#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 7.18 0.20 1.61 0.01 -1.26 -4.67 113.70 116.78 1ug7 s SER 2 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1ug7 s SER 2 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1ug7 s SER 2 CO 0.00 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.12 1ug7 n SER 3 N 4.34 -1.83 0.00 2.44 2.88 -1.26 -5.14 113.62 115.05 1ug7 n SER 3 Ca 0.05 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1ug7 n SER 3 Cb 0.50 1.98 0.00 0.00 -0.75 0.00 0.00 64.21 65.94 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 -1.22 2.34 3.64 0.46 0.00 -1.26 -5.17 105.19 103.98 1ug7 n GLY 4 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1ug7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug7 s SER 5 N 1.53 -0.48 0.49 1.61 0.15 -1.26 -5.14 113.70 110.61 1ug7 s SER 5 Ca 0.00 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1ug7 s SER 5 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1ug7 s SER 5 CO 0.00 -0.13 0.00 -1.20 1.20 0.00 0.00 173.24 173.11 1ug7 n SER 6 N 3.44 -7.53 0.00 5.45 7.64 -1.26 -5.08 113.62 116.28 1ug7 n SER 6 Ca -0.18 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1ug7 n SER 6 Cb 0.57 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 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 -1.77 2.06 0.21 0.23 0.00 -1.26 -5.02 105.19 99.65 1ug7 n GLY 7 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ug7 h MET 8 N 0.00 0.42 -2.73 1.61 0.00 -1.98 -3.46 114.93 108.79 1ug7 h MET 8 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 59.70 59.38 1ug7 h MET 8 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 31.60 31.52 1ug7 h MET 8 CO 0.00 0.28 -0.41 0.43 0.00 0.00 0.00 176.91 177.20 1ug7 n SER 9 N -4.95 -4.72 0.00 1.22 7.64 -1.26 -2.00 113.62 109.55 1ug7 n SER 9 Ca 0.06 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1ug7 n SER 9 Cb 0.19 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 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 -2.77 0.00 -0.33 1.43 2.13 -1.26 -4.43 120.64 115.40 1ug7 n GLU 10 Ca -0.13 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.60 1ug7 n GLU 10 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.24 1ug7 n GLU 10 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ug7 n VAL 11 N 0.00 -0.54 0.04 6.31 0.24 -1.24 0.17 118.33 123.31 1ug7 n VAL 11 Ca 0.00 2.06 -0.13 0.00 -2.04 0.00 0.00 64.34 64.23 1ug7 n VAL 11 Cb 0.00 -2.56 -0.08 0.00 -1.47 0.00 0.00 33.84 29.73 1ug7 n VAL 11 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1ug7 h THR 12 N 0.00 1.06 -0.92 3.34 2.02 -1.61 -2.72 112.91 114.07 1ug7 h THR 12 Ca 0.13 -0.34 0.24 0.00 0.77 0.00 0.00 66.41 67.22 1ug7 h THR 12 Cb 0.32 1.29 -0.13 0.00 -1.74 0.00 0.00 68.15 67.89 1ug7 h THR 12 CO -0.74 0.09 0.42 -0.09 0.37 0.00 0.00 175.52 175.56 1ug7 h ARG 13 N -0.20 0.36 -0.94 6.66 2.43 -0.79 0.90 114.38 122.79 1ug7 h ARG 13 Ca -0.01 -0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.34 1ug7 h ARG 13 Cb 0.18 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 1ug7 h ARG 13 CO 0.01 0.24 0.60 1.03 -1.51 0.00 0.00 179.97 180.34 1ug7 h SER 14 N 0.37 0.55 0.25 -3.80 0.87 0.20 0.04 113.55 112.03 1ug7 h SER 14 Ca 0.60 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.21 1ug7 h SER 14 Cb 1.20 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ug7 h SER 14 CO -0.56 0.22 -0.12 0.25 -0.53 0.00 0.00 176.83 176.09 1ug7 h LEU 15 N 0.55 -0.28 -1.68 2.23 5.85 0.81 0.36 115.31 123.15 1ug7 h LEU 15 Ca 0.50 0.01 0.41 0.00 0.84 0.00 0.00 57.88 59.64 1ug7 h LEU 15 Cb 1.05 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1ug7 h LEU 15 CO -0.24 -0.13 1.20 -0.07 -0.34 0.00 0.00 178.44 178.86 1ug7 h LEU 16 N -0.48 0.00 0.00 2.25 3.38 -1.06 0.55 115.31 119.96 1ug7 h LEU 16 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ug7 h LEU 16 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ug7 h LEU 16 CO 0.06 0.00 -0.00 1.56 0.09 0.00 0.00 178.44 180.14 1ug7 h GLN 17 N 0.00 0.00 -1.29 1.13 1.08 -0.79 -2.77 115.11 112.47 1ug7 h GLN 17 Ca 0.68 0.00 0.39 0.00 -1.45 0.00 0.00 58.65 58.27 1ug7 h GLN 17 Cb 3.07 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 30.39 1ug7 h GLN 17 CO -0.01 0.00 0.85 0.07 -0.95 0.00 0.00 178.83 178.80 1ug7 h ARG 18 N -0.16 0.14 0.69 1.46 -0.00 0.15 0.82 114.38 117.49 1ug7 h ARG 18 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.98 59.94 1ug7 h ARG 18 Cb 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 29.97 29.95 1ug7 h ARG 18 CO 0.00 0.10 -0.33 -1.49 -0.00 0.00 0.00 179.97 178.24 1ug7 h TRP 19 N 0.15 -0.86 -0.74 4.08 6.55 -0.10 -2.14 115.95 122.88 1ug7 h TRP 19 Ca 0.74 -0.02 0.11 0.00 0.95 0.00 0.00 58.89 60.67 1ug7 h TRP 19 Cb 2.36 0.29 -0.05 0.00 -0.86 0.00 0.00 29.16 30.89 1ug7 h TRP 19 CO -0.00 -0.54 0.49 0.78 -1.05 0.00 0.00 178.44 178.12 1ug7 h GLY 20 N -1.15 0.86 1.28 1.49 0.00 -0.19 0.15 103.07 105.51 1ug7 h GLY 20 Ca -0.10 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.03 1ug7 h GLY 20 CO 0.16 0.12 0.41 0.00 0.00 0.00 0.00 176.54 177.23 1ug7 h ALA 21 N 1.64 1.66 0.51 3.60 0.00 0.60 0.20 119.26 127.46 1ug7 h ALA 21 Ca 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1ug7 h ALA 21 Cb 0.58 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ug7 h ALA 21 CO -0.12 0.28 -0.25 0.77 0.00 0.00 0.00 179.25 179.93 1ug7 h SER 22 N 0.74 -0.58 -0.11 0.00 0.02 -0.02 -1.66 113.55 111.94 1ug7 h SER 22 Ca 0.25 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1ug7 h SER 22 Cb 0.07 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1ug7 h SER 22 CO -0.07 -0.29 -0.48 0.25 -1.14 0.00 0.00 176.83 175.11 1ug7 h LEU 23 N -0.94 -1.51 -0.64 5.07 5.85 -1.26 0.24 115.31 122.12 1ug7 h LEU 23 Ca -0.07 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1ug7 h LEU 23 Cb 0.53 0.60 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 1ug7 h LEU 23 CO 0.12 -0.46 -0.52 0.03 -0.34 0.00 0.00 178.44 177.26 1ug7 h ARG 24 N -0.55 -0.17 -0.79 1.25 -0.00 -0.69 0.91 114.38 114.33 1ug7 h ARG 24 Ca 0.05 0.01 0.17 0.00 -0.50 0.00 0.00 59.98 59.72 1ug7 h ARG 24 Cb 0.66 0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.62 1ug7 h ARG 24 CO -0.41 -0.11 0.53 -0.09 0.00 0.00 0.00 179.97 179.89 1ug7 h ARG 25 N -0.18 0.36 -0.05 0.04 2.43 -0.64 0.41 114.38 116.75 1ug7 h ARG 25 Ca 0.11 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1ug7 h ARG 25 Cb 0.46 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1ug7 h ARG 25 CO -0.70 0.24 -0.20 0.78 -1.51 0.00 0.00 179.97 178.58 1ug7 h GLY 26 N 0.37 0.08 2.00 2.80 0.00 0.42 -1.56 103.07 107.19 1ug7 h GLY 26 Ca 0.40 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.53 1ug7 h GLY 26 CO -0.12 0.05 -0.70 0.00 0.00 0.00 0.00 176.54 175.76 1ug7 h ALA 27 N 1.73 0.68 -0.08 3.60 0.00 0.18 -2.86 119.26 122.51 1ug7 h ALA 27 Ca 0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1ug7 h ALA 27 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ug7 h ALA 27 CO 0.03 0.88 0.04 -0.44 0.00 0.00 0.00 179.25 179.76 1ug7 h ASP 28 N 0.00 0.10 0.22 0.00 5.19 -0.58 -1.78 116.42 119.58 1ug7 h ASP 28 Ca -0.01 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1ug7 h ASP 28 Cb 1.38 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1ug7 h ASP 28 CO 0.09 0.16 -0.11 -0.26 -3.12 0.00 0.00 179.24 176.01 1ug7 h PHE 29 N 0.03 -0.28 -0.38 4.55 0.04 -1.50 -2.63 116.94 116.77 1ug7 h PHE 29 Ca 0.03 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.84 1ug7 h PHE 29 Cb 0.08 0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.26 1ug7 h PHE 29 CO -0.04 -0.12 -0.47 0.22 -0.60 0.00 0.00 178.31 177.30 1ug7 h ASP 30 N -0.37 -1.58 0.00 2.17 3.58 -1.41 1.41 116.42 120.21 1ug7 h ASP 30 Ca -0.03 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1ug7 h ASP 30 Cb 0.28 0.65 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1ug7 h ASP 30 CO 0.05 -0.32 0.00 -1.20 -2.88 0.00 0.00 179.24 174.89 1ug7 n SER 31 N -4.92 0.00 0.00 2.28 7.64 -0.68 -2.72 113.62 115.23 1ug7 n SER 31 Ca -0.03 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1ug7 n SER 31 Cb 0.28 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.42 0.00 0.00 1.43 8.01 -0.99 -4.88 117.44 118.58 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 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 28.93 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 -0.94 0.00 2.68 6.99 0.00 0.42 -5.06 105.19 109.28 1ug7 n GLY 33 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.04 -0.31 1.61 6.02 0.20 -4.81 117.38 123.14 1ug7 n GLN 34 Ca 0.00 -3.91 0.00 0.00 -0.01 0.00 0.00 57.00 53.08 1ug7 n GLN 34 Cb 0.00 -2.26 0.07 0.00 1.02 0.00 0.00 30.24 29.06 1ug7 n GLN 34 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1ug7 h LEU 35 N 2.75 -1.08 0.00 1.08 3.38 -1.88 0.42 115.31 119.98 1ug7 h LEU 35 Ca 0.46 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.70 1ug7 h LEU 35 Cb 0.47 0.62 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ug7 h LEU 35 CO 1.19 -0.29 0.00 0.55 0.09 0.00 0.00 178.44 179.98 1ug7 n VAL 36 N -5.51 0.00 -0.34 1.22 3.14 -1.26 0.14 118.33 115.72 1ug7 n VAL 36 Ca 0.10 1.35 0.12 0.00 -2.96 0.00 0.00 64.34 62.96 1ug7 n VAL 36 Cb 0.41 -1.87 0.30 0.00 -1.06 0.00 0.00 33.84 31.62 1ug7 n VAL 36 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ug7 h GLU 37 N 0.00 0.69 -0.01 1.45 5.08 -1.68 -0.22 114.58 119.90 1ug7 h GLU 37 Ca 0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ug7 h GLU 37 Cb 0.00 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1ug7 h GLU 37 CO 0.00 0.46 -0.29 0.00 -1.00 0.00 0.00 179.01 178.17 1ug7 h ALA 38 N 1.64 -0.41 -0.46 3.43 0.00 0.32 0.57 119.26 124.35 1ug7 h ALA 38 Ca 0.56 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.53 1ug7 h ALA 38 Cb 0.87 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1ug7 h ALA 38 CO -0.39 -0.80 0.12 0.82 0.00 0.00 0.00 179.25 179.00 1ug7 h ILE 39 N -0.44 0.78 0.24 0.00 2.04 0.29 0.56 117.51 120.98 1ug7 h ILE 39 Ca 0.06 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ug7 h ILE 39 Cb 0.53 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1ug7 h ILE 39 CO -0.25 0.05 -0.34 -0.78 0.00 0.00 0.00 178.15 176.82 1ug7 h ASP 40 N 0.27 -0.96 -0.00 1.72 3.58 -0.15 0.22 116.42 121.10 1ug7 h ASP 40 Ca 0.23 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.78 1ug7 h ASP 40 Cb 0.27 0.34 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1ug7 h ASP 40 CO -0.27 -0.45 -0.17 -0.08 -2.88 0.00 0.00 179.24 175.39 1ug7 h GLU 41 N -0.64 -0.20 -0.24 0.28 4.57 0.77 0.20 114.58 119.32 1ug7 h GLU 41 Ca 0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1ug7 h GLU 41 Cb 0.62 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1ug7 h GLU 41 CO -0.13 -0.13 -0.29 1.88 -1.18 0.00 0.00 179.01 179.16 1ug7 h TYR 42 N -0.21 -0.89 -0.48 0.92 0.05 -0.82 0.30 116.97 115.84 1ug7 h TYR 42 Ca 0.00 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.87 1ug7 h TYR 42 Cb 0.22 0.42 -0.06 0.00 1.01 0.00 0.00 36.73 38.32 1ug7 h TYR 42 CO -0.42 -0.25 -0.34 1.96 -1.05 0.00 0.00 178.16 178.07 1ug7 h GLN 43 N -0.18 -0.07 -0.67 4.88 4.20 -0.41 0.95 115.11 123.81 1ug7 h GLN 43 Ca 0.04 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.82 1ug7 h GLN 43 Cb 0.30 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 1ug7 h GLN 43 CO -0.33 -0.04 -0.45 0.82 -0.67 0.00 0.00 178.83 178.16 1ug7 h ILE 44 N -0.07 0.00 -1.00 2.54 5.03 -0.08 1.30 117.51 125.23 1ug7 h ILE 44 Ca 0.08 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 65.02 1ug7 h ILE 44 Cb 0.27 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.96 1ug7 h ILE 44 CO -0.49 0.00 0.61 0.25 -0.68 0.00 0.00 178.15 177.85 1ug7 h LEU 45 N -0.07 0.72 -0.16 1.44 5.85 0.58 0.21 115.31 123.88 1ug7 h LEU 45 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ug7 h LEU 45 Cb 0.35 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ug7 h LEU 45 CO -0.66 0.25 0.06 0.00 -0.34 0.00 0.00 178.44 177.74 1ug7 h ALA 46 N 1.64 0.18 -0.36 1.25 0.00 0.91 0.66 119.26 123.53 1ug7 h ALA 46 Ca 0.57 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.52 1ug7 h ALA 46 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1ug7 h ALA 46 CO -0.35 -0.38 0.19 0.00 0.00 0.00 0.00 179.25 178.71 1ug7 h ARG 47 N 0.14 0.38 0.13 0.00 3.08 0.30 -2.68 114.38 115.72 1ug7 h ARG 47 Ca 0.07 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1ug7 h ARG 47 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1ug7 h ARG 47 CO -0.07 0.25 -0.27 0.45 -1.07 0.00 0.00 179.97 179.26 1ug7 h HIS 48 N 0.39 -0.72 -0.99 3.04 3.86 -0.54 -0.86 115.15 119.32 1ug7 h HIS 48 Ca 0.15 0.01 0.36 0.00 -1.16 0.00 0.00 60.37 59.74 1ug7 h HIS 48 Cb 0.04 0.30 -0.18 0.00 1.06 0.00 0.00 27.41 28.64 1ug7 h HIS 48 CO -0.09 -0.37 0.38 -0.07 0.86 0.00 0.00 177.93 178.63 1ug7 h LEU 49 N -0.48 0.08 0.11 2.43 3.38 -0.56 0.94 115.31 121.21 1ug7 h LEU 49 Ca 0.03 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1ug7 h LEU 49 Cb 0.51 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ug7 h LEU 49 CO -0.15 -0.38 -0.05 1.56 0.09 0.00 0.00 178.44 179.50 1ug7 h GLN 50 N 0.03 -0.14 -1.78 1.13 4.20 -0.91 0.49 115.11 118.12 1ug7 h GLN 50 Ca 0.76 0.01 0.53 0.00 0.06 0.00 0.00 58.65 60.01 1ug7 h GLN 50 Cb 1.86 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 29.58 1ug7 h GLN 50 CO -0.80 0.04 1.26 -0.22 -0.67 0.00 0.00 178.83 178.44 1ug7 h LYS 51 N -0.31 0.01 0.02 1.46 1.63 0.16 1.89 116.57 121.43 1ug7 h LYS 51 Ca -0.02 -0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.43 1ug7 h LYS 51 Cb 0.25 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.82 1ug7 h LYS 51 CO 0.02 0.01 -2.19 0.39 -3.45 0.00 0.00 179.45 174.23 1ug7 n GLU 52 N -4.14 0.68 0.26 1.90 -0.58 -0.84 -4.11 120.64 113.81 1ug7 n GLU 52 Ca 0.42 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 57.19 1ug7 n GLU 52 Cb 1.85 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 31.05 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 0.56 -0.71 -0.16 0.62 0.00 0.71 -3.21 119.26 117.08 1ug7 h ALA 53 Ca -0.48 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 53.98 1ug7 h ALA 53 Cb 2.06 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 20.03 1ug7 h ALA 53 CO 0.02 -0.69 -0.14 0.00 0.00 0.00 0.00 179.25 178.45 1ug7 n GLN 54 N -5.26 2.07 -0.04 0.00 10.64 0.52 -4.20 117.38 121.12 1ug7 n GLN 54 Ca -0.10 -1.36 -0.04 0.00 -1.83 0.00 0.00 57.00 53.67 1ug7 n GLN 54 Cb 0.30 -2.00 -0.01 0.00 -0.86 0.00 0.00 30.24 27.67 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 1.96 0.47 -0.94 2.61 0.00 -1.21 -4.86 120.51 118.54 1ug7 n ALA 55 Ca 0.43 -0.53 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1ug7 n ALA 55 Cb 0.79 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ug7 n GLN 56 N -3.46 -2.07 -1.50 0.00 0.00 -1.26 -4.56 117.38 104.53 1ug7 n GLN 56 Ca -0.07 1.59 -0.41 0.00 -0.00 0.00 0.00 57.00 58.10 1ug7 n GLN 56 Cb 0.25 -2.46 -0.15 0.00 0.00 0.00 0.00 30.24 27.89 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1ug7 n HIS 57 N -3.64 0.58 0.00 3.69 8.25 -1.26 -3.17 115.22 119.67 1ug7 n HIS 57 Ca -0.03 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1ug7 n HIS 57 Cb 0.44 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.17 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 10.48 0.00 -3.15 0.41 5.15 -1.26 -5.08 115.26 121.80 1ug7 n ASN 58 Ca 0.66 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.68 1ug7 n ASN 58 Cb 0.03 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1ug7 s ASN 59 N 0.00 -1.13 -0.10 1.20 0.01 -1.19 -5.16 114.94 108.58 1ug7 s ASN 59 Ca 0.00 0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 51.99 1ug7 s ASN 59 Cb 0.00 1.72 0.11 0.00 0.41 0.00 0.00 41.25 43.49 1ug7 s ASN 59 CO 0.00 -0.21 0.92 -0.44 -1.51 0.00 0.00 177.10 175.86 1ug7 s SER 60 N 2.88 -0.41 -0.06 -1.22 0.01 -1.26 -4.74 113.70 108.90 1ug7 s SER 60 Ca 0.17 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.78 1ug7 s SER 60 Cb -0.07 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1ug7 s SER 60 CO -0.25 -0.47 -0.02 -0.62 0.41 0.00 0.00 173.24 172.30 1ug7 n GLU 61 N 0.45 1.78 -1.73 12.44 4.71 -1.26 -4.06 120.64 132.98 1ug7 n GLU 61 Ca -0.11 0.02 -0.29 0.00 -0.01 0.00 0.00 57.16 56.76 1ug7 n GLU 61 Cb 0.59 -1.13 0.09 0.00 -1.01 0.00 0.00 31.44 29.98 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1ug7 s PHE 62 N -2.13 2.92 0.60 -0.32 0.40 -1.26 -4.84 117.98 113.36 1ug7 s PHE 62 Ca -0.05 0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 57.17 1ug7 s PHE 62 Cb 0.02 -3.27 0.01 0.00 0.51 0.00 0.00 43.02 40.30 1ug7 s PHE 62 CO 0.18 -1.75 0.91 -0.08 0.70 0.00 0.00 175.22 175.19 1ug7 s THR 63 N -3.35 3.50 0.28 0.64 -1.32 -1.26 -4.83 115.64 109.30 1ug7 s THR 63 Ca 0.61 -0.03 0.01 0.00 -1.21 0.00 0.00 61.69 61.08 1ug7 s THR 63 Cb -0.13 -3.40 0.29 0.00 -1.51 0.00 0.00 72.50 67.75 1ug7 s THR 63 CO 0.52 -0.42 1.67 -0.33 -2.21 0.00 0.00 174.62 173.86 1ug7 h GLU 64 N -0.22 0.28 0.33 7.08 3.07 -1.99 -1.09 114.58 122.05 1ug7 h GLU 64 Ca -0.45 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.38 1ug7 h GLU 64 Cb 1.26 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ug7 h GLU 64 CO 0.61 0.19 -0.17 0.93 -1.40 0.00 0.00 179.01 179.16 1ug7 h GLU 65 N 0.29 -0.44 -0.66 2.33 5.08 -1.98 0.17 114.58 119.37 1ug7 h GLU 65 Ca 0.52 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.97 1ug7 h GLU 65 Cb 1.00 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 1ug7 h GLU 65 CO -0.58 -0.29 -0.39 1.04 -1.00 0.00 0.00 179.01 177.79 1ug7 n GLN 66 N -3.30 -0.29 -0.34 2.33 3.00 -0.80 0.18 117.38 118.16 1ug7 n GLN 66 Ca -0.06 1.25 0.11 0.00 -0.01 0.00 0.00 57.00 58.29 1ug7 n GLN 66 Cb 0.18 -1.84 0.28 0.00 0.00 0.00 0.00 30.24 28.86 1ug7 n GLN 66 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1ug7 h LYS 67 N 0.00 0.74 -0.77 -1.09 2.10 -1.23 0.78 116.57 117.10 1ug7 h LYS 67 Ca 0.11 -0.04 0.17 0.00 -2.00 0.00 0.00 60.65 58.88 1ug7 h LYS 67 Cb 0.27 -0.17 -0.14 0.00 -0.90 0.00 0.00 32.23 31.29 1ug7 h LYS 67 CO -0.62 0.49 -0.10 -0.22 -2.00 0.00 0.00 179.45 177.00 1ug7 h LYS 68 N 0.76 0.04 -0.15 0.07 3.64 0.50 0.15 116.57 121.58 1ug7 h LYS 68 Ca 0.54 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.87 1ug7 h LYS 68 Cb 0.77 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1ug7 h LYS 68 CO -0.36 0.03 -0.09 1.15 -2.27 0.00 0.00 179.45 177.90 1ug7 h THR 69 N 0.04 1.32 -0.97 1.00 2.02 -0.05 -2.30 112.91 113.99 1ug7 h THR 69 Ca 0.40 -1.17 0.19 0.00 0.77 0.00 0.00 66.41 66.59 1ug7 h THR 69 Cb 0.67 1.78 -0.18 0.00 -1.74 0.00 0.00 68.15 68.68 1ug7 h THR 69 CO -0.74 0.34 -0.26 -0.38 0.37 0.00 0.00 175.52 174.85 1ug7 n ILE 70 N -4.62 -0.42 -0.01 3.11 5.41 0.40 0.66 119.36 123.89 1ug7 n ILE 70 Ca -0.06 2.22 -0.13 0.00 1.00 0.00 0.00 62.75 65.78 1ug7 n ILE 70 Cb 0.32 -3.05 -0.09 0.00 -0.71 0.00 0.00 39.64 36.11 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 0.06 -0.07 7.39 0.00 -1.19 -2.84 103.07 106.42 1ug7 h GLY 71 Ca 0.44 -0.06 0.27 0.00 0.00 0.00 0.00 47.33 47.99 1ug7 h GLY 71 CO -0.99 0.05 0.69 0.50 0.00 0.00 0.00 176.54 176.79 1ug7 h LYS 72 N -0.34 0.28 0.41 4.80 1.57 0.37 0.15 116.57 123.82 1ug7 h LYS 72 Ca 0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ug7 h LYS 72 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ug7 h LYS 72 CO 0.00 0.19 -0.20 0.82 -0.57 0.00 0.00 179.45 179.69 1ug7 h ILE 73 N 0.29 0.58 -0.69 1.86 2.04 0.45 -2.80 117.51 119.24 1ug7 h ILE 73 Ca 0.55 -0.31 0.14 0.00 1.00 0.00 0.00 64.86 66.25 1ug7 h ILE 73 Cb 1.60 0.73 -0.13 0.00 -0.74 0.00 0.00 36.82 38.28 1ug7 h ILE 73 CO -0.20 0.06 -0.12 0.00 0.00 0.00 0.00 178.15 177.88 1ug7 h ALA 74 N -0.22 0.53 -0.55 1.87 0.00 -0.54 0.94 119.26 121.29 1ug7 h ALA 74 Ca -0.06 0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1ug7 h ALA 74 Cb 0.51 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1ug7 h ALA 74 CO 0.09 -0.42 -0.34 1.15 0.00 0.00 0.00 179.25 179.73 1ug7 h THR 75 N 0.03 0.17 -0.27 0.00 2.02 -1.14 0.15 112.91 113.88 1ug7 h THR 75 Ca 0.34 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.59 1ug7 h THR 75 Cb 0.55 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 1ug7 h THR 75 CO -0.68 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.02 1ug7 h LEU 77 N -0.17 -1.72 -1.73 0.00 3.38 0.26 0.98 115.31 116.31 1ug7 h LEU 77 Ca 0.15 0.23 0.52 0.00 0.09 0.00 0.00 57.88 58.87 1ug7 h LEU 77 Cb 0.39 0.72 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 1ug7 h LEU 77 CO -0.37 -0.33 1.17 -0.33 0.09 0.00 0.00 178.44 178.67 1ug7 h GLU 78 N -0.28 0.01 0.18 1.13 5.08 -0.26 0.70 114.58 121.14 1ug7 h GLU 78 Ca 0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ug7 h GLU 78 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ug7 h GLU 78 CO -0.59 0.01 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.27 1ug7 h LEU 79 N 0.01 -0.21 0.01 1.33 3.38 0.12 -2.81 115.31 117.14 1ug7 h LEU 79 Ca 0.90 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.65 1ug7 h LEU 79 Cb 3.30 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 44.09 1ug7 h LEU 79 CO -0.21 0.34 -0.17 -0.09 0.09 0.00 0.00 178.44 178.41 1ug7 h ARG 80 N -0.98 -0.21 -0.98 1.13 9.65 0.21 1.43 114.38 124.63 1ug7 h ARG 80 Ca -0.02 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1ug7 h ARG 80 Cb 0.42 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 28.92 1ug7 h ARG 80 CO 0.04 -0.14 -0.55 0.77 2.80 0.00 0.00 179.97 182.89 1ug7 h SER 81 N -0.22 -2.03 -0.05 -3.80 0.02 -1.01 0.33 113.55 106.79 1ug7 h SER 81 Ca 0.00 0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1ug7 h SER 81 Cb 0.23 0.92 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1ug7 h SER 81 CO -0.11 -0.25 -0.17 0.00 -1.14 0.00 0.00 176.83 175.17 1ug7 h ALA 82 N 0.63 -0.17 -1.46 3.77 0.00 -1.19 0.46 119.26 121.31 1ug7 h ALA 82 Ca 0.19 0.02 0.48 0.00 0.00 0.00 0.00 54.91 55.60 1ug7 h ALA 82 Cb 0.45 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 1ug7 h ALA 82 CO -0.94 -0.65 0.96 0.00 0.00 0.00 0.00 179.25 178.62 1ug7 h ALA 83 N 0.71 2.97 0.04 0.00 0.00 0.58 1.53 119.26 125.09 1ug7 h ALA 83 Ca 0.07 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ug7 h ALA 83 Cb 0.35 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ug7 h ALA 83 CO -0.20 -1.63 -0.02 -0.07 0.00 0.00 0.00 179.25 177.33 1ug7 h LEU 84 N 0.03 -0.04 0.29 0.00 3.38 0.73 -3.32 115.31 116.37 1ug7 h LEU 84 Ca 0.87 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1ug7 h LEU 84 Cb 2.91 0.01 0.00 0.00 0.09 0.00 0.00 40.66 43.67 1ug7 h LEU 84 CO -0.38 0.59 -0.15 1.56 0.09 0.00 0.00 178.44 180.15 1ug7 h GLN 85 N -0.71 -0.40 -6.71 1.13 4.20 0.24 -3.41 115.11 109.44 1ug7 h GLN 85 Ca -0.01 0.03 -0.53 0.00 0.06 0.00 0.00 58.65 58.21 1ug7 h GLN 85 Cb 0.62 0.09 0.05 0.00 0.30 0.00 0.00 27.48 28.54 1ug7 h GLN 85 CO 0.01 -0.26 0.75 -1.12 -0.67 0.00 0.00 178.83 177.54 1ug7 s SER 86 N -4.83 6.69 -0.17 1.46 0.01 0.35 -5.00 113.70 112.21 1ug7 s SER 86 Ca -0.15 2.60 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 1ug7 s SER 86 Cb 0.05 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.74 1ug7 s SER 86 CO 0.64 -0.68 0.19 -0.89 0.41 0.00 0.00 173.24 172.91 1ug7 s THR 87 N 0.17 -0.28 0.00 1.44 2.01 -1.26 -4.76 115.64 112.96 1ug7 s THR 87 Ca 0.60 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1ug7 s THR 87 Cb -0.41 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1ug7 s THR 87 CO 0.41 -0.13 0.00 1.67 -0.69 0.00 0.00 174.62 175.87 1ug7 n GLN 88 N 5.32 0.00 -2.79 4.92 7.27 -1.26 -5.05 117.38 125.78 1ug7 n GLN 88 Ca -0.06 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.96 1ug7 n GLN 88 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 1ug7 n GLN 88 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1ug7 s SER 89 N -1.16 -1.32 -0.90 1.69 1.04 -1.26 -5.08 113.70 106.71 1ug7 s SER 89 Ca 0.00 -1.79 -0.20 0.00 0.48 0.00 0.00 55.95 54.44 1ug7 s SER 89 Cb 0.00 1.80 -0.24 0.00 0.10 0.00 0.00 66.02 67.68 1ug7 s SER 89 CO 0.00 -0.06 2.36 0.00 0.98 0.00 0.00 173.24 176.53 1ug7 n GLN 90 N 2.95 0.24 0.00 4.02 6.02 -1.26 -4.48 117.38 124.87 1ug7 n GLN 90 Ca 0.18 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ug7 n GLN 90 Cb 0.56 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1ug7 n GLN 90 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ug7 n GLU 91 N 7.30 0.56 0.00 -1.09 2.13 -1.26 -5.07 120.64 123.21 1ug7 n GLU 91 Ca 0.59 -0.68 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1ug7 n GLU 91 Cb 0.22 -0.60 0.00 0.00 0.27 0.00 0.00 31.44 31.34 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 -0.09 3.64 -2.49 5.31 -0.58 -1.26 -5.06 120.64 120.11 1ug7 n GLU 92 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1ug7 n GLU 92 Cb 0.45 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.28 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 2.45 3.20 0.01 -0.32 5.36 -1.26 -5.06 117.98 122.36 1ug7 s PHE 93 Ca 0.00 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 1ug7 s PHE 93 Cb 0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1ug7 s PHE 93 CO 0.00 -0.80 0.01 0.36 -1.46 0.00 0.00 175.22 173.33 1ug7 n LYS 94 N -0.11 1.34 -0.05 10.12 2.85 -1.26 -4.66 118.16 126.39 1ug7 n LYS 94 Ca 0.05 -0.05 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1ug7 n LYS 94 Cb 0.49 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.80 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 -0.02 -0.80 -5.58 5.85 -1.98 -2.83 115.31 109.94 1ug7 h LEU 95 Ca -0.01 -0.55 0.17 0.00 0.84 0.00 0.00 57.88 58.34 1ug7 h LEU 95 Cb 0.02 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 1ug7 h LEU 95 CO 0.01 0.74 0.31 1.05 -0.34 0.00 0.00 178.44 180.20 1ug7 h GLU 96 N -0.98 0.39 0.00 1.25 4.11 -1.97 1.25 114.58 118.62 1ug7 h GLU 96 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 1ug7 h GLU 96 Cb 0.57 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ug7 h GLU 96 CO 0.00 0.26 -0.19 -0.44 0.07 0.00 0.00 179.01 178.71 1ug7 h ASP 97 N 0.40 0.00 0.05 3.06 3.32 -1.97 -1.36 116.42 119.91 1ug7 h ASP 97 Ca 0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.41 1ug7 h ASP 97 Cb 0.79 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.35 1ug7 h ASP 97 CO -0.47 0.19 -0.43 0.25 -1.72 0.00 0.00 179.24 177.06 1ug7 h LEU 98 N 0.00 0.30 -0.73 1.55 5.85 0.15 -3.11 115.31 119.31 1ug7 h LEU 98 Ca -0.00 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1ug7 h LEU 98 Cb 0.46 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ug7 h LEU 98 CO 0.02 1.15 0.00 0.29 -0.34 0.00 0.00 178.44 179.56 1ug7 n LYS 99 N -4.36 0.11 0.00 1.25 4.01 0.22 -0.83 118.16 118.55 1ug7 n LYS 99 Ca -0.11 0.49 0.08 0.00 -0.51 0.00 0.00 58.31 58.26 1ug7 n LYS 99 Cb 0.63 -1.78 0.37 0.00 -0.51 0.00 0.00 35.03 33.74 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 -1.99 0.14 0.00 1.97 5.02 -0.54 -1.00 118.16 121.75 1ug7 n LYS 100 Ca 0.01 0.18 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 1ug7 n LYS 100 Cb 0.10 -1.50 -0.05 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 -1.37 1.41 0.04 -0.35 4.77 -0.01 -4.08 117.00 117.41 1ug7 n LEU 101 Ca 0.06 -0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 55.27 1ug7 n LEU 101 Cb 0.15 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1ug7 n LEU 101 CO 0.13 0.29 0.79 -0.08 -1.33 0.00 0.00 177.39 177.19 1ug7 h GLU 102 N 1.19 -0.03 -0.03 3.23 4.81 -1.18 -0.89 114.58 121.68 1ug7 h GLU 102 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1ug7 h GLU 102 Cb 0.56 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ug7 h GLU 102 CO 0.00 0.13 -0.86 -1.00 -0.73 0.00 0.00 179.01 176.55 1ug7 h PRO 103 N -0.19 0.41 -0.64 0.92 0.13 -1.77 -2.05 132.00 128.82 1ug7 h PRO 103 Ca -0.00 -0.40 0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1ug7 h PRO 103 Cb 0.18 0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.36 1ug7 h PRO 103 CO 0.01 1.06 0.36 0.82 -0.23 0.00 0.00 178.00 180.01 1ug7 h ILE 104 N 0.25 0.98 -0.14 -3.56 2.04 -1.69 1.55 117.51 116.95 1ug7 h ILE 104 Ca -0.06 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1ug7 h ILE 104 Cb 1.47 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1ug7 h ILE 104 CO 0.15 0.12 -0.60 -0.07 0.00 0.00 0.00 178.15 177.76 1ug7 h LEU 105 N 0.67 0.53 0.23 1.44 3.38 -1.15 0.59 115.31 121.00 1ug7 h LEU 105 Ca 0.28 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ug7 h LEU 105 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ug7 h LEU 105 CO -0.17 1.00 -0.11 0.11 0.09 0.00 0.00 178.44 179.36 1ug7 h LYS 106 N 0.35 -0.30 -1.05 1.13 1.79 -0.44 -2.92 116.57 115.12 1ug7 h LYS 106 Ca -0.00 0.02 -0.33 0.00 -2.18 0.00 0.00 60.65 58.16 1ug7 h LYS 106 Cb 1.14 0.07 -0.18 0.00 -1.58 0.00 0.00 32.23 31.67 1ug7 h LYS 106 CO 0.11 0.03 0.41 0.09 -1.08 0.00 0.00 179.45 179.01 1ug7 n ASN 107 N -5.07 3.90 -0.30 0.86 3.02 0.52 -4.49 115.26 113.68 1ug7 n ASN 107 Ca -0.09 -3.00 0.13 0.00 -0.03 0.00 0.00 54.58 51.58 1ug7 n ASN 107 Cb 0.25 -0.75 0.30 0.00 -0.61 0.00 0.00 39.78 38.97 1ug7 n ASN 107 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ug7 h ILE 108 N 0.65 0.50 -0.08 2.41 1.08 -0.67 1.54 117.51 122.94 1ug7 h ILE 108 Ca 0.38 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.70 1ug7 h ILE 108 Cb 1.96 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1ug7 h ILE 108 CO 0.71 0.08 0.01 -0.07 -0.69 0.00 0.00 178.15 178.18 1ug7 h LEU 109 N 0.42 0.14 -5.30 1.44 3.38 -1.84 -3.21 115.31 110.33 1ug7 h LEU 109 Ca 0.55 -0.27 -0.70 0.00 0.09 0.00 0.00 57.88 57.55 1ug7 h LEU 109 Cb 1.02 -0.04 -0.34 0.00 0.09 0.00 0.00 40.66 41.40 1ug7 h LEU 109 CO -0.51 0.37 0.25 1.07 0.09 0.00 0.00 178.44 179.72 1ug7 n THR 110 N -4.86 3.89 -4.38 0.22 5.66 0.69 -5.01 114.28 110.49 1ug7 n THR 110 Ca -0.06 -5.21 -0.35 0.00 -3.05 0.00 0.00 64.05 55.38 1ug7 n THR 110 Cb 0.17 -1.37 -0.09 0.00 -1.55 0.00 0.00 70.33 67.49 1ug7 n THR 110 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1ug7 s TYR 111 N -3.89 3.15 -0.18 1.09 6.14 0.49 -4.84 117.35 119.31 1ug7 s TYR 111 Ca 0.47 0.18 -0.29 0.00 0.64 0.00 0.00 57.07 58.07 1ug7 s TYR 111 Cb 0.33 -1.78 -0.02 0.00 0.42 0.00 0.00 41.96 40.91 1ug7 s TYR 111 CO -0.22 0.46 1.39 -0.80 0.64 0.00 0.00 175.55 177.02 1ug7 s ASN 112 N -0.91 6.75 0.79 4.32 -0.87 -1.26 -5.00 114.94 118.76 1ug7 s ASN 112 Ca 0.13 1.67 0.00 0.00 -1.57 0.00 0.00 52.86 53.09 1ug7 s ASN 112 Cb -0.11 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 1ug7 s ASN 112 CO 0.03 -0.94 0.00 0.29 -2.57 0.00 0.00 177.10 173.91 1ug7 n LYS 113 N 7.02 -1.10 0.00 -0.60 4.76 -1.26 -4.05 118.16 122.93 1ug7 n LYS 113 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1ug7 n LYS 113 Cb 0.45 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ug7 n GLU 114 N -1.45 0.00 -1.29 1.97 2.13 -1.26 -4.85 120.64 115.89 1ug7 n GLU 114 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ug7 n GLU 114 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ug7 n PHE 115 N 0.00 -3.49 -0.02 4.31 -0.00 -1.26 -4.86 117.46 112.13 1ug7 n PHE 115 Ca 0.00 1.85 -0.16 0.00 -0.00 0.00 0.00 57.45 59.14 1ug7 n PHE 115 Cb 0.00 -3.02 -0.11 0.00 -0.00 0.00 0.00 39.48 36.35 1ug7 n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ug7 h PRO 116 N 1.53 0.29 -6.63 -7.13 0.13 -1.91 -3.45 132.00 114.83 1ug7 h PRO 116 Ca 0.00 -0.28 -0.51 0.00 -0.87 0.00 0.00 66.00 64.33 1ug7 h PRO 116 Cb 0.00 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1ug7 h PRO 116 CO 0.00 0.97 0.42 -0.06 -0.23 0.00 0.00 178.00 179.10 1ug7 s PHE 117 N -3.32 3.72 -1.07 1.56 0.08 -1.26 -4.91 117.98 112.78 1ug7 s PHE 117 Ca -0.15 1.71 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 1ug7 s PHE 117 Cb 0.02 -3.16 -0.08 0.00 -0.57 0.00 0.00 43.02 39.24 1ug7 s PHE 117 CO 0.77 -0.19 2.16 -0.25 -0.10 0.00 0.00 175.22 177.62 1ug7 n ASP 118 N 2.43 4.14 -4.29 1.36 8.00 -1.26 -4.84 116.55 122.08 1ug7 n ASP 118 Ca 0.02 -2.62 -0.29 0.00 0.71 0.00 0.00 54.79 52.61 1ug7 n ASP 118 Cb 0.47 -1.29 -0.15 0.00 -0.02 0.00 0.00 41.12 40.13 1ug7 n ASP 118 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ug7 s VAL 119 N 3.86 1.95 0.40 2.53 -7.23 -1.26 -5.13 120.40 115.52 1ug7 s VAL 119 Ca 0.52 -1.14 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1ug7 s VAL 119 Cb 0.14 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1ug7 s VAL 119 CO 0.01 0.47 0.55 0.00 -0.31 0.00 0.00 175.10 175.82 1ug7 s GLN 120 N -0.80 2.94 0.09 4.82 0.00 -1.26 -4.84 119.66 120.62 1ug7 s GLN 120 Ca 0.10 -1.04 -0.30 0.00 -0.00 0.00 0.00 55.36 54.11 1ug7 s GLN 120 Cb -0.09 -2.74 -0.06 0.00 0.00 0.00 0.00 33.01 30.11 1ug7 s GLN 120 CO 0.00 -0.17 1.15 -1.25 0.00 0.00 0.00 175.29 175.02 1ug7 s PRO 121 N -4.33 4.49 -0.02 9.60 0.04 -1.26 -3.64 135.00 139.87 1ug7 s PRO 121 Ca 0.50 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1ug7 s PRO 121 Cb -0.10 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1ug7 s PRO 121 CO 0.33 -0.14 1.28 0.42 0.04 0.00 0.00 177.00 178.93 1ug7 s ILE 122 N 0.65 4.00 0.11 0.56 1.01 -1.26 -4.86 121.20 121.41 1ug7 s ILE 122 Ca 0.55 1.36 -0.15 0.00 0.00 0.00 0.00 60.65 62.42 1ug7 s ILE 122 Cb -0.29 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1ug7 s ILE 122 CO 0.31 0.01 0.37 -0.94 0.00 0.00 0.00 174.94 174.68 1ug7 s SER 123 N 1.61 -0.18 0.00 3.58 1.04 -1.26 -3.96 113.70 114.52 1ug7 s SER 123 Ca 0.59 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1ug7 s SER 123 Cb -0.28 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ug7 s SER 123 CO 0.24 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1ug7 n GLY 124 N -0.09 0.80 0.17 7.32 0.00 -1.26 -4.90 105.19 107.23 1ug7 n GLY 124 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1ug7 n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug7 h PRO 125 N 0.00 0.49 -5.92 1.61 0.13 -2.02 -3.41 132.00 122.87 1ug7 h PRO 125 Ca 0.00 -0.47 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1ug7 h PRO 125 Cb 0.00 0.12 -0.12 0.00 0.13 0.00 0.00 31.00 31.13 1ug7 h PRO 125 CO 0.00 1.11 0.51 -1.12 -0.23 0.00 0.00 178.00 178.27 1ug7 s SER 126 N -7.08 6.41 -0.21 1.44 0.01 -1.26 -5.01 113.70 108.00 1ug7 s SER 126 Ca -0.07 -0.14 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 1ug7 s SER 126 Cb 0.09 -2.42 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 1ug7 s SER 126 CO 0.87 -1.08 0.90 -0.44 0.41 0.00 0.00 173.24 173.90 1ug7 s SER 127 N 2.45 6.97 0.00 2.44 0.01 -1.26 -4.85 113.70 119.46 1ug7 s SER 127 Ca 0.32 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1ug7 s SER 127 Cb -0.12 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1ug7 s SER 127 CO 0.22 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.97