#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz7 s LEU 2 N 0.00 4.52 0.56 3.17 1.43 -1.26 -5.07 118.68 122.03 1xz7 s LEU 2 Ca 0.00 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1xz7 s LEU 2 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1xz7 s LEU 2 CO 0.00 -0.04 0.80 -0.94 0.23 0.00 0.00 176.35 176.41 1xz7 s SER 3 N -0.15 5.34 0.27 2.29 1.04 -1.26 -4.90 113.70 116.33 1xz7 s SER 3 Ca 0.46 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 1xz7 s SER 3 Cb -0.24 -1.11 0.48 0.00 0.10 0.00 0.00 66.02 65.26 1xz7 s SER 3 CO 0.30 -1.12 1.85 -0.65 0.98 0.00 0.00 173.24 174.59 1xz7 h PRO 4 N 0.00 0.99 -0.66 4.02 0.11 -1.99 -0.35 132.00 134.12 1xz7 h PRO 4 Ca -0.44 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1xz7 h PRO 4 Cb 1.29 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1xz7 h PRO 4 CO 0.55 0.66 0.28 0.00 -0.21 0.00 0.00 178.00 179.28 1xz7 h ALA 5 N 1.50 0.85 -0.18 -0.75 0.00 -2.00 -2.00 119.26 116.69 1xz7 h ALA 5 Ca 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xz7 h ALA 5 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xz7 h ALA 5 CO -0.23 0.45 0.11 -0.44 0.00 0.00 0.00 179.25 179.14 1xz7 h ASP 6 N 0.92 0.19 -0.75 0.00 3.32 -1.48 -1.38 116.42 117.24 1xz7 h ASP 6 Ca 0.22 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.33 1xz7 h ASP 6 Cb 0.17 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1xz7 h ASP 6 CO -0.02 0.14 0.45 0.11 -1.72 0.00 0.00 179.24 178.20 1xz7 h LYS 7 N 0.24 0.80 -0.50 3.56 1.57 -0.98 -0.85 116.57 120.41 1xz7 h LYS 7 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xz7 h LYS 7 Cb -0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1xz7 h LYS 7 CO -0.02 0.53 0.27 1.15 -0.57 0.00 0.00 179.45 180.81 1xz7 h THR 8 N 0.82 1.17 -0.51 -0.16 2.02 -1.04 -1.37 112.91 113.84 1xz7 h THR 8 Ca 0.33 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1xz7 h THR 8 Cb 0.17 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1xz7 h THR 8 CO -0.17 0.18 0.24 0.78 0.37 0.00 0.00 175.52 176.91 1xz7 h ASN 9 N 0.66 0.68 -0.34 4.18 -0.26 -0.65 -1.68 115.58 118.17 1xz7 h ASN 9 Ca 0.17 -0.14 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 1xz7 h ASN 9 Cb 0.05 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 1xz7 h ASN 9 CO -0.03 0.63 -0.20 0.58 -1.06 0.00 0.00 177.43 177.36 1xz7 h VAL 10 N 0.69 1.29 -0.86 2.81 2.07 -1.04 -1.33 116.25 119.88 1xz7 h VAL 10 Ca 0.18 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1xz7 h VAL 10 Cb 0.14 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1xz7 h VAL 10 CO -0.02 0.43 0.45 0.11 0.02 0.00 0.00 177.57 178.56 1xz7 h LYS 11 N 0.51 1.21 -0.04 1.57 1.57 -1.11 0.00 116.57 120.29 1xz7 h LYS 11 Ca 0.07 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1xz7 h LYS 11 Cb 0.74 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xz7 h LYS 11 CO 0.06 0.90 -0.00 0.00 -0.57 0.00 0.00 179.45 179.83 1xz7 h ALA 12 N 1.28 0.05 -0.21 3.86 0.00 -1.21 0.24 119.26 123.27 1xz7 h ALA 12 Ca 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xz7 h ALA 12 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xz7 h ALA 12 CO -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 179.25 178.89 1xz7 h ALA 13 N 0.68 0.28 -0.37 0.00 0.00 -1.16 -2.43 119.26 116.27 1xz7 h ALA 13 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1xz7 h ALA 13 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xz7 h ALA 13 CO 0.00 0.07 -0.04 2.35 0.00 0.00 0.00 179.25 181.63 1xz7 h TRP 14 N 0.12 0.63 -0.85 0.00 2.91 -1.01 -1.78 115.95 115.96 1xz7 h TRP 14 Ca 0.05 -0.08 0.14 0.00 1.13 0.00 0.00 58.89 60.13 1xz7 h TRP 14 Cb 0.51 -0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 28.89 1xz7 h TRP 14 CO 0.05 0.63 0.45 0.78 -1.03 0.00 0.00 178.44 179.32 1xz7 h GLY 15 N 0.91 1.38 2.00 2.65 0.00 -0.28 -1.71 103.07 108.01 1xz7 h GLY 15 Ca 0.11 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 1xz7 h GLY 15 CO 0.02 -0.02 -0.63 0.50 0.00 0.00 0.00 176.54 176.41 1xz7 h LYS 16 N 0.65 0.00 0.04 4.80 1.79 -0.85 -2.89 116.57 120.11 1xz7 h LYS 16 Ca 0.46 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.94 1xz7 h LYS 16 Cb 0.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1xz7 h LYS 16 CO -0.35 0.63 -0.06 0.28 -1.08 0.00 0.00 179.45 178.87 1xz7 h VAL 17 N 0.00 0.84 0.00 0.50 2.07 -0.77 -3.46 116.25 115.44 1xz7 h VAL 17 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xz7 h VAL 17 Cb 1.16 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1xz7 h VAL 17 CO 0.08 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1xz7 n GLY 18 N -1.18 3.24 1.59 2.17 0.00 -0.89 -1.34 105.19 108.78 1xz7 n GLY 18 Ca -0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1xz7 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xz7 n ALA 19 N 10.24 4.23 0.05 4.61 0.00 -1.26 -2.27 120.51 136.10 1xz7 n ALA 19 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1xz7 n ALA 19 Cb 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 1xz7 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz7 n HIS 20 N 0.92 0.00 -0.22 0.00 -0.00 -0.45 -4.84 115.22 110.63 1xz7 n HIS 20 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.81 1xz7 n HIS 20 Cb 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.58 1xz7 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xz7 h ALA 21 N 0.16 0.14 -0.99 -1.41 0.00 -1.58 0.37 119.26 115.96 1xz7 h ALA 21 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xz7 h ALA 21 Cb 0.03 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1xz7 h ALA 21 CO 0.00 -0.58 0.65 0.78 0.00 0.00 0.00 179.25 180.10 1xz7 h GLY 22 N -0.10 1.39 0.96 0.00 0.00 -1.86 0.01 103.07 103.46 1xz7 h GLY 22 Ca 0.27 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1xz7 h GLY 22 CO -0.70 0.51 0.09 -2.09 0.00 0.00 0.00 176.54 174.34 1xz7 h GLU 23 N 1.34 0.73 -0.27 4.80 4.81 -1.34 -2.21 114.58 122.43 1xz7 h GLU 23 Ca 0.36 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1xz7 h GLU 23 Cb -0.16 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1xz7 h GLU 23 CO -0.08 0.74 -0.29 1.88 -0.73 0.00 0.00 179.01 180.53 1xz7 h TYR 24 N 0.60 0.63 -0.15 0.92 0.05 -0.42 -1.60 116.97 117.00 1xz7 h TYR 24 Ca 0.14 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1xz7 h TYR 24 Cb 0.35 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1xz7 h TYR 24 CO 0.02 0.79 0.09 0.78 -1.05 0.00 0.00 178.16 178.78 1xz7 h GLY 25 N 1.03 0.20 1.03 3.88 0.00 -0.86 0.54 103.07 108.88 1xz7 h GLY 25 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xz7 h GLY 25 CO 0.06 0.06 0.42 0.00 0.00 0.00 0.00 176.54 177.08 1xz7 h ALA 26 N 1.06 1.08 -0.49 3.60 0.00 -1.20 -1.78 119.26 121.54 1xz7 h ALA 26 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xz7 h ALA 26 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1xz7 h ALA 26 CO -0.03 0.63 0.20 1.49 0.00 0.00 0.00 179.25 181.54 1xz7 h GLU 27 N 1.19 0.72 -0.77 0.00 4.81 -0.97 -1.80 114.58 117.76 1xz7 h GLU 27 Ca 0.29 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1xz7 h GLU 27 Cb 0.09 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1xz7 h GLU 27 CO -0.04 0.64 0.46 0.00 -0.73 0.00 0.00 179.01 179.34 1xz7 h ALA 28 N 1.05 1.05 -0.14 2.92 0.00 -0.52 0.61 119.26 124.23 1xz7 h ALA 28 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xz7 h ALA 28 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xz7 h ALA 28 CO -0.01 0.17 0.06 -0.07 0.00 0.00 0.00 179.25 179.39 1xz7 h LEU 29 N 0.83 0.19 -0.73 0.00 3.38 -1.07 -0.95 115.31 116.97 1xz7 h LEU 29 Ca 0.34 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1xz7 h LEU 29 Cb 0.18 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1xz7 h LEU 29 CO -0.18 0.29 0.44 -0.08 0.09 0.00 0.00 178.44 179.00 1xz7 h GLU 30 N 0.08 0.82 -0.53 1.13 4.81 -0.66 0.10 114.58 120.32 1xz7 h GLU 30 Ca 0.05 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1xz7 h GLU 30 Cb 0.16 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1xz7 h GLU 30 CO -0.00 0.54 0.34 0.00 -0.73 0.00 0.00 179.01 179.16 1xz7 h ARG 31 N 0.84 0.68 0.00 1.92 3.08 -0.72 -1.49 114.38 118.69 1xz7 h ARG 31 Ca 0.31 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1xz7 h ARG 31 Cb 0.10 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1xz7 h ARG 31 CO -0.14 0.45 -0.00 1.98 -1.07 0.00 0.00 179.97 181.18 1xz7 h MET 32 N 0.70 -0.01 -0.64 0.04 4.05 -0.34 -0.77 114.93 117.97 1xz7 h MET 32 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1xz7 h MET 32 Cb -0.05 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 1xz7 h MET 32 CO -0.06 0.10 0.41 0.74 0.23 0.00 0.00 176.91 178.33 1xz7 h PHE 33 N -0.11 0.82 0.16 1.39 0.04 -0.59 0.40 116.94 119.04 1xz7 h PHE 33 Ca -0.00 0.01 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 1xz7 h PHE 33 Cb 0.11 -0.27 0.03 0.00 2.20 0.00 0.00 35.95 38.01 1xz7 h PHE 33 CO -0.04 0.53 -1.14 -0.07 -0.60 0.00 0.00 178.31 176.98 1xz7 h LEU 34 N 0.87 0.74 -0.24 1.54 3.38 -1.13 -3.28 115.31 117.19 1xz7 h LEU 34 Ca 0.23 -0.88 -0.20 0.00 0.09 0.00 0.00 57.88 57.12 1xz7 h LEU 34 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xz7 h LEU 34 CO -0.05 1.55 -0.91 0.28 0.09 0.00 0.00 178.44 179.40 1xz7 h SER 35 N 0.03 0.24 -2.68 -0.43 0.02 -1.03 -3.40 113.55 106.31 1xz7 h SER 35 Ca -0.19 -0.20 -0.60 0.00 -0.84 0.00 0.00 61.79 59.96 1xz7 h SER 35 Cb 1.87 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 63.93 1xz7 h SER 35 CO 0.22 1.03 -0.79 0.49 -1.14 0.00 0.00 176.83 176.63 1xz7 n PHE 36 N -3.62 1.04 0.15 3.45 3.72 0.12 -5.00 117.46 117.31 1xz7 n PHE 36 Ca -0.04 -3.78 0.19 0.00 -0.05 0.00 0.00 57.45 53.77 1xz7 n PHE 36 Cb 0.83 -0.16 0.78 0.00 -0.94 0.00 0.00 39.48 39.99 1xz7 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xz7 h PRO 37 N 5.47 0.00 0.00 -1.08 0.11 -1.75 -0.65 132.00 134.09 1xz7 h PRO 37 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1xz7 h PRO 37 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xz7 h PRO 37 CO 0.54 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.12 1xz7 h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -1.43 112.91 109.76 1xz7 h THR 38 Ca 0.14 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1xz7 h THR 38 Cb 0.81 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1xz7 h THR 38 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 1xz7 n THR 39 N -2.80 0.76 0.28 6.82 -2.24 -0.25 -2.68 114.28 114.16 1xz7 n THR 39 Ca -0.00 0.08 0.16 0.00 -2.27 0.00 0.00 64.05 62.02 1xz7 n THR 39 Cb 0.21 -1.01 0.60 0.00 -2.10 0.00 0.00 70.33 68.03 1xz7 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xz7 h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.45 -3.14 116.57 112.77 1xz7 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xz7 h LYS 40 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1xz7 h LYS 40 CO 0.00 0.00 0.08 1.79 -0.57 0.00 0.00 179.45 180.75 1xz7 h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.69 -1.50 112.91 110.91 1xz7 h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xz7 h THR 41 Cb 0.57 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1xz7 h THR 41 CO 0.00 0.00 -0.30 -1.22 -0.25 0.00 0.00 175.52 173.75 1xz7 n TYR 42 N -3.02 0.00 -2.54 4.73 4.01 -1.19 -4.34 117.16 114.82 1xz7 n TYR 42 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1xz7 n TYR 42 Cb 0.14 -0.31 0.01 0.00 -0.31 0.00 0.00 39.34 38.87 1xz7 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xz7 n PHE 43 N -1.42 2.46 0.42 -0.72 3.01 -0.56 -4.86 117.46 115.79 1xz7 n PHE 43 Ca 0.07 -2.92 0.10 0.00 1.01 0.00 0.00 57.45 55.71 1xz7 n PHE 43 Cb 0.33 -0.21 0.44 0.00 -0.01 0.00 0.00 39.48 40.03 1xz7 n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xz7 n PRO 44 N -0.34 0.14 0.00 -1.08 -0.04 -1.25 -2.12 135.00 130.32 1xz7 n PRO 44 Ca 0.27 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1xz7 n PRO 44 Cb 0.74 -1.77 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1xz7 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1xz7 n HIS 45 N -2.03 0.00 -3.67 0.54 1.44 -1.26 -4.93 115.22 105.30 1xz7 n HIS 45 Ca 0.02 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 1xz7 n HIS 45 Cb 0.21 -0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.28 1xz7 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xz7 s PHE 46 N -2.09 3.48 -0.25 -1.40 0.40 -0.90 -5.06 117.98 112.15 1xz7 s PHE 46 Ca 0.27 0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 56.81 1xz7 s PHE 46 Cb 0.20 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 1xz7 s PHE 46 CO 0.35 0.40 0.82 0.34 0.70 0.00 0.00 175.22 177.83 1xz7 s ASP 47 N -2.78 6.79 -0.04 1.36 2.15 -1.26 -4.93 116.67 117.96 1xz7 s ASP 47 Ca 0.40 0.96 0.18 0.00 0.43 0.00 0.00 52.55 54.51 1xz7 s ASP 47 Cb -0.12 -2.43 0.56 0.00 -0.30 0.00 0.00 42.92 40.63 1xz7 s ASP 47 CO 0.27 -0.53 1.47 0.18 -0.17 0.00 0.00 175.17 176.39 1xz7 n LEU 48 N 6.04 3.84 -4.72 -1.34 4.77 -1.26 -4.51 117.00 119.82 1xz7 n LEU 48 Ca 0.05 -2.16 -0.32 0.00 -0.03 0.00 0.00 56.01 53.55 1xz7 n LEU 48 Cb 0.48 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 41.25 1xz7 n LEU 48 CO 0.48 0.86 0.71 -0.94 -1.33 0.00 0.00 177.39 177.16 1xz7 s SER 49 N -1.03 3.87 0.15 -1.43 1.04 -1.26 -4.88 113.70 110.15 1xz7 s SER 49 Ca 0.42 2.06 -0.33 0.00 0.48 0.00 0.00 55.95 58.58 1xz7 s SER 49 Cb 0.24 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.68 1xz7 s SER 49 CO 0.25 -2.47 1.72 1.57 0.98 0.00 0.00 173.24 175.29 1xz7 n HIS 50 N -3.61 2.53 -0.80 5.02 -0.00 -1.26 -1.73 115.22 115.37 1xz7 n HIS 50 Ca 0.11 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1xz7 n HIS 50 Cb 0.52 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1xz7 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xz7 n GLY 51 N 3.89 0.69 3.65 1.57 0.00 -1.26 -5.01 105.19 108.71 1xz7 n GLY 51 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xz7 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xz7 n SER 52 N 0.00 1.95 0.20 1.61 2.88 -0.70 -4.87 113.62 114.68 1xz7 n SER 52 Ca 0.00 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.72 1xz7 n SER 52 Cb 0.00 -1.40 0.40 0.00 -0.75 0.00 0.00 64.21 62.46 1xz7 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xz7 h ALA 53 N 2.06 1.36 -0.15 -1.46 0.00 -1.91 -1.79 119.26 117.37 1xz7 h ALA 53 Ca -0.44 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 53.98 1xz7 h ALA 53 Cb 1.31 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xz7 h ALA 53 CO 0.60 0.42 -0.64 1.96 0.00 0.00 0.00 179.25 181.59 1xz7 h GLN 54 N 0.00 0.56 0.10 0.00 4.20 -1.90 -1.24 115.11 116.82 1xz7 h GLN 54 Ca -0.00 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 1xz7 h GLN 54 Cb 0.63 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1xz7 h GLN 54 CO 0.04 1.02 -0.05 0.28 -0.67 0.00 0.00 178.83 179.46 1xz7 h VAL 55 N 0.41 1.04 -0.83 -0.54 2.07 -1.71 0.44 116.25 117.12 1xz7 h VAL 55 Ca -0.01 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1xz7 h VAL 55 Cb 1.21 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 1xz7 h VAL 55 CO 0.12 0.12 0.52 0.11 0.02 0.00 0.00 177.57 178.46 1xz7 h LYS 56 N -0.35 0.92 -0.37 1.57 1.79 -1.33 0.11 116.57 118.90 1xz7 h LYS 56 Ca -0.01 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.32 1xz7 h LYS 56 Cb 0.30 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1xz7 h LYS 56 CO 0.02 0.61 -0.07 0.78 -1.08 0.00 0.00 179.45 179.72 1xz7 h GLY 57 N 0.95 0.76 0.99 3.86 0.00 -1.00 -2.35 103.07 106.28 1xz7 h GLY 57 Ca 0.36 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1xz7 h GLY 57 CO -0.16 0.56 -0.17 0.84 0.00 0.00 0.00 176.54 177.61 1xz7 h HIS 58 N 0.51 0.88 -0.98 5.60 -0.00 -0.57 -2.89 115.15 117.70 1xz7 h HIS 58 Ca 0.10 -0.22 0.13 0.00 -0.00 0.00 0.00 60.37 60.38 1xz7 h HIS 58 Cb 0.57 -0.20 -0.08 0.00 -0.00 0.00 0.00 27.41 27.69 1xz7 h HIS 58 CO 0.05 0.95 0.62 0.78 -0.00 0.00 0.00 177.93 180.32 1xz7 h GLY 59 N 0.56 1.55 0.91 5.26 0.00 -0.67 -1.00 103.07 109.68 1xz7 h GLY 59 Ca 0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1xz7 h GLY 59 CO 0.05 0.13 -0.00 1.70 0.00 0.00 0.00 176.54 178.42 1xz7 h LYS 60 N 0.92 0.61 -0.67 4.80 1.63 -1.33 -1.29 116.57 121.23 1xz7 h LYS 60 Ca 0.49 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 60.07 1xz7 h LYS 60 Cb 0.56 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1xz7 h LYS 60 CO -0.26 0.73 0.31 0.87 -3.45 0.00 0.00 179.45 177.66 1xz7 h LYS 61 N 0.42 0.97 -0.23 1.90 1.57 -1.13 0.18 116.57 120.24 1xz7 h LYS 61 Ca 0.10 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xz7 h LYS 61 Cb 0.46 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1xz7 h LYS 61 CO 0.02 0.78 0.09 0.28 -0.57 0.00 0.00 179.45 180.05 1xz7 h VAL 62 N 0.93 1.17 -0.55 0.50 2.07 -1.17 -2.09 116.25 117.10 1xz7 h VAL 62 Ca 0.23 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1xz7 h VAL 62 Cb 0.14 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1xz7 h VAL 62 CO -0.03 0.17 0.36 0.00 0.02 0.00 0.00 177.57 178.09 1xz7 h ALA 63 N 0.93 0.70 -0.78 1.67 0.00 -0.79 -1.57 119.26 119.42 1xz7 h ALA 63 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xz7 h ALA 63 Cb 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1xz7 h ALA 63 CO -0.01 0.14 0.48 -0.44 0.00 0.00 0.00 179.25 179.43 1xz7 h ASP 64 N 0.74 0.92 -0.67 0.00 3.32 -0.60 -0.15 116.42 119.98 1xz7 h ASP 64 Ca 0.20 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1xz7 h ASP 64 Cb -0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1xz7 h ASP 64 CO -0.04 0.69 0.16 0.00 -1.72 0.00 0.00 179.24 178.33 1xz7 h ALA 65 N 1.47 0.88 -0.51 3.45 0.00 -0.73 -0.54 119.26 123.28 1xz7 h ALA 65 Ca 0.28 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1xz7 h ALA 65 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1xz7 h ALA 65 CO -0.06 0.61 -0.15 -0.07 0.00 0.00 0.00 179.25 179.58 1xz7 h LEU 66 N 1.00 1.01 -0.67 0.00 3.38 -0.83 -1.05 115.31 118.15 1xz7 h LEU 66 Ca 0.21 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1xz7 h LEU 66 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1xz7 h LEU 66 CO 0.00 1.14 0.36 0.74 0.09 0.00 0.00 178.44 180.78 1xz7 h THR 67 N 0.88 1.21 -0.66 0.22 2.02 -0.81 -0.40 112.91 115.37 1xz7 h THR 67 Ca 0.13 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1xz7 h THR 67 Cb 0.72 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1xz7 h THR 67 CO 0.06 0.24 0.12 -1.13 0.37 0.00 0.00 175.52 175.17 1xz7 h ASN 68 N 0.92 1.02 -0.78 4.18 -1.24 -0.97 -1.04 115.58 117.67 1xz7 h ASN 68 Ca 0.23 -0.23 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1xz7 h ASN 68 Cb 0.05 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 1xz7 h ASN 68 CO -0.04 1.01 0.30 0.00 -1.29 0.00 0.00 177.43 177.41 1xz7 h ALA 69 N 1.11 1.02 -0.72 1.57 0.00 -0.62 -1.56 119.26 120.07 1xz7 h ALA 69 Ca 0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xz7 h ALA 69 Cb 0.41 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xz7 h ALA 69 CO 0.01 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.38 1xz7 h VAL 70 N 1.14 1.26 0.00 0.00 2.07 -0.78 -1.79 116.25 118.16 1xz7 h VAL 70 Ca 0.26 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1xz7 h VAL 70 Cb 0.24 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1xz7 h VAL 70 CO -0.02 0.37 -0.09 0.00 0.02 0.00 0.00 177.57 177.85 1xz7 h ALA 71 N 1.12 1.56 -1.12 1.67 0.00 -0.80 -3.03 119.26 118.66 1xz7 h ALA 71 Ca 0.23 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.51 1xz7 h ALA 71 Cb 0.35 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.70 1xz7 h ALA 71 CO -0.00 0.11 -0.81 0.72 0.00 0.00 0.00 179.25 179.27 1xz7 n HIS 72 N -4.01 2.93 0.27 0.00 8.25 -0.62 -4.88 115.22 117.16 1xz7 n HIS 72 Ca -0.02 -2.68 0.12 0.00 -0.26 0.00 0.00 57.72 54.87 1xz7 n HIS 72 Cb 0.18 -0.21 0.75 0.00 1.12 0.00 0.00 29.99 31.83 1xz7 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xz7 h VAL 73 N 2.57 0.73 -0.18 1.59 3.04 -1.22 0.43 116.25 123.21 1xz7 h VAL 73 Ca 0.29 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1xz7 h VAL 73 Cb 1.21 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1xz7 h VAL 73 CO 0.77 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.85 1xz7 n ASP 74 N -4.01 1.47 -2.76 3.17 8.00 -1.26 -4.26 116.55 116.90 1xz7 n ASP 74 Ca -0.03 -1.74 -0.01 0.00 0.71 0.00 0.00 54.79 53.73 1xz7 n ASP 74 Cb 0.15 -0.11 0.09 0.00 -0.02 0.00 0.00 41.12 41.22 1xz7 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xz7 n ASP 75 N 0.21 0.12 -0.17 -2.24 2.03 0.12 -5.01 116.55 111.61 1xz7 n ASP 75 Ca 0.15 -2.12 -0.08 0.00 0.52 0.00 0.00 54.79 53.26 1xz7 n ASP 75 Cb 0.28 0.08 0.01 0.00 -0.72 0.00 0.00 41.12 40.78 1xz7 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xz7 h MET 76 N 1.84 0.68 -0.93 -0.67 2.86 -1.67 -1.59 114.93 115.46 1xz7 h MET 76 Ca -0.29 -0.08 0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1xz7 h MET 76 Cb 1.28 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.73 1xz7 h MET 76 CO 0.00 0.53 0.60 -1.35 1.06 0.00 0.00 176.91 177.75 1xz7 h PRO 77 N 0.66 0.62 0.19 -0.22 0.11 -1.95 -0.71 132.00 130.70 1xz7 h PRO 77 Ca 0.17 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.99 1xz7 h PRO 77 Cb 0.04 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 31.03 1xz7 h PRO 77 CO -0.03 0.41 -1.14 -0.91 -0.21 0.00 0.00 178.00 176.12 1xz7 h ASN 78 N 0.64 0.62 -0.50 -2.05 2.35 -1.83 -2.90 115.58 111.91 1xz7 h ASN 78 Ca 0.49 -0.94 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1xz7 h ASN 78 Cb 0.89 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1xz7 h ASN 78 CO -0.24 1.55 0.33 0.00 -1.65 0.00 0.00 177.43 177.41 1xz7 h ALA 79 N 0.10 1.69 -0.70 -0.83 0.00 -0.93 -2.41 119.26 116.18 1xz7 h ALA 79 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xz7 h ALA 79 Cb 1.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1xz7 h ALA 79 CO 0.20 0.28 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1xz7 n LEU 80 N -4.47 4.32 -0.13 0.00 4.77 -0.31 -4.66 117.00 116.53 1xz7 n LEU 80 Ca 0.05 -2.19 -0.04 0.00 -0.03 0.00 0.00 56.01 53.80 1xz7 n LEU 80 Cb 0.08 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1xz7 n LEU 80 CO 0.35 0.92 0.81 -1.28 -1.33 0.00 0.00 177.39 176.86 1xz7 h SER 81 N 4.22 -0.30 -0.47 -1.43 0.87 -1.21 -0.18 113.55 115.05 1xz7 h SER 81 Ca 0.00 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1xz7 h SER 81 Cb 1.19 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.36 1xz7 h SER 81 CO 0.10 -0.11 0.22 0.00 -0.53 0.00 0.00 176.83 176.51 1xz7 h ALA 82 N 1.41 1.43 -0.12 6.23 0.00 -1.83 -1.12 119.26 125.26 1xz7 h ALA 82 Ca 0.21 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1xz7 h ALA 82 Cb 0.32 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xz7 h ALA 82 CO -0.41 0.44 -0.82 -0.07 0.00 0.00 0.00 179.25 178.40 1xz7 h LEU 83 N 0.72 0.90 -0.81 0.00 3.38 -1.63 -2.01 115.31 115.86 1xz7 h LEU 83 Ca 0.18 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1xz7 h LEU 83 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1xz7 h LEU 83 CO -0.02 1.41 0.53 -1.28 0.09 0.00 0.00 178.44 179.16 1xz7 h SER 84 N 0.49 0.93 -0.35 -0.43 0.87 -0.56 -1.65 113.55 112.86 1xz7 h SER 84 Ca -0.06 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1xz7 h SER 84 Cb 1.45 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1xz7 h SER 84 CO 0.16 0.69 0.20 0.44 -0.53 0.00 0.00 176.83 177.79 1xz7 h ASP 85 N 1.10 0.43 0.15 6.23 3.32 -1.11 -2.36 116.42 124.18 1xz7 h ASP 85 Ca 0.29 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1xz7 h ASP 85 Cb -0.11 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1xz7 h ASP 85 CO -0.06 0.38 -0.16 0.25 -1.72 0.00 0.00 179.24 177.92 1xz7 h LEU 86 N 0.44 -0.44 -0.95 1.55 5.85 -1.04 -0.90 115.31 119.83 1xz7 h LEU 86 Ca 0.12 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xz7 h LEU 86 Cb 0.04 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1xz7 h LEU 86 CO -0.02 -0.25 0.42 0.45 -0.34 0.00 0.00 178.44 178.70 1xz7 h HIS 87 N -0.35 1.16 -0.24 1.25 3.86 -1.33 -0.13 115.15 119.36 1xz7 h HIS 87 Ca 0.01 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 1xz7 h HIS 87 Cb 0.34 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1xz7 h HIS 87 CO -0.14 0.82 -0.29 0.00 0.86 0.00 0.00 177.93 179.18 1xz7 h ALA 88 N 1.29 1.04 0.00 2.45 0.00 -1.16 -3.20 119.26 119.68 1xz7 h ALA 88 Ca 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xz7 h ALA 88 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xz7 h ALA 88 CO -0.04 0.58 -1.44 0.72 0.00 0.00 0.00 179.25 179.07 1xz7 n HIS 89 N -4.09 0.00 -0.00 0.00 8.25 -0.36 -4.69 115.22 114.32 1xz7 n HIS 89 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1xz7 n HIS 89 Cb 0.43 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 1xz7 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xz7 n LYS 90 N -1.84 0.44 -4.41 -0.41 4.81 -0.08 -5.05 118.16 111.62 1xz7 n LYS 90 Ca -0.02 -0.04 -0.26 0.00 -0.87 0.00 0.00 58.31 57.13 1xz7 n LYS 90 Cb 0.26 -1.11 -0.09 0.00 0.02 0.00 0.00 35.03 34.11 1xz7 n LYS 90 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xz7 s LEU 91 N -3.41 2.93 -0.32 3.14 1.43 -1.18 -5.04 118.68 116.24 1xz7 s LEU 91 Ca -0.02 -1.15 0.13 0.00 -1.03 0.00 0.00 54.13 52.07 1xz7 s LEU 91 Cb 0.03 -1.18 0.47 0.00 0.03 0.00 0.00 46.19 45.53 1xz7 s LEU 91 CO 0.18 -0.34 1.11 0.00 0.23 0.00 0.00 176.35 177.53 1xz7 n ALA 92 N -0.98 4.07 -2.43 4.21 0.00 -1.26 -4.63 120.51 119.49 1xz7 n ALA 92 Ca -0.04 -3.50 -0.43 0.00 0.00 0.00 0.00 53.44 49.47 1xz7 n ALA 92 Cb 0.64 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 1xz7 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xz7 s VAL 93 N -4.32 4.13 0.32 0.00 1.01 -1.26 -4.96 120.40 115.32 1xz7 s VAL 93 Ca 0.39 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1xz7 s VAL 93 Cb 0.39 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 1xz7 s VAL 93 CO -0.03 -0.54 1.53 -0.62 0.00 0.00 0.00 175.10 175.44 1xz7 s ASP 94 N 2.87 6.41 0.54 3.32 -1.08 -1.26 -4.87 116.67 122.61 1xz7 s ASP 94 Ca 0.56 2.94 0.33 0.00 -0.52 0.00 0.00 52.55 55.86 1xz7 s ASP 94 Cb -0.16 -2.65 1.50 0.00 -1.46 0.00 0.00 42.92 40.16 1xz7 s ASP 94 CO 0.24 -0.86 1.85 -0.65 0.52 0.00 0.00 175.17 176.28 1xz7 h PRO 95 N 4.18 0.00 0.00 4.34 0.11 -2.01 -1.99 132.00 136.63 1xz7 h PRO 95 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1xz7 h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xz7 h PRO 95 CO 0.73 0.00 -0.13 -0.39 -0.21 0.00 0.00 178.00 178.00 1xz7 h VAL 96 N 0.00 0.99 0.00 3.15 -1.51 -2.02 -2.42 116.25 114.44 1xz7 h VAL 96 Ca 0.46 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 65.45 1xz7 h VAL 96 Cb 1.89 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1xz7 h VAL 96 CO -0.00 0.13 -0.12 0.78 -1.23 0.00 0.00 177.57 177.12 1xz7 h ASN 97 N 0.00 0.00 -0.29 4.19 4.21 -1.72 -1.47 115.58 120.49 1xz7 h ASN 97 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1xz7 h ASN 97 Cb 0.24 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1xz7 h ASN 97 CO 0.02 0.12 -0.04 -0.26 -1.29 0.00 0.00 177.43 175.99 1xz7 h PHE 98 N 0.00 0.70 -0.40 1.19 -1.00 -1.61 -1.46 116.94 114.36 1xz7 h PHE 98 Ca -0.00 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.60 1xz7 h PHE 98 Cb 0.23 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1xz7 h PHE 98 CO 0.00 0.69 -0.08 0.87 -1.61 0.00 0.00 178.31 178.18 1xz7 h LYS 99 N 0.62 0.70 -0.24 1.51 1.57 -1.38 -0.89 116.57 118.46 1xz7 h LYS 99 Ca 0.12 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1xz7 h LYS 99 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xz7 h LYS 99 CO 0.02 0.77 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.48 1xz7 h LEU 100 N 0.64 0.51 -0.44 2.94 3.38 -1.08 -1.80 115.31 119.47 1xz7 h LEU 100 Ca 0.12 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1xz7 h LEU 100 Cb 0.52 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xz7 h LEU 100 CO 0.03 0.81 0.14 0.25 0.09 0.00 0.00 178.44 179.76 1xz7 h LEU 101 N 0.21 0.64 -0.57 1.67 5.85 -1.23 -2.03 115.31 119.85 1xz7 h LEU 101 Ca 0.05 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1xz7 h LEU 101 Cb 0.62 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1xz7 h LEU 101 CO 0.04 0.67 0.30 0.28 -0.34 0.00 0.00 178.44 179.39 1xz7 h SER 102 N 0.57 0.45 -0.29 1.25 0.02 -1.11 0.13 113.55 114.56 1xz7 h SER 102 Ca 0.14 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1xz7 h SER 102 Cb 0.26 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1xz7 h SER 102 CO -0.01 0.30 0.13 -0.74 -1.14 0.00 0.00 176.83 175.38 1xz7 h HIS 103 N 0.58 0.24 -0.36 3.45 -0.00 -1.17 -1.33 115.15 116.55 1xz7 h HIS 103 Ca 0.25 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 1xz7 h HIS 103 Cb 0.14 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 1xz7 h HIS 103 CO -0.09 0.12 0.07 0.00 -0.00 0.00 0.00 177.93 178.04 1xz7 h LEU 105 N 0.52 0.99 -0.55 0.00 3.38 -0.45 -1.72 115.31 117.48 1xz7 h LEU 105 Ca 0.12 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1xz7 h LEU 105 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xz7 h LEU 105 CO -0.00 1.03 0.06 -0.07 0.09 0.00 0.00 178.44 179.55 1xz7 h LEU 106 N 0.95 0.91 -0.51 1.67 3.38 -0.30 -1.22 115.31 120.18 1xz7 h LEU 106 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xz7 h LEU 106 Cb 0.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xz7 h LEU 106 CO 0.02 0.95 0.33 0.58 0.09 0.00 0.00 178.44 180.41 1xz7 h VAL 107 N 0.82 1.14 -0.45 1.22 2.07 -1.09 0.64 116.25 120.60 1xz7 h VAL 107 Ca 0.16 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1xz7 h VAL 107 Cb 0.45 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1xz7 h VAL 107 CO 0.02 0.13 0.26 0.74 0.02 0.00 0.00 177.57 178.74 1xz7 h THR 108 N 0.68 1.15 -0.45 2.57 2.02 -1.11 0.91 112.91 118.68 1xz7 h THR 108 Ca 0.18 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1xz7 h THR 108 Cb -0.06 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1xz7 h THR 108 CO -0.04 0.16 -0.00 -0.07 0.37 0.00 0.00 175.52 175.94 1xz7 h LEU 109 N 0.59 0.79 -0.74 2.58 3.38 -0.99 -2.18 115.31 118.74 1xz7 h LEU 109 Ca 0.16 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xz7 h LEU 109 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1xz7 h LEU 109 CO -0.03 0.90 0.46 0.00 0.09 0.00 0.00 178.44 179.87 1xz7 h ALA 110 N 0.91 0.97 0.00 1.53 0.00 -0.61 0.23 119.26 122.29 1xz7 h ALA 110 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xz7 h ALA 110 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xz7 h ALA 110 CO 0.02 0.25 -0.08 0.00 0.00 0.00 0.00 179.25 179.45 1xz7 h ALA 111 N 1.31 1.21 0.00 0.00 0.00 -0.30 -3.25 119.26 118.23 1xz7 h ALA 111 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xz7 h ALA 111 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xz7 h ALA 111 CO -0.11 0.10 -1.22 0.72 0.00 0.00 0.00 179.25 178.74 1xz7 n HIS 112 N -3.48 0.00 -3.02 0.00 -0.00 -0.83 -4.77 115.22 103.12 1xz7 n HIS 112 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.45 1xz7 n HIS 112 Cb 0.22 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 1xz7 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xz7 n LEU 113 N -1.69 3.61 -0.19 2.41 4.32 0.75 -4.96 117.00 121.25 1xz7 n LEU 113 Ca -0.01 -5.52 -0.00 0.00 -0.02 0.00 0.00 56.01 50.46 1xz7 n LEU 113 Cb 0.21 -0.27 0.09 0.00 -1.62 0.00 0.00 43.42 41.83 1xz7 n LEU 113 CO 0.18 2.33 0.89 1.55 -1.22 0.00 0.00 177.39 181.11 1xz7 h PRO 114 N 3.06 0.20 -0.07 3.23 0.13 -1.81 -1.58 132.00 135.15 1xz7 h PRO 114 Ca 0.13 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 1xz7 h PRO 114 Cb 0.62 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1xz7 h PRO 114 CO 0.75 0.13 -0.57 0.00 -0.23 0.00 0.00 178.00 178.07 1xz7 h ALA 115 N 1.48 0.89 0.00 -0.56 0.00 -1.94 -3.26 119.26 115.88 1xz7 h ALA 115 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xz7 h ALA 115 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xz7 h ALA 115 CO -0.42 0.71 -0.63 1.05 0.00 0.00 0.00 179.25 179.96 1xz7 h GLU 116 N 0.17 0.00 -3.27 0.00 9.09 -1.87 -3.40 114.58 115.31 1xz7 h GLU 116 Ca -0.00 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 58.70 1xz7 h GLU 116 Cb 1.06 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.12 1xz7 h GLU 116 CO 0.09 0.00 3.21 0.34 0.05 0.00 0.00 179.01 182.70 1xz7 n PHE 117 N -2.82 2.81 -1.75 2.06 7.35 -0.63 -4.74 117.46 119.74 1xz7 n PHE 117 Ca 0.02 -2.98 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 1xz7 n PHE 117 Cb 0.54 -2.34 0.08 0.00 0.35 0.00 0.00 39.48 38.11 1xz7 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz7 s THR 118 N 1.69 2.71 0.20 -2.13 -4.23 -1.26 -4.78 115.64 107.83 1xz7 s THR 118 Ca 0.57 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.21 1xz7 s THR 118 Cb 0.16 -3.12 0.13 0.00 1.34 0.00 0.00 72.50 71.00 1xz7 s THR 118 CO -0.07 -0.30 1.74 -0.65 -0.54 0.00 0.00 174.62 174.80 1xz7 h PRO 119 N -1.02 0.35 -0.44 3.99 0.11 -1.99 0.13 132.00 133.14 1xz7 h PRO 119 Ca -0.47 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1xz7 h PRO 119 Cb 1.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xz7 h PRO 119 CO 0.63 0.23 -0.11 0.00 -0.21 0.00 0.00 178.00 178.54 1xz7 h ALA 120 N 1.39 0.98 -0.46 -0.75 0.00 -1.96 -1.21 119.26 117.25 1xz7 h ALA 120 Ca 0.28 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xz7 h ALA 120 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xz7 h ALA 120 CO -0.29 0.61 -0.20 0.28 0.00 0.00 0.00 179.25 179.64 1xz7 h VAL 121 N 0.71 1.27 -0.59 0.00 2.07 -1.78 -1.61 116.25 116.34 1xz7 h VAL 121 Ca 0.12 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.33 1xz7 h VAL 121 Cb 0.60 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1xz7 h VAL 121 CO 0.04 0.46 0.33 -0.74 0.02 0.00 0.00 177.57 177.69 1xz7 h HIS 122 N 0.78 0.62 -0.41 1.57 6.17 -0.48 0.43 115.15 123.83 1xz7 h HIS 122 Ca 0.11 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.18 1xz7 h HIS 122 Cb 0.77 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 1xz7 h HIS 122 CO 0.05 0.32 0.16 0.00 0.71 0.00 0.00 177.93 179.18 1xz7 h ALA 123 N 1.29 0.54 -0.43 5.26 0.00 -1.10 -1.30 119.26 123.52 1xz7 h ALA 123 Ca 0.25 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1xz7 h ALA 123 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xz7 h ALA 123 CO -0.14 0.15 -0.16 0.77 0.00 0.00 0.00 179.25 179.87 1xz7 h SER 124 N 0.53 0.89 -0.90 0.00 0.02 -0.85 -2.01 113.55 111.22 1xz7 h SER 124 Ca 0.14 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1xz7 h SER 124 Cb 0.20 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1xz7 h SER 124 CO -0.01 1.07 0.55 -0.07 -1.14 0.00 0.00 176.83 177.23 1xz7 h LEU 125 N 0.69 1.07 -0.29 5.07 3.38 -0.82 0.57 115.31 124.99 1xz7 h LEU 125 Ca 0.10 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xz7 h LEU 125 Cb 0.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xz7 h LEU 125 CO 0.05 0.82 -0.08 -0.78 0.09 0.00 0.00 178.44 178.54 1xz7 h ASP 126 N 1.24 0.57 -0.56 -0.43 3.58 -0.98 -0.90 116.42 118.93 1xz7 h ASP 126 Ca 0.32 -0.37 0.04 0.00 0.42 0.00 0.00 57.03 57.44 1xz7 h ASP 126 Cb -0.07 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 1xz7 h ASP 126 CO -0.06 0.81 0.32 0.11 -2.88 0.00 0.00 179.24 177.53 1xz7 h LYS 127 N 0.32 0.60 0.01 0.28 1.57 -1.09 -1.05 116.57 117.21 1xz7 h LYS 127 Ca 0.07 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xz7 h LYS 127 Cb 0.57 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1xz7 h LYS 127 CO 0.03 0.39 -0.10 0.35 -0.57 0.00 0.00 179.45 179.55 1xz7 h PHE 128 N 0.61 -0.25 -0.50 -1.35 3.57 -0.53 0.04 116.94 118.53 1xz7 h PHE 128 Ca 0.23 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1xz7 h PHE 128 Cb 0.08 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1xz7 h PHE 128 CO -0.08 -0.15 0.10 -0.07 -2.23 0.00 0.00 178.31 175.88 1xz7 h LEU 129 N -0.18 0.72 -0.88 0.59 3.38 -1.05 -0.36 115.31 117.53 1xz7 h LEU 129 Ca 0.03 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xz7 h LEU 129 Cb 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1xz7 h LEU 129 CO -0.09 0.72 0.57 0.00 0.09 0.00 0.00 178.44 179.73 1xz7 h ALA 130 N 1.37 1.11 -0.38 1.53 0.00 -0.93 0.09 119.26 122.06 1xz7 h ALA 130 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xz7 h ALA 130 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xz7 h ALA 130 CO 0.00 0.53 0.06 0.77 0.00 0.00 0.00 179.25 180.61 1xz7 h SER 131 N 1.19 0.60 -0.60 0.00 0.02 -0.02 -0.83 113.55 113.92 1xz7 h SER 131 Ca 0.32 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1xz7 h SER 131 Cb -0.12 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 1xz7 h SER 131 CO -0.07 0.71 0.37 0.58 -1.14 0.00 0.00 176.83 177.29 1xz7 h VAL 132 N 0.47 1.09 -0.74 2.27 2.07 -0.87 -1.83 116.25 118.71 1xz7 h VAL 132 Ca 0.11 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1xz7 h VAL 132 Cb 0.37 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1xz7 h VAL 132 CO 0.01 0.14 0.41 0.28 0.02 0.00 0.00 177.57 178.42 1xz7 h SER 133 N 0.74 0.91 -0.20 0.57 0.02 -0.74 -1.41 113.55 113.44 1xz7 h SER 133 Ca 0.24 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1xz7 h SER 133 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1xz7 h SER 133 CO -0.09 0.72 0.07 0.74 -1.14 0.00 0.00 176.83 177.14 1xz7 h THR 134 N 1.03 1.17 -0.35 -2.27 2.02 -0.68 -2.25 112.91 111.57 1xz7 h THR 134 Ca 0.26 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1xz7 h THR 134 Cb 0.01 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1xz7 h THR 134 CO -0.04 0.17 0.18 0.58 0.37 0.00 0.00 175.52 176.78 1xz7 h VAL 135 N 0.16 1.00 0.00 3.16 2.07 -0.93 -1.65 116.25 120.05 1xz7 h VAL 135 Ca 0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xz7 h VAL 135 Cb 0.19 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1xz7 h VAL 135 CO -0.00 0.07 0.00 -0.07 0.02 0.00 0.00 177.57 177.58 1xz7 h LEU 136 N 0.38 0.00 -1.03 2.57 3.38 -1.11 -1.86 115.31 117.64 1xz7 h LEU 136 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xz7 h LEU 136 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xz7 h LEU 136 CO -0.09 0.00 -0.30 0.41 0.09 0.00 0.00 178.44 178.55 1xz7 n THR 137 N -2.76 0.00 0.27 0.22 -1.04 -0.86 -4.50 114.28 105.61 1xz7 n THR 137 Ca -0.00 -0.35 0.16 0.00 -2.04 0.00 0.00 64.05 61.82 1xz7 n THR 137 Cb 0.20 1.23 0.70 0.00 -1.82 0.00 0.00 70.33 70.64 1xz7 n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1xz7 h SER 138 N 2.17 0.00 -0.33 8.00 4.64 -0.43 -2.89 113.55 124.71 1xz7 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xz7 h SER 138 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1xz7 h SER 138 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1xz7 n LYS 139 N -3.17 3.05 -0.13 4.77 5.02 -1.26 -4.62 118.16 121.82 1xz7 n LYS 139 Ca 0.00 -2.59 0.01 0.00 -2.02 0.00 0.00 58.31 53.71 1xz7 n LYS 139 Cb 0.30 -1.67 0.30 0.00 -0.02 0.00 0.00 35.03 33.94 1xz7 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xz7 h TYR 140 N 2.14 0.78 0.00 2.13 -1.99 -1.84 -3.46 116.97 114.73 1xz7 h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xz7 h TYR 140 Cb 1.22 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1xz7 h TYR 140 CO 0.45 0.52 0.00 2.89 -0.00 0.00 0.00 178.16 182.02