GLU 91 Cb 0.76 0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.49 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ug7 n GLU 92 N 0.26 3.40 -2.57 5.31 4.71 -1.26 -5.03 120.64 125.46 1ug7 n GLU 92 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.75 1ug7 n GLU 92 Cb 0.92 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 31.31 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1ug7 s PHE 93 N 0.89 3.33 0.00 -0.32 5.36 -1.26 -5.06 117.98 120.92 1ug7 s PHE 93 Ca 0.00 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 1ug7 s PHE 93 Cb 0.00 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 1ug7 s PHE 93 CO 0.00 -0.51 0.00 0.36 -1.46 0.00 0.00 175.22 173.61 1ug7 n LYS 94 N 0.05 1.34 0.03 10.12 2.85 -1.26 -4.70 118.16 126.58 1ug7 n LYS 94 Ca 0.04 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.24 1ug7 n LYS 94 Cb 0.50 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.83 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 -0.15 -0.30 -5.58 3.38 -1.98 -2.99 115.31 107.69 1ug7 h LEU 95 Ca 0.00 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1ug7 h LEU 95 Cb 0.00 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1ug7 h LEU 95 CO 0.00 0.42 -0.39 1.05 0.09 0.00 0.00 178.44 179.61 1ug7 h GLU 96 N -0.99 -0.34 0.00 1.13 4.11 -1.97 1.91 114.58 118.43 1ug7 h GLU 96 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ug7 h GLU 96 Cb 0.38 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ug7 h GLU 96 CO 0.03 -0.23 0.24 -0.44 0.07 0.00 0.00 179.01 178.69 1ug7 h ASP 97 N -0.36 0.00 0.09 3.06 5.19 -1.98 0.23 116.42 122.66 1ug7 h ASP 97 Ca 0.13 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.18 1ug7 h ASP 97 Cb 0.58 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 1ug7 h ASP 97 CO -0.50 0.00 -2.03 -0.11 -3.12 0.00 0.00 179.24 173.48 1ug7 n LEU 98 N -2.83 2.61 0.02 1.55 7.94 0.38 -3.86 117.00 122.81 1ug7 n LEU 98 Ca -0.02 0.17 0.04 0.00 -1.11 0.00 0.00 56.01 55.09 1ug7 n LEU 98 Cb 0.29 -1.06 0.19 0.00 0.53 0.00 0.00 43.42 43.37 1ug7 n LEU 98 CO 0.14 0.81 0.63 0.29 -1.11 0.00 0.00 177.39 178.15 1ug7 n LYS 99 N -3.55 0.02 0.00 1.96 4.01 0.56 -0.64 118.16 120.51 1ug7 n LYS 99 Ca -0.35 0.41 0.13 0.00 -0.51 0.00 0.00 58.31 57.99 1ug7 n LYS 99 Cb 1.00 -1.55 0.76 0.00 -0.51 0.00 0.00 35.03 34.73 1ug7 n LYS 99 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ug7 n LYS 100 N -1.59 0.94 0.00 1.97 5.02 -0.09 -2.18 118.16 122.22 1ug7 n LYS 100 Ca 0.01 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.39 1ug7 n LYS 100 Cb 0.08 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.93 0.94 -0.04 -0.35 4.77 0.18 -3.87 117.00 117.70 1ug7 n LEU 101 Ca 0.19 -0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 55.52 1ug7 n LEU 101 Cb 0.09 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1ug7 n LEU 101 CO 0.14 0.23 0.50 -0.08 -1.33 0.00 0.00 177.39 176.86 1ug7 h GLU 102 N 0.10 0.39 -0.04 3.23 4.81 -1.59 -1.95 114.58 119.53 1ug7 h GLU 102 Ca 0.00 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 58.74 1ug7 h GLU 102 Cb 0.46 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ug7 h GLU 102 CO 0.00 0.87 -0.88 -1.00 -0.73 0.00 0.00 179.01 177.27 1ug7 h PRO 103 N -0.02 0.49 -0.48 0.92 0.13 -1.76 -2.54 132.00 128.74 1ug7 h PRO 103 Ca 0.00 -0.48 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ug7 h PRO 103 Cb 0.87 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1ug7 h PRO 103 CO 0.06 1.12 0.30 0.82 -0.23 0.00 0.00 178.00 180.07 1ug7 h ILE 104 N 0.30 1.14 -0.21 -3.56 2.04 -1.67 1.60 117.51 117.16 1ug7 h ILE 104 Ca -0.07 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1ug7 h ILE 104 Cb 1.50 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1ug7 h ILE 104 CO 0.16 0.14 -0.13 -0.07 0.00 0.00 0.00 178.15 178.25 1ug7 h LEU 105 N 0.64 0.33 0.03 1.44 3.38 -1.36 0.24 115.31 120.01 1ug7 h LEU 105 Ca 0.17 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 1ug7 h LEU 105 Cb -0.03 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ug7 h LEU 105 CO -0.03 0.49 -0.91 0.11 0.09 0.00 0.00 178.44 178.19 1ug7 h LYS 106 N 0.32 0.57 -0.84 1.13 1.57 -0.82 -3.07 116.57 115.44 1ug7 h LYS 106 Ca 0.06 -0.65 -0.05 0.00 -1.87 0.00 0.00 60.65 58.15 1ug7 h LYS 106 Cb 0.44 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1ug7 h LYS 106 CO 0.03 1.25 0.06 0.09 -0.57 0.00 0.00 179.45 180.31 1ug7 n ASN 107 N -3.99 3.31 -0.36 0.86 3.02 0.54 -4.26 115.26 114.38 1ug7 n ASN 107 Ca -0.11 -2.51 0.07 0.00 -0.03 0.00 0.00 54.58 51.99 1ug7 n ASN 107 Cb 0.82 -0.61 0.23 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.66 0.94 -0.30 2.41 1.08 -0.43 1.62 117.51 124.50 1ug7 h ILE 108 Ca 0.06 -0.35 -0.09 0.00 -0.39 0.00 0.00 64.86 64.09 1ug7 h ILE 108 Cb 1.35 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1ug7 h ILE 108 CO 0.30 0.19 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.70 1ug7 h LEU 109 N 1.02 0.67 -4.37 1.44 3.38 -1.85 -3.16 115.31 112.44 1ug7 h LEU 109 Ca 0.49 -0.42 -0.66 0.00 0.09 0.00 0.00 57.88 57.37 1ug7 h LEU 109 Cb 0.45 -0.19 -0.34 0.00 0.09 0.00 0.00 40.66 40.67 1ug7 h LEU 109 CO -0.25 0.95 0.29 1.07 0.09 0.00 0.00 178.44 180.58 1ug7 n THR 110 N -4.37 3.16 -0.03 0.22 5.66 -0.20 -4.55 114.28 114.16 1ug7 n THR 110 Ca -0.03 -4.01 -0.17 0.00 -3.05 0.00 0.00 64.05 56.79 1ug7 n THR 110 Cb 0.40 -1.20 -0.14 0.00 -1.55 0.00 0.00 70.33 67.84 1ug7 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ug7 n TYR 111 N -0.67 0.87 0.00 1.09 9.36 0.54 -4.90 117.16 123.44 1ug7 n TYR 111 Ca 0.52 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.96 1ug7 n TYR 111 Cb 0.59 -1.13 0.00 0.00 -0.63 0.00 0.00 39.34 38.17 1ug7 n TYR 111 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1ug7 n ASN 112 N -3.27 0.00 -1.80 2.98 3.02 -1.26 -4.66 115.26 110.27 1ug7 n ASN 112 Ca -0.31 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.25 1ug7 n ASN 112 Cb 1.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ug7 n LYS 113 N 0.00 0.07 -1.57 3.52 5.02 -1.26 -4.78 118.16 119.16 1ug7 n LYS 113 Ca 0.00 -0.24 -0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1ug7 n LYS 113 Cb 0.00 0.39 -0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ug7 n GLU 114 N -0.26 -0.26 -3.47 1.97 4.07 -1.26 -5.05 120.64 116.38 1ug7 n GLU 114 Ca 0.01 0.67 -0.33 0.00 -0.06 0.00 0.00 57.16 57.45 1ug7 n GLU 114 Cb 0.17 -1.25 -0.05 0.00 -0.06 0.00 0.00 31.44 30.24 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1ug7 s PHE 115 N -0.05 3.50 -1.66 4.31 5.36 -1.26 -4.96 117.98 123.21 1ug7 s PHE 115 Ca -0.01 0.85 0.23 0.00 -0.96 0.00 0.00 56.93 57.04 1ug7 s PHE 115 Cb 0.00 -2.23 1.26 0.00 -0.34 0.00 0.00 43.02 41.71 1ug7 s PHE 115 CO 0.05 0.37 1.76 -0.35 -1.46 0.00 0.00 175.22 175.59 1ug7 n PRO 116 N 0.29 0.49 -4.19 10.12 -0.04 -1.26 -4.79 135.00 135.62 1ug7 n PRO 116 Ca -0.03 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1ug7 n PRO 116 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.34 1.10 -0.57 0.54 0.08 -1.26 -5.11 117.98 110.42 1ug7 s PHE 117 Ca 0.27 -1.34 -0.01 0.00 0.12 0.00 0.00 56.93 55.98 1ug7 s PHE 117 Cb 0.16 -0.52 0.15 0.00 -0.57 0.00 0.00 43.02 42.24 1ug7 s PHE 117 CO 0.32 -0.65 0.36 -0.51 -0.10 0.00 0.00 175.22 174.63 1ug7 s ASP 118 N -3.15 4.99 -0.04 1.36 1.01 -1.26 -5.05 116.67 114.54 1ug7 s ASP 118 Ca 0.37 -2.80 0.01 0.00 0.71 0.00 0.00 52.55 50.84 1ug7 s ASP 118 Cb 0.07 -1.79 0.02 0.00 1.01 0.00 0.00 42.92 42.23 1ug7 s ASP 118 CO 0.11 -0.35 -0.04 0.68 0.21 0.00 0.00 175.17 175.78 1ug7 s VAL 119 N 0.01 0.50 0.48 -1.27 -7.23 -1.26 -5.13 120.40 106.50 1ug7 s VAL 119 Ca 0.16 -0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 59.99 1ug7 s VAL 119 Cb -0.22 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 36.13 1ug7 s VAL 119 CO -0.03 0.21 1.35 -1.10 -0.31 0.00 0.00 175.10 175.22 1ug7 s GLN 120 N 0.88 3.51 0.49 4.82 -0.21 -1.26 -4.79 119.66 123.09 1ug7 s GLN 120 Ca -0.11 2.23 -0.20 0.00 0.02 0.00 0.00 55.36 57.29 1ug7 s GLN 120 Cb -0.14 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.31 1ug7 s GLN 120 CO 0.00 -0.89 1.04 -1.25 -2.12 0.00 0.00 175.29 172.06 1ug7 s PRO 121 N -2.64 3.80 -0.01 2.91 0.04 -1.26 -4.56 135.00 133.28 1ug7 s PRO 121 Ca 0.65 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1ug7 s PRO 121 Cb -0.40 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1ug7 s PRO 121 CO 0.49 -0.43 0.77 0.42 0.04 0.00 0.00 177.00 178.28 1ug7 s ILE 122 N -1.98 4.88 0.38 0.56 1.01 -1.26 -4.81 121.20 119.97 1ug7 s ILE 122 Ca 0.67 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.93 1ug7 s ILE 122 Cb -0.16 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1ug7 s ILE 122 CO 0.20 0.29 0.00 -0.24 0.00 0.00 0.00 174.94 175.19 1ug7 n SER 123 N 3.33 -6.51 0.00 3.58 2.88 -1.26 -4.66 113.62 110.98 1ug7 n SER 123 Ca -0.01 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1ug7 n SER 123 Cb 0.51 -3.20 0.00 0.00 -0.75 0.00 0.00 64.21 60.77 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 -0.93 0.46 3.12 0.46 0.00 -1.26 -4.89 105.19 102.15 1ug7 n GLY 124 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 2.22 -3.93 1.61 -0.04 -1.26 -4.84 135.00 128.76 1ug7 n PRO 125 Ca 0.00 -2.40 -0.10 0.00 -0.04 0.00 0.00 63.50 60.96 1ug7 n PRO 125 Cb 0.00 -3.25 -0.11 0.00 -0.04 0.00 0.00 33.50 30.11 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 4.50 0.14 -0.07 3.54 0.15 -1.26 -5.11 113.70 115.58 1ug7 s SER 126 Ca 0.55 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.83 1ug7 s SER 126 Cb 0.11 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1ug7 s SER 126 CO 0.05 -0.30 0.13 -0.55 1.20 0.00 0.00 173.24 173.76 1ug7 s SER 127 N -1.32 0.79 0.00 5.45 0.15 -1.26 -5.07 113.70 112.45 1ug7 s SER 127 Ca -0.14 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1ug7 s SER 127 Cb -0.08 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1ug7 s SER 127 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81