#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug7 s SER 2 N 0.00 5.94 0.17 1.61 0.15 -1.26 -4.32 113.70 115.99 1ug7 s SER 2 Ca 0.00 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1ug7 s SER 2 Cb 0.00 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1ug7 s SER 2 CO 0.00 0.37 0.00 -0.24 1.20 0.00 0.00 173.24 174.57 1ug7 n SER 3 N 2.23 0.06 -0.87 5.45 2.88 -1.26 -4.82 113.62 117.28 1ug7 n SER 3 Ca -0.19 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1ug7 n SER 3 Cb 0.54 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 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 1.88 0.04 3.18 0.46 0.00 -1.26 -5.11 105.19 104.38 1ug7 n GLY 4 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1ug7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug7 s SER 5 N -1.30 2.38 0.11 1.61 0.01 -1.25 -5.13 113.70 110.13 1ug7 s SER 5 Ca 0.00 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1ug7 s SER 5 Cb 0.00 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1ug7 s SER 5 CO 0.00 0.20 -0.05 -0.44 0.41 0.00 0.00 173.24 173.36 1ug7 s SER 6 N -0.13 1.08 0.00 2.44 0.01 -1.26 -3.45 113.70 112.39 1ug7 s SER 6 Ca -0.01 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1ug7 s SER 6 Cb -0.11 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1ug7 s SER 6 CO 0.02 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1ug7 n GLY 7 N -0.08 0.14 1.90 3.44 0.00 -1.24 -5.02 105.19 104.32 1ug7 n GLY 7 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.30 0.00 1.61 1.56 -1.26 -5.08 117.12 108.65 1ug7 n MET 8 Ca 0.00 3.82 0.00 0.00 -0.27 0.00 0.00 57.70 61.25 1ug7 n MET 8 Cb 0.00 -4.20 0.00 0.00 2.15 0.00 0.00 33.22 31.17 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 0.61 0.00 -0.00 6.12 7.64 -1.26 -4.94 113.62 121.79 1ug7 n SER 9 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1ug7 n SER 9 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.17 1.07 -0.07 1.43 0.28 -1.26 -3.82 120.64 118.10 1ug7 n GLU 10 Ca 0.00 -0.04 -0.14 0.00 -0.16 0.00 0.00 57.16 56.82 1ug7 n GLU 10 Cb 0.00 -1.07 -0.13 0.00 1.43 0.00 0.00 31.44 31.67 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1ug7 h VAL 11 N 0.00 1.79 0.07 3.84 -1.51 -1.99 -2.98 116.25 115.47 1ug7 h VAL 11 Ca 0.00 -2.34 -0.21 0.00 -1.23 0.00 0.00 66.70 62.92 1ug7 h VAL 11 Cb 0.25 3.38 0.02 0.00 -2.13 0.00 0.00 31.29 32.81 1ug7 h VAL 11 CO 0.00 0.61 -0.87 0.74 -1.23 0.00 0.00 177.57 176.81 1ug7 h THR 12 N -1.00 1.40 -0.06 7.19 2.02 -1.93 -3.17 112.91 117.36 1ug7 h THR 12 Ca -0.00 -2.32 0.04 0.00 0.77 0.00 0.00 66.41 64.90 1ug7 h THR 12 Cb 0.99 2.78 -0.06 0.00 -1.74 0.00 0.00 68.15 70.13 1ug7 h THR 12 CO 0.00 0.68 -0.34 -0.09 0.37 0.00 0.00 175.52 176.14 1ug7 h ARG 13 N -0.04 -0.44 -0.97 6.66 2.43 -1.73 0.24 114.38 120.53 1ug7 h ARG 13 Ca -0.13 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.26 1ug7 h ARG 13 Cb 1.60 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 31.16 1ug7 h ARG 13 CO 0.17 -0.30 0.61 0.77 -1.51 0.00 0.00 179.97 179.71 1ug7 h SER 14 N -0.46 0.64 -0.63 -3.80 0.02 -1.63 0.16 113.55 107.85 1ug7 h SER 14 Ca 0.07 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 1ug7 h SER 14 Cb 0.58 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.98 1ug7 h SER 14 CO -0.32 0.25 0.18 0.25 -1.14 0.00 0.00 176.83 176.05 1ug7 h LEU 15 N 0.63 0.11 -1.98 5.07 6.46 -0.92 0.97 115.31 125.65 1ug7 h LEU 15 Ca 0.53 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 58.41 1ug7 h LEU 15 Cb 0.99 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1ug7 h LEU 15 CO -0.29 0.06 0.35 -0.07 -0.62 0.00 0.00 178.44 177.87 1ug7 h LEU 16 N 0.33 0.00 0.00 2.25 3.38 -0.28 0.14 115.31 121.13 1ug7 h LEU 16 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1ug7 h LEU 16 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ug7 h LEU 16 CO -0.38 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.15 1ug7 n GLN 17 N -3.01 0.00 -0.34 1.13 6.02 0.32 -3.33 117.38 118.18 1ug7 n GLN 17 Ca -0.01 0.21 0.20 0.00 -0.01 0.00 0.00 57.00 57.39 1ug7 n GLN 17 Cb 0.42 -0.65 0.38 0.00 1.02 0.00 0.00 30.24 31.41 1ug7 n GLN 17 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1ug7 n ARG 18 N -1.85 -0.07 0.18 -1.09 1.85 -0.47 0.17 116.66 115.37 1ug7 n ARG 18 Ca 0.00 1.46 -0.10 0.00 -1.00 0.00 0.00 57.85 58.21 1ug7 n ARG 18 Cb 0.00 -2.40 -0.05 0.00 -1.05 0.00 0.00 32.46 28.96 1ug7 n ARG 18 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 1ug7 h TRP 19 N 0.00 -0.76 -0.78 2.89 6.55 -0.92 0.19 115.95 123.12 1ug7 h TRP 19 Ca 0.67 0.00 0.12 0.00 0.95 0.00 0.00 58.89 60.64 1ug7 h TRP 19 Cb 1.53 0.29 -0.05 0.00 -0.86 0.00 0.00 29.16 30.06 1ug7 h TRP 19 CO -0.37 -0.38 0.51 0.78 -1.05 0.00 0.00 178.44 177.94 1ug7 h GLY 20 N -0.58 0.93 0.97 1.49 0.00 -0.38 0.69 103.07 106.18 1ug7 h GLY 20 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1ug7 h GLY 20 CO -0.01 0.11 0.62 0.00 0.00 0.00 0.00 176.54 177.26 1ug7 h ALA 21 N 1.62 1.20 0.67 3.60 0.00 0.23 0.11 119.26 126.70 1ug7 h ALA 21 Ca 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1ug7 h ALA 21 Cb 0.64 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ug7 h ALA 21 CO -0.14 0.55 -0.32 0.77 0.00 0.00 0.00 179.25 180.11 1ug7 h SER 22 N 1.24 -0.77 0.14 0.00 0.02 0.17 -1.33 113.55 113.02 1ug7 h SER 22 Ca 0.35 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1ug7 h SER 22 Cb -0.11 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1ug7 h SER 22 CO -0.09 -0.52 -0.45 0.25 -1.14 0.00 0.00 176.83 174.88 1ug7 h LEU 23 N -0.95 -1.33 -0.87 5.07 5.85 -1.17 0.49 115.31 122.40 1ug7 h LEU 23 Ca -0.09 0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1ug7 h LEU 23 Cb 0.71 0.49 -0.15 0.00 0.37 0.00 0.00 40.66 42.09 1ug7 h LEU 23 CO 0.15 -0.51 -0.38 0.03 -0.34 0.00 0.00 178.44 177.39 1ug7 h ARG 24 N -0.69 -0.05 0.50 1.25 2.47 -0.75 0.70 114.38 117.81 1ug7 h ARG 24 Ca 0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1ug7 h ARG 24 Cb 0.71 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1ug7 h ARG 24 CO -0.25 -0.03 -0.24 -0.09 0.56 0.00 0.00 179.97 179.92 1ug7 h ARG 25 N -0.05 -0.65 -1.54 0.04 2.43 -0.49 -1.41 114.38 112.72 1ug7 h ARG 25 Ca 0.31 0.04 0.46 0.00 -0.81 0.00 0.00 59.98 59.99 1ug7 h ARG 25 Cb 0.58 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 1ug7 h ARG 25 CO -0.90 -0.41 1.07 0.78 -1.51 0.00 0.00 179.97 179.00 1ug7 h GLY 26 N -0.71 0.52 0.12 2.80 0.00 0.20 0.69 103.07 106.69 1ug7 h GLY 26 Ca -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ug7 h GLY 26 CO 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 176.54 176.50 1ug7 h ALA 27 N 1.33 -0.01 -1.16 3.60 0.00 -0.34 -2.67 119.26 120.01 1ug7 h ALA 27 Ca 0.80 -0.43 0.36 0.00 0.00 0.00 0.00 54.91 55.65 1ug7 h ALA 27 Cb 2.93 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 20.60 1ug7 h ALA 27 CO -0.17 -0.06 0.73 -0.44 0.00 0.00 0.00 179.25 179.31 1ug7 h ASP 28 N -0.89 0.36 0.05 0.00 5.19 0.14 0.37 116.42 121.65 1ug7 h ASP 28 Ca -0.00 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1ug7 h ASP 28 Cb 0.86 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1ug7 h ASP 28 CO 0.00 -0.10 -0.03 -0.26 -3.12 0.00 0.00 179.24 175.73 1ug7 h PHE 29 N 0.22 -0.07 0.00 4.55 0.04 -1.25 -3.00 116.94 117.44 1ug7 h PHE 29 Ca 0.74 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.54 1ug7 h PHE 29 Cb 2.07 0.02 -0.05 0.00 2.20 0.00 0.00 35.95 40.19 1ug7 h PHE 29 CO -0.01 0.51 -0.40 0.22 -0.60 0.00 0.00 178.31 178.03 1ug7 h ASP 30 N -0.71 -1.21 -0.12 2.17 1.82 -0.08 0.82 116.42 119.11 1ug7 h ASP 30 Ca -0.01 0.15 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1ug7 h ASP 30 Cb 0.60 0.48 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 1ug7 h ASP 30 CO 0.01 -0.45 -0.09 0.28 -1.61 0.00 0.00 179.24 177.38 1ug7 h SER 31 N -0.56 -0.33 -0.00 2.28 0.02 -0.64 -2.59 113.55 111.72 1ug7 h SER 31 Ca 0.05 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ug7 h SER 31 Cb 0.64 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1ug7 h SER 31 CO -0.31 -0.05 -0.02 -0.50 -1.14 0.00 0.00 176.83 174.82 1ug7 h TRP 32 N -0.03 -0.06 0.00 3.45 6.55 -1.35 -3.46 115.95 121.06 1ug7 h TRP 32 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1ug7 h TRP 32 Cb 0.08 0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1ug7 h TRP 32 CO -0.81 -0.02 0.00 0.41 -1.05 0.00 0.00 178.44 176.97 1ug7 n GLY 33 N -1.02 0.00 2.59 1.49 0.00 0.15 -5.09 105.19 103.32 1ug7 n GLY 33 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.09 0.36 1.61 1.13 0.24 -4.89 117.38 118.91 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 -2.32 -0.09 0.00 0.11 0.00 0.00 30.24 27.94 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 4.35 -1.07 -0.11 1.08 3.38 -1.89 0.96 115.31 122.00 1ug7 h LEU 35 Ca 0.20 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1ug7 h LEU 35 Cb 0.63 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1ug7 h LEU 35 CO 0.95 -0.64 -0.10 1.62 0.09 0.00 0.00 178.44 180.37 1ug7 h VAL 36 N -1.01 0.00 -0.76 1.22 3.04 -1.98 1.51 116.25 118.27 1ug7 h VAL 36 Ca -0.08 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.75 1ug7 h VAL 36 Cb 0.83 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 30.01 1ug7 h VAL 36 CO 0.06 0.00 0.33 -0.33 -1.01 0.00 0.00 177.57 176.62 1ug7 h GLU 37 N -0.04 0.47 0.35 4.17 5.08 -1.96 -1.49 114.58 121.17 1ug7 h GLU 37 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ug7 h GLU 37 Cb 0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ug7 h GLU 37 CO -0.12 0.31 -0.35 0.00 -1.00 0.00 0.00 179.01 177.85 1ug7 h ALA 38 N 1.53 -1.03 -0.92 3.43 0.00 0.33 -1.51 119.26 121.09 1ug7 h ALA 38 Ca 0.41 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1ug7 h ALA 38 Cb 0.60 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1ug7 h ALA 38 CO -0.38 -1.05 -0.57 0.82 0.00 0.00 0.00 179.25 178.07 1ug7 h ILE 39 N -0.70 0.00 -0.90 0.00 2.04 0.26 0.29 117.51 118.51 1ug7 h ILE 39 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1ug7 h ILE 39 Cb 0.61 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.56 1ug7 h ILE 39 CO -0.04 0.00 -0.53 -0.78 0.00 0.00 0.00 178.15 176.79 1ug7 h ASP 40 N -0.05 -1.92 0.00 1.72 3.58 -1.03 0.75 116.42 119.47 1ug7 h ASP 40 Ca 0.16 0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1ug7 h ASP 40 Cb 0.45 0.87 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 1ug7 h ASP 40 CO -0.90 -0.27 -0.07 -0.08 -2.88 0.00 0.00 179.24 175.04 1ug7 h GLU 41 N -0.06 -0.09 -0.63 0.28 4.57 0.54 0.68 114.58 119.86 1ug7 h GLU 41 Ca 0.19 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1ug7 h GLU 41 Cb 0.48 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.00 1ug7 h GLU 41 CO -0.89 -0.06 -0.54 1.88 -1.18 0.00 0.00 179.01 178.22 1ug7 h TYR 42 N -0.09 -1.70 -0.04 0.92 0.05 -0.02 0.29 116.97 116.38 1ug7 h TYR 42 Ca 0.00 0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.90 1ug7 h TYR 42 Cb 0.09 0.82 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 1ug7 h TYR 42 CO -0.36 -0.42 -0.42 1.96 -1.05 0.00 0.00 178.16 177.87 1ug7 h GLN 43 N -0.21 -0.48 -0.82 4.88 4.20 0.67 0.30 115.11 123.64 1ug7 h GLN 43 Ca 0.10 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.98 1ug7 h GLN 43 Cb 0.49 0.11 -0.14 0.00 0.30 0.00 0.00 27.48 28.24 1ug7 h GLN 43 CO -0.71 -0.32 -0.38 0.82 -0.67 0.00 0.00 178.83 177.57 1ug7 h ILE 44 N -0.50 0.07 -1.00 2.54 5.03 0.12 1.48 117.51 125.25 1ug7 h ILE 44 Ca 0.01 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.89 1ug7 h ILE 44 Cb 0.55 0.07 -0.09 0.00 -3.03 0.00 0.00 36.82 34.32 1ug7 h ILE 44 CO -0.30 0.00 0.63 0.25 -0.68 0.00 0.00 178.15 178.05 1ug7 h LEU 45 N -0.08 0.89 -0.16 1.44 5.85 0.48 0.15 115.31 123.89 1ug7 h LEU 45 Ca 0.28 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1ug7 h LEU 45 Cb 0.57 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ug7 h LEU 45 CO -0.86 0.45 0.02 0.00 -0.34 0.00 0.00 178.44 177.72 1ug7 h ALA 46 N 1.56 0.15 -0.39 1.25 0.00 0.57 0.19 119.26 122.58 1ug7 h ALA 46 Ca 0.51 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.49 1ug7 h ALA 46 Cb 0.57 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1ug7 h ALA 46 CO -0.28 -0.42 0.17 0.00 0.00 0.00 0.00 179.25 178.72 1ug7 h ARG 47 N 0.08 0.34 -0.15 0.00 3.08 0.10 -2.33 114.38 115.51 1ug7 h ARG 47 Ca 0.07 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1ug7 h ARG 47 Cb 0.07 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1ug7 h ARG 47 CO -0.10 0.23 -0.13 0.45 -1.07 0.00 0.00 179.97 179.34 1ug7 h HIS 48 N 0.35 -0.32 -0.89 3.04 3.86 -0.55 -1.00 115.15 119.64 1ug7 h HIS 48 Ca 0.17 0.02 0.23 0.00 -1.16 0.00 0.00 60.37 59.64 1ug7 h HIS 48 Cb 0.12 0.17 -0.16 0.00 1.06 0.00 0.00 27.41 28.60 1ug7 h HIS 48 CO -0.12 -0.19 0.08 -0.07 0.86 0.00 0.00 177.93 178.49 1ug7 h LEU 49 N -0.15 -0.30 -0.28 2.43 3.38 -0.44 0.66 115.31 120.61 1ug7 h LEU 49 Ca 0.10 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.31 1ug7 h LEU 49 Cb 0.29 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ug7 h LEU 49 CO -0.23 -0.25 0.15 1.56 0.09 0.00 0.00 178.44 179.75 1ug7 h GLN 50 N 0.09 0.30 -1.78 1.13 4.20 -0.87 0.18 115.11 118.36 1ug7 h GLN 50 Ca 0.53 -0.02 0.54 0.00 0.06 0.00 0.00 58.65 59.76 1ug7 h GLN 50 Cb 1.06 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.68 1ug7 h GLN 50 CO -0.77 0.20 1.25 -0.22 -0.67 0.00 0.00 178.83 178.62 1ug7 h LYS 51 N 0.31 0.01 0.03 1.46 1.63 0.10 1.81 116.57 121.92 1ug7 h LYS 51 Ca 0.11 -0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.55 1ug7 h LYS 51 Cb 0.02 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 1ug7 h LYS 51 CO -0.07 0.00 -2.21 0.39 -3.45 0.00 0.00 179.45 174.11 1ug7 n GLU 52 N -4.17 0.68 0.23 1.90 -0.58 -0.47 -2.52 120.64 115.71 1ug7 n GLU 52 Ca 0.42 0.16 -0.09 0.00 -0.42 0.00 0.00 57.16 57.23 1ug7 n GLU 52 Cb 1.86 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 31.07 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 0.42 -0.75 -0.19 0.62 0.00 0.47 -3.29 119.26 116.54 1ug7 h ALA 53 Ca -0.49 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1ug7 h ALA 53 Cb 2.04 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 1ug7 h ALA 53 CO 0.01 -0.70 -0.40 -0.56 0.00 0.00 0.00 179.25 177.60 1ug7 h GLN 54 N -0.94 0.44 -6.97 0.00 3.07 0.19 -3.46 115.11 107.44 1ug7 h GLN 54 Ca -0.06 -0.22 -0.59 0.00 0.09 0.00 0.00 58.65 57.88 1ug7 h GLN 54 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 1ug7 h GLN 54 CO 0.10 0.77 -1.01 0.00 0.09 0.00 0.00 178.83 178.79 1ug7 n ALA 55 N -2.49 -2.60 -0.10 0.06 0.00 -1.05 -1.23 120.51 113.10 1ug7 n ALA 55 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1ug7 n ALA 55 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1ug7 n ALA 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug7 n GLN 56 N -4.79 0.00 -0.00 0.00 1.13 -1.26 -3.85 117.38 108.61 1ug7 n GLN 56 Ca -0.13 0.45 -0.11 0.00 -1.94 0.00 0.00 57.00 55.28 1ug7 n GLN 56 Cb 0.56 -1.11 -0.09 0.00 0.11 0.00 0.00 30.24 29.71 1ug7 n GLN 56 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ug7 h HIS 57 N 0.00 -0.09 -3.64 1.08 2.76 -1.90 -3.43 115.15 109.92 1ug7 h HIS 57 Ca 0.00 -0.00 -0.47 0.00 -2.20 0.00 0.00 60.37 57.70 1ug7 h HIS 57 Cb 0.00 0.03 0.06 0.00 1.55 0.00 0.00 27.41 29.05 1ug7 h HIS 57 CO 0.07 0.46 0.18 -0.80 -1.30 0.00 0.00 177.93 176.54 1ug7 s ASN 58 N -5.73 5.40 -0.45 3.26 0.01 -1.26 -5.06 114.94 111.11 1ug7 s ASN 58 Ca -0.13 0.63 0.03 0.00 -0.71 0.00 0.00 52.86 52.68 1ug7 s ASN 58 Cb -0.01 -1.54 0.12 0.00 0.41 0.00 0.00 41.25 40.23 1ug7 s ASN 58 CO 0.50 -1.19 0.18 0.54 -1.51 0.00 0.00 177.10 175.62 1ug7 s ASN 59 N -4.36 4.58 0.10 -1.22 2.20 -1.26 -4.46 114.94 110.51 1ug7 s ASN 59 Ca 0.55 -2.62 -0.35 0.00 -0.94 0.00 0.00 52.86 49.51 1ug7 s ASN 59 Cb -0.11 -1.65 -0.18 0.00 -2.00 0.00 0.00 41.25 37.31 1ug7 s ASN 59 CO 0.45 -0.31 0.91 -0.24 -2.94 0.00 0.00 177.10 174.97 1ug7 n SER 60 N 3.65 -0.15 -1.30 3.54 2.88 -1.26 -4.73 113.62 116.25 1ug7 n SER 60 Ca 0.04 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.76 1ug7 n SER 60 Cb 0.37 -0.99 0.23 0.00 -0.75 0.00 0.00 64.21 63.07 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ug7 n GLU 61 N 1.40 3.17 -3.19 -1.46 1.02 -1.25 -3.88 120.64 116.45 1ug7 n GLU 61 Ca 0.18 -1.78 -0.19 0.00 -0.02 0.00 0.00 57.16 55.36 1ug7 n GLU 61 Cb 0.17 -1.93 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ug7 s PHE 62 N -1.99 2.41 0.38 -0.32 0.08 -1.22 -3.72 117.98 113.59 1ug7 s PHE 62 Ca 0.31 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 1ug7 s PHE 62 Cb 0.24 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1ug7 s PHE 62 CO 0.09 -0.52 0.60 -0.08 -0.10 0.00 0.00 175.22 175.21 1ug7 s THR 63 N -2.47 5.06 0.15 0.64 -1.32 -1.26 -4.71 115.64 111.73 1ug7 s THR 63 Ca 0.54 -0.30 -0.29 0.00 -1.21 0.00 0.00 61.69 60.42 1ug7 s THR 63 Cb -0.07 -3.86 -0.06 0.00 -1.51 0.00 0.00 72.50 66.99 1ug7 s THR 63 CO 0.32 -0.62 1.46 -0.62 -2.21 0.00 0.00 174.62 172.95 1ug7 n GLU 64 N -1.87 -0.42 -0.15 7.08 -0.58 -1.26 -0.58 120.64 122.86 1ug7 n GLU 64 Ca -0.04 1.43 -0.10 0.00 -0.42 0.00 0.00 57.16 58.04 1ug7 n GLU 64 Cb 0.56 -2.10 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 1ug7 n GLU 64 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ug7 h GLU 65 N 0.00 -0.22 -0.50 3.49 5.08 -1.99 0.25 114.58 120.69 1ug7 h GLU 65 Ca 0.15 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1ug7 h GLU 65 Cb 0.39 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1ug7 h GLU 65 CO -0.89 -0.15 -0.48 1.96 -1.00 0.00 0.00 179.01 178.45 1ug7 h GLN 66 N -0.23 -0.29 -0.58 2.33 7.50 -1.25 0.11 115.11 122.70 1ug7 h GLN 66 Ca 0.07 0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.35 1ug7 h GLN 66 Cb 0.42 0.07 -0.11 0.00 0.05 0.00 0.00 27.48 27.90 1ug7 h GLN 66 CO -0.51 -0.19 -0.27 0.87 -1.50 0.00 0.00 178.83 177.23 1ug7 h LYS 67 N -0.30 -0.11 -0.05 1.46 1.57 0.33 1.14 116.57 120.61 1ug7 h LYS 67 Ca 0.13 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1ug7 h LYS 67 Cb 0.58 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1ug7 h LYS 67 CO -0.64 -0.08 -0.49 0.87 -0.57 0.00 0.00 179.45 178.54 1ug7 h LYS 68 N -0.12 -0.56 -0.29 3.15 1.79 0.18 -0.28 116.57 120.44 1ug7 h LYS 68 Ca 0.25 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.82 1ug7 h LYS 68 Cb 0.52 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.24 1ug7 h LYS 68 CO -0.65 -0.37 -0.06 1.15 -1.08 0.00 0.00 179.45 178.44 1ug7 h THR 69 N -0.58 0.72 -0.85 -0.16 2.02 0.50 -0.27 112.91 114.29 1ug7 h THR 69 Ca 0.02 -0.01 0.15 0.00 0.77 0.00 0.00 66.41 67.34 1ug7 h THR 69 Cb 0.64 0.70 -0.15 0.00 -1.74 0.00 0.00 68.15 67.60 1ug7 h THR 69 CO -0.35 0.00 -0.30 0.40 0.37 0.00 0.00 175.52 175.64 1ug7 h ILE 70 N 0.02 0.10 0.63 3.11 2.04 0.21 0.23 117.51 123.85 1ug7 h ILE 70 Ca 0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1ug7 h ILE 70 Cb 0.21 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1ug7 h ILE 70 CO -0.29 0.00 -0.30 1.23 0.00 0.00 0.00 178.15 178.79 1ug7 h GLY 71 N -0.04 -0.88 -1.00 5.37 0.00 -0.16 -3.07 103.07 103.29 1ug7 h GLY 71 Ca 0.36 0.33 0.17 0.00 0.00 0.00 0.00 47.33 48.18 1ug7 h GLY 71 CO -0.88 -0.32 -0.36 0.28 0.00 0.00 0.00 176.54 175.26 1ug7 n LYS 72 N -5.40 -0.20 -0.29 4.80 5.02 -0.20 0.15 118.16 122.04 1ug7 n LYS 72 Ca -0.13 1.54 0.03 0.00 -2.02 0.00 0.00 58.31 57.74 1ug7 n LYS 72 Cb 0.36 -2.29 0.11 0.00 -0.02 0.00 0.00 35.03 33.20 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 0.19 0.27 -0.18 2.04 -0.54 0.18 117.51 119.47 1ug7 h ILE 73 Ca 0.38 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.24 1ug7 h ILE 73 Cb 0.63 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1ug7 h ILE 73 CO -1.00 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 176.71 1ug7 h ALA 74 N 1.82 -0.89 -0.95 1.87 0.00 0.14 -1.24 119.26 120.01 1ug7 h ALA 74 Ca 0.40 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.43 1ug7 h ALA 74 Cb 0.64 0.70 -0.18 0.00 0.00 0.00 0.00 17.79 18.95 1ug7 h ALA 74 CO -0.83 -1.05 -0.08 1.15 0.00 0.00 0.00 179.25 178.44 1ug7 h THR 75 N -0.78 0.06 -0.48 0.00 2.02 0.06 1.53 112.91 115.31 1ug7 h THR 75 Ca -0.01 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1ug7 h THR 75 Cb 0.74 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1ug7 h THR 75 CO -0.17 0.00 0.23 0.00 0.37 0.00 0.00 175.52 175.95 1ug7 h LEU 77 N 0.45 -1.23 -1.98 0.00 3.38 0.32 0.30 115.31 116.55 1ug7 h LEU 77 Ca 0.21 0.15 0.47 0.00 0.09 0.00 0.00 57.88 58.80 1ug7 h LEU 77 Cb 0.14 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1ug7 h LEU 77 CO -0.16 -0.45 1.17 -0.33 0.09 0.00 0.00 178.44 178.76 1ug7 h GLU 78 N -0.56 0.00 0.11 1.13 5.08 -0.52 0.36 114.58 120.17 1ug7 h GLU 78 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ug7 h GLU 78 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ug7 h GLU 78 CO -0.31 0.00 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.58 1ug7 h LEU 79 N 0.00 -0.12 -0.07 1.33 3.38 -0.20 -2.94 115.31 116.70 1ug7 h LEU 79 Ca 0.77 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.54 1ug7 h LEU 79 Cb 3.10 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 43.87 1ug7 h LEU 79 CO -0.01 0.45 -0.16 -0.09 0.09 0.00 0.00 178.44 178.72 1ug7 h ARG 80 N -1.00 -0.14 -0.52 1.13 9.65 0.12 1.22 114.38 124.83 1ug7 h ARG 80 Ca -0.01 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1ug7 h ARG 80 Cb 0.33 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 1ug7 h ARG 80 CO 0.02 -0.09 -0.36 0.77 2.80 0.00 0.00 179.97 183.11 1ug7 h SER 81 N -0.15 -1.29 -0.42 -3.80 0.02 -1.19 0.17 113.55 106.89 1ug7 h SER 81 Ca 0.01 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.24 1ug7 h SER 81 Cb 0.19 0.56 -0.09 0.00 0.14 0.00 0.00 62.40 63.19 1ug7 h SER 81 CO -0.14 -0.17 -0.27 0.00 -1.14 0.00 0.00 176.83 175.11 1ug7 h ALA 82 N -0.19 -0.03 -0.99 3.77 0.00 -1.28 0.42 119.26 120.96 1ug7 h ALA 82 Ca 0.08 0.13 0.36 0.00 0.00 0.00 0.00 54.91 55.48 1ug7 h ALA 82 Cb 0.28 0.60 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 1ug7 h ALA 82 CO -0.52 -0.64 0.52 0.00 0.00 0.00 0.00 179.25 178.60 1ug7 h ALA 83 N 0.97 1.98 0.34 0.00 0.00 0.43 0.94 119.26 123.93 1ug7 h ALA 83 Ca 0.19 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1ug7 h ALA 83 Cb 0.50 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ug7 h ALA 83 CO -0.53 -0.73 -0.17 -0.07 0.00 0.00 0.00 179.25 177.76 1ug7 h LEU 84 N 0.17 -0.39 -0.53 0.00 3.38 0.19 -3.07 115.31 115.06 1ug7 h LEU 84 Ca 0.77 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.69 1ug7 h LEU 84 Cb 1.87 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.67 1ug7 h LEU 84 CO -0.69 -0.11 0.23 1.56 0.09 0.00 0.00 178.44 179.52 1ug7 h GLN 85 N -0.67 0.43 -6.93 1.13 4.20 0.11 -3.42 115.11 109.96 1ug7 h GLN 85 Ca -0.05 -0.03 -0.49 0.00 0.06 0.00 0.00 58.65 58.14 1ug7 h GLN 85 Cb 0.47 -0.10 0.22 0.00 0.30 0.00 0.00 27.48 28.37 1ug7 h GLN 85 CO 0.08 0.29 -0.42 0.43 -0.67 0.00 0.00 178.83 178.54 1ug7 n SER 86 N -4.94 -1.55 0.11 1.46 7.64 0.26 -4.94 113.62 111.67 1ug7 n SER 86 Ca 0.06 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1ug7 n SER 86 Cb 0.18 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1ug7 n SER 86 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ug7 n THR 87 N -4.20 0.00 -0.36 0.44 -1.04 -1.26 -4.93 114.28 102.92 1ug7 n THR 87 Ca 0.06 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.09 1ug7 n THR 87 Cb 0.55 -0.02 0.08 0.00 -1.82 0.00 0.00 70.33 69.12 1ug7 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n GLN 88 N -2.98 -0.17 -3.99 -2.82 6.02 -1.26 -3.42 117.38 108.76 1ug7 n GLN 88 Ca 0.00 1.50 -0.32 0.00 -0.01 0.00 0.00 57.00 58.16 1ug7 n GLN 88 Cb 0.00 -2.22 -0.14 0.00 1.02 0.00 0.00 30.24 28.89 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ug7 s SER 89 N -5.31 4.77 -0.39 1.08 0.15 -1.26 -5.07 113.70 107.67 1ug7 s SER 89 Ca -0.14 -1.90 -0.10 0.00 0.70 0.00 0.00 55.95 54.51 1ug7 s SER 89 Cb 0.22 -1.64 0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1ug7 s SER 89 CO 0.72 -0.35 0.22 0.00 1.20 0.00 0.00 173.24 175.03 1ug7 s GLN 90 N 1.00 2.73 -0.15 5.44 -2.07 -1.22 -4.81 119.66 120.58 1ug7 s GLN 90 Ca 0.05 -1.23 0.06 0.00 -1.82 0.00 0.00 55.36 52.42 1ug7 s GLN 90 Cb -0.20 -3.73 0.19 0.00 -1.09 0.00 0.00 33.01 28.18 1ug7 s GLN 90 CO -0.06 -0.79 0.99 -1.91 -1.32 0.00 0.00 175.29 172.19 1ug7 n GLU 91 N 4.96 0.62 -1.86 9.60 2.13 -1.26 -5.13 120.64 129.69 1ug7 n GLU 91 Ca -0.11 -0.67 -0.04 0.00 0.66 0.00 0.00 57.16 56.99 1ug7 n GLU 91 Cb 0.45 0.30 0.00 0.00 0.27 0.00 0.00 31.44 32.46 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 -0.70 1.34 -1.43 5.31 -0.58 -1.26 -5.06 120.64 118.25 1ug7 n GLU 92 Ca -0.12 -0.58 -0.45 0.00 -0.42 0.00 0.00 57.16 55.60 1ug7 n GLU 92 Cb 0.67 0.06 -0.01 0.00 -0.57 0.00 0.00 31.44 31.59 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ug7 n PHE 93 N -0.74 -0.40 -3.31 -0.32 7.35 -1.26 -4.98 117.46 113.80 1ug7 n PHE 93 Ca -0.00 0.77 -0.01 0.00 -0.76 0.00 0.00 57.45 57.45 1ug7 n PHE 93 Cb 0.11 -2.00 0.00 0.00 0.35 0.00 0.00 39.48 37.94 1ug7 n PHE 93 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ug7 n LYS 94 N 0.90 1.27 -0.00 -4.13 2.85 -1.26 -4.60 118.16 113.19 1ug7 n LYS 94 Ca 0.14 -0.13 -0.06 0.00 -1.05 0.00 0.00 58.31 57.21 1ug7 n LYS 94 Cb 0.32 0.01 -0.05 0.00 -0.65 0.00 0.00 35.03 34.66 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 -0.10 -1.37 -5.58 5.85 -1.98 -2.58 115.31 109.55 1ug7 h LEU 95 Ca -0.01 -0.26 0.26 0.00 0.84 0.00 0.00 57.88 58.71 1ug7 h LEU 95 Cb 0.05 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 1ug7 h LEU 95 CO 0.02 0.50 0.66 1.05 -0.34 0.00 0.00 178.44 180.33 1ug7 h GLU 96 N -1.00 0.39 -0.04 1.25 4.11 -1.97 1.43 114.58 118.76 1ug7 h GLU 96 Ca -0.01 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.27 1ug7 h GLU 96 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ug7 h GLU 96 CO 0.02 0.26 -0.57 -0.44 0.07 0.00 0.00 179.01 178.35 1ug7 h ASP 97 N 0.40 0.13 0.04 3.06 5.19 -1.97 -2.33 116.42 120.95 1ug7 h ASP 97 Ca 0.58 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1ug7 h ASP 97 Cb 1.47 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.94 1ug7 h ASP 97 CO -0.29 0.67 -0.02 0.25 -3.12 0.00 0.00 179.24 176.73 1ug7 h LEU 98 N 0.09 -0.05 -2.17 1.55 5.85 0.20 -3.11 115.31 117.66 1ug7 h LEU 98 Ca -0.00 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1ug7 h LEU 98 Cb 1.03 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1ug7 h LEU 98 CO 0.08 0.68 0.28 0.11 -0.34 0.00 0.00 178.44 179.25 1ug7 h LYS 99 N -0.87 0.00 0.00 1.25 1.57 0.51 1.03 116.57 120.07 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 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 -2.97 0.02 0.00 3.15 5.02 -0.88 -0.54 118.16 121.96 1ug7 n LYS 100 Ca -0.02 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1ug7 n LYS 100 Cb 0.33 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.48 1.72 -0.02 -0.35 4.77 0.36 -3.84 117.00 118.17 1ug7 n LEU 101 Ca 0.03 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.29 1ug7 n LEU 101 Cb 0.14 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1ug7 n LEU 101 CO 0.11 0.32 0.63 -0.08 -1.33 0.00 0.00 177.39 177.04 1ug7 h GLU 102 N 2.10 0.04 0.00 3.23 4.81 -0.91 -1.93 114.58 121.91 1ug7 h GLU 102 Ca 0.00 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1ug7 h GLU 102 Cb 0.68 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1ug7 h GLU 102 CO 0.00 0.52 -0.69 -1.00 -0.73 0.00 0.00 179.01 177.12 1ug7 h PRO 103 N -0.45 0.00 -0.17 0.92 0.13 -1.73 -2.07 132.00 128.63 1ug7 h PRO 103 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1ug7 h PRO 103 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1ug7 h PRO 103 CO 0.00 0.69 0.06 0.82 -0.23 0.00 0.00 178.00 179.34 1ug7 h ILE 104 N 0.00 1.17 -0.08 -3.56 2.04 -1.66 1.60 117.51 117.03 1ug7 h ILE 104 Ca -0.01 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 1ug7 h ILE 104 Cb 1.28 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1ug7 h ILE 104 CO 0.09 0.17 -0.41 -0.07 0.00 0.00 0.00 178.15 177.92 1ug7 h LEU 105 N 0.11 0.18 0.11 1.44 3.38 -1.35 1.03 115.31 120.21 1ug7 h LEU 105 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ug7 h LEU 105 Cb 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ug7 h LEU 105 CO -0.00 0.58 -0.05 0.50 0.09 0.00 0.00 178.44 179.56 1ug7 h LYS 106 N 0.15 -0.14 -0.79 1.13 3.64 -0.91 -3.15 116.57 116.50 1ug7 h LYS 106 Ca 0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ug7 h LYS 106 Cb 0.80 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1ug7 h LYS 106 CO 0.06 0.37 0.01 0.09 -2.27 0.00 0.00 179.45 177.71 1ug7 n ASN 107 N -4.87 3.54 -0.38 4.20 3.02 0.54 -4.44 115.26 116.88 1ug7 n ASN 107 Ca -0.08 -2.51 0.35 0.00 -0.03 0.00 0.00 54.58 52.30 1ug7 n ASN 107 Cb 0.28 -0.60 0.61 0.00 -0.61 0.00 0.00 39.78 39.46 1ug7 n ASN 107 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1ug7 n ILE 108 N 0.31 -0.35 0.03 2.41 2.08 0.36 0.17 119.36 124.37 1ug7 n ILE 108 Ca 0.16 1.90 -0.11 0.00 0.56 0.00 0.00 62.75 65.26 1ug7 n ILE 108 Cb 0.78 -3.11 -0.08 0.00 -0.75 0.00 0.00 39.64 36.48 1ug7 n ILE 108 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1ug7 h LEU 109 N 0.00 -0.14 -4.62 1.39 3.38 -1.82 -3.30 115.31 110.21 1ug7 h LEU 109 Ca 0.85 -0.42 -0.66 0.00 0.09 0.00 0.00 57.88 57.74 1ug7 h LEU 109 Cb 2.45 0.04 -0.24 0.00 0.09 0.00 0.00 40.66 42.99 1ug7 h LEU 109 CO -0.64 0.46 0.83 1.07 0.09 0.00 0.00 178.44 180.26 1ug7 n THR 110 N -4.87 3.48 -4.58 0.22 5.66 0.29 -4.93 114.28 109.55 1ug7 n THR 110 Ca -0.08 -3.58 -0.34 0.00 -3.05 0.00 0.00 64.05 57.01 1ug7 n THR 110 Cb 0.27 -1.32 -0.12 0.00 -1.55 0.00 0.00 70.33 67.61 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 -3.30 2.95 -0.03 1.09 6.14 0.45 -4.86 117.35 119.79 1ug7 s TYR 111 Ca 0.54 -0.14 -0.30 0.00 0.64 0.00 0.00 57.07 57.82 1ug7 s TYR 111 Cb 0.42 -1.79 -0.03 0.00 0.42 0.00 0.00 41.96 40.99 1ug7 s TYR 111 CO -0.28 0.17 1.00 1.21 0.64 0.00 0.00 175.55 178.30 1ug7 s ASN 112 N -0.36 7.32 0.99 4.32 2.47 -1.26 -5.00 114.94 123.42 1ug7 s ASN 112 Ca 0.05 1.64 0.00 0.00 0.42 0.00 0.00 52.86 54.97 1ug7 s ASN 112 Cb -0.12 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1ug7 s ASN 112 CO 0.02 -0.33 0.00 0.29 -3.72 0.00 0.00 177.10 173.37 1ug7 n LYS 113 N 4.25 -1.95 -2.61 0.43 4.76 -1.26 -4.66 118.16 117.11 1ug7 n LYS 113 Ca 0.07 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.49 1ug7 n LYS 113 Cb 0.50 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.70 1ug7 n LYS 113 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ug7 n GLU 114 N -1.97 -1.02 -1.17 1.97 -0.58 -1.26 -4.90 120.64 111.71 1ug7 n GLU 114 Ca 0.00 1.11 -0.37 0.00 -0.42 0.00 0.00 57.16 57.48 1ug7 n GLU 114 Cb 0.00 -4.49 0.00 0.00 -0.57 0.00 0.00 31.44 26.38 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 -1.71 -2.11 0.50 -0.32 7.35 -1.26 -4.81 117.46 115.09 1ug7 n PHE 115 Ca -0.01 0.53 0.13 0.00 -0.76 0.00 0.00 57.45 57.34 1ug7 n PHE 115 Cb 0.51 -1.60 0.45 0.00 0.35 0.00 0.00 39.48 39.19 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 1.26 0.24 -4.37 -7.13 -0.04 -1.26 -4.77 135.00 118.93 1ug7 n PRO 116 Ca 0.09 0.33 -0.24 0.00 -0.04 0.00 0.00 63.50 63.65 1ug7 n PRO 116 Cb 0.38 -1.86 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.22 1.99 -0.97 0.54 0.08 -1.26 -5.07 117.98 110.08 1ug7 s PHE 117 Ca 0.07 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.46 1ug7 s PHE 117 Cb 0.11 -0.99 0.04 0.00 -0.57 0.00 0.00 43.02 41.60 1ug7 s PHE 117 CO 0.50 0.40 1.49 -0.51 -0.10 0.00 0.00 175.22 176.99 1ug7 s ASP 118 N -2.68 6.30 -0.17 1.36 1.01 -1.26 -4.89 116.67 116.34 1ug7 s ASP 118 Ca 0.18 -1.22 -0.04 0.00 0.71 0.00 0.00 52.55 52.18 1ug7 s ASP 118 Cb -0.07 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1ug7 s ASP 118 CO 0.08 -1.69 0.18 0.68 0.21 0.00 0.00 175.17 174.63 1ug7 s VAL 119 N 5.66 -0.26 0.73 -1.27 -7.23 -1.26 -5.04 120.40 111.72 1ug7 s VAL 119 Ca 0.47 -0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.51 1ug7 s VAL 119 Cb -0.02 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.40 1ug7 s VAL 119 CO -0.05 -0.13 1.12 -1.10 -0.31 0.00 0.00 175.10 174.63 1ug7 s GLN 120 N 2.28 2.39 0.39 4.82 -0.21 -1.26 -4.71 119.66 123.35 1ug7 s GLN 120 Ca 0.05 1.38 -0.25 0.00 0.02 0.00 0.00 55.36 56.56 1ug7 s GLN 120 Cb -0.15 -1.90 -0.09 0.00 1.00 0.00 0.00 33.01 31.87 1ug7 s GLN 120 CO -0.10 -1.57 1.06 -1.25 -2.12 0.00 0.00 175.29 171.31 1ug7 s PRO 121 N -4.38 4.20 0.00 2.91 0.04 -1.26 -4.11 135.00 132.41 1ug7 s PRO 121 Ca 0.66 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1ug7 s PRO 121 Cb -0.21 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1ug7 s PRO 121 CO 0.48 -0.11 0.00 -0.89 0.04 0.00 0.00 177.00 176.52 1ug7 n ILE 122 N 0.05 0.00 -1.15 0.56 2.08 -1.26 -4.71 119.36 114.93 1ug7 n ILE 122 Ca 0.04 0.10 -0.36 0.00 0.56 0.00 0.00 62.75 63.10 1ug7 n ILE 122 Cb 0.49 -0.96 0.01 0.00 -0.75 0.00 0.00 39.64 38.43 1ug7 n ILE 122 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1ug7 n SER 123 N 0.00 -3.51 -0.02 4.38 2.88 -1.26 -4.99 113.62 111.10 1ug7 n SER 123 Ca 0.00 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1ug7 n SER 123 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 2.37 1.89 3.62 0.46 0.00 -1.26 -5.01 105.19 107.27 1ug7 n GLY 124 Ca 0.07 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 4.52 3.83 1.03 1.61 0.04 -1.26 -5.01 135.00 139.77 1ug7 s PRO 125 Ca 0.00 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1ug7 s PRO 125 Cb 0.00 -3.93 0.20 0.00 0.04 0.00 0.00 34.50 30.82 1ug7 s PRO 125 CO 0.00 -1.23 1.10 -1.12 0.04 0.00 0.00 177.00 175.79 1ug7 s SER 126 N 3.17 2.37 -0.28 6.66 0.01 -1.26 -5.07 113.70 119.31 1ug7 s SER 126 Ca 0.59 1.05 -0.16 0.00 1.31 0.00 0.00 55.95 58.73 1ug7 s SER 126 Cb -0.17 -1.63 0.08 0.00 0.21 0.00 0.00 66.02 64.51 1ug7 s SER 126 CO 0.26 -3.27 0.68 -0.55 0.41 0.00 0.00 173.24 170.77 1ug7 s SER 127 N -3.60 -0.93 0.00 2.44 0.15 -1.26 -5.03 113.70 105.47 1ug7 s SER 127 Ca 0.66 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.81 1ug7 s SER 127 Cb -0.17 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1ug7 s SER 127 CO 0.57 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.38