#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xzv n HIS 2 N 0.00 2.91 -3.55 3.52 -0.00 -1.26 -4.90 115.22 111.94 1xzv n HIS 2 Ca 0.00 -3.41 -0.37 0.00 -0.00 0.00 0.00 57.72 53.94 1xzv n HIS 2 Cb 0.00 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.99 29.64 1xzv n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1xzv s LEU 3 N -3.34 4.39 0.35 0.27 1.43 -1.26 -5.06 118.68 115.46 1xzv s LEU 3 Ca 0.44 0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 54.05 1xzv s LEU 3 Cb 0.37 -2.47 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 1xzv s LEU 3 CO -0.13 0.26 1.04 -0.89 0.23 0.00 0.00 176.35 176.86 1xzv s THR 4 N -0.57 3.74 0.34 5.49 2.01 -1.26 -4.80 115.64 120.60 1xzv s THR 4 Ca 0.21 1.47 0.15 0.00 0.31 0.00 0.00 61.69 63.83 1xzv s THR 4 Cb -0.15 -3.83 0.34 0.00 0.01 0.00 0.00 72.50 68.87 1xzv s THR 4 CO 0.09 0.14 1.64 1.55 -0.69 0.00 0.00 174.62 177.35 1xzv h PRO 5 N 3.01 0.22 -0.54 4.92 0.13 -1.98 0.83 132.00 138.59 1xzv h PRO 5 Ca -0.47 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1xzv h PRO 5 Cb 1.21 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1xzv h PRO 5 CO 0.64 0.14 -0.09 0.93 -0.23 0.00 0.00 178.00 179.40 1xzv h GLU 6 N 0.22 1.01 -0.03 0.86 3.07 -2.00 -1.17 114.58 116.55 1xzv h GLU 6 Ca 0.75 -0.36 -0.12 0.00 -0.50 0.00 0.00 59.36 59.12 1xzv h GLU 6 Cb 1.78 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.61 1xzv h GLU 6 CO -0.66 1.05 -0.56 0.93 -1.40 0.00 0.00 179.01 178.37 1xzv h GLU 7 N 0.88 0.08 -0.20 2.33 5.08 -0.02 -2.46 114.58 120.28 1xzv h GLU 7 Ca 0.14 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xzv h GLU 7 Cb 0.65 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1xzv h GLU 7 CO 0.04 0.62 0.00 0.87 -1.00 0.00 0.00 179.01 179.55 1xzv h LYS 8 N 0.06 0.34 -0.66 2.33 6.56 0.40 -2.81 116.57 122.80 1xzv h LYS 8 Ca -0.00 -0.11 -0.08 0.00 -1.06 0.00 0.00 60.65 59.40 1xzv h LYS 8 Cb 1.00 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.61 1xzv h LYS 8 CO 0.08 0.54 0.11 1.03 -2.06 0.00 0.00 179.45 179.14 1xzv h SER 9 N 0.11 1.04 -0.72 0.86 0.87 -1.06 -2.37 113.55 112.27 1xzv h SER 9 Ca 0.06 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1xzv h SER 9 Cb 0.38 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1xzv h SER 9 CO 0.01 1.04 0.39 0.00 -0.53 0.00 0.00 176.83 177.74 1xzv h ALA 10 N 1.04 0.93 0.55 6.23 0.00 -1.45 0.21 119.26 126.77 1xzv h ALA 10 Ca 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xzv h ALA 10 Cb 0.44 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xzv h ALA 10 CO 0.01 0.45 -0.26 0.28 0.00 0.00 0.00 179.25 179.73 1xzv h VAL 11 N 1.00 0.22 -0.53 0.00 2.07 -1.43 -2.93 116.25 114.65 1xzv h VAL 11 Ca 0.25 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.45 1xzv h VAL 11 Cb 0.05 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.03 1xzv h VAL 11 CO -0.04 0.04 -0.22 0.74 0.02 0.00 0.00 177.57 178.10 1xzv h THR 12 N -1.08 0.32 -0.15 2.57 2.02 -1.36 0.36 112.91 115.59 1xzv h THR 12 Ca -0.08 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 1xzv h THR 12 Cb 0.62 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1xzv h THR 12 CO 0.12 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.54 1xzv h ALA 13 N 1.27 0.91 -0.12 6.16 0.00 -1.06 -2.87 119.26 123.55 1xzv h ALA 13 Ca 0.25 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1xzv h ALA 13 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xzv h ALA 13 CO -0.60 0.65 -0.81 1.25 0.00 0.00 0.00 179.25 179.74 1xzv h LEU 14 N 0.31 0.92 -0.85 0.00 7.12 -1.15 -3.23 115.31 118.42 1xzv h LEU 14 Ca 0.02 -0.65 0.08 0.00 0.13 0.00 0.00 57.88 57.46 1xzv h LEU 14 Cb 0.95 -0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.74 1xzv h LEU 14 CO 0.08 1.43 0.50 -0.25 -0.13 0.00 0.00 178.44 180.07 1xzv h TRP 15 N 0.48 0.92 -0.08 1.25 2.91 -0.93 -1.12 115.95 119.37 1xzv h TRP 15 Ca -0.07 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.00 1xzv h TRP 15 Cb 1.45 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.81 1xzv h TRP 15 CO 0.09 0.41 0.18 0.78 -1.03 0.00 0.00 178.44 178.87 1xzv h GLY 16 N 0.87 0.00 -0.66 2.65 0.00 -1.52 0.25 103.07 104.65 1xzv h GLY 16 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1xzv h GLY 16 CO -0.22 0.00 -0.06 0.28 0.00 0.00 0.00 176.54 176.54 1xzv n LYS 17 N -3.35 1.64 -3.15 4.80 5.02 -0.43 -4.94 118.16 117.75 1xzv n LYS 17 Ca -0.01 -1.08 -0.39 0.00 -2.02 0.00 0.00 58.31 54.82 1xzv n LYS 17 Cb 0.27 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1xzv n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xzv s VAL 18 N -2.10 4.98 -0.64 -0.18 1.01 0.87 -5.02 120.40 119.32 1xzv s VAL 18 Ca 0.33 1.30 -0.21 0.00 0.00 0.00 0.00 61.98 63.40 1xzv s VAL 18 Cb 0.20 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1xzv s VAL 18 CO 0.37 0.35 0.86 0.21 0.00 0.00 0.00 175.10 176.89 1xzv s ASN 19 N 0.24 6.18 0.38 3.32 3.84 -1.26 -4.91 114.94 122.73 1xzv s ASN 19 Ca 0.33 -1.19 0.08 0.00 0.21 0.00 0.00 52.86 52.29 1xzv s ASN 19 Cb -0.18 -2.37 0.82 0.00 -0.55 0.00 0.00 41.25 38.97 1xzv s ASN 19 CO 0.17 -1.30 1.95 0.58 -2.79 0.00 0.00 177.10 175.70 1xzv h VAL 20 N 5.95 0.96 0.44 -5.21 2.07 -1.95 -1.95 116.25 116.57 1xzv h VAL 20 Ca -0.28 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1xzv h VAL 20 Cb 1.08 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1xzv h VAL 20 CO 1.15 0.12 -0.41 0.44 0.02 0.00 0.00 177.57 178.89 1xzv h ASP 21 N 0.66 -1.09 -0.04 0.57 5.19 -1.92 -0.16 116.42 119.64 1xzv h ASP 21 Ca 0.33 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1xzv h ASP 21 Cb 0.41 0.36 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1xzv h ASP 21 CO -0.11 -0.57 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.08 1xzv h GLU 22 N -0.86 0.08 -0.66 3.56 5.08 -1.93 -2.79 114.58 117.07 1xzv h GLU 22 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xzv h GLU 22 Cb 0.75 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1xzv h GLU 22 CO -0.04 0.50 0.36 0.28 -1.00 0.00 0.00 179.01 179.10 1xzv h VAL 23 N -0.34 1.21 -0.60 3.13 2.07 -1.37 -1.22 116.25 119.14 1xzv h VAL 23 Ca 0.01 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1xzv h VAL 23 Cb 0.48 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1xzv h VAL 23 CO 0.01 0.23 0.15 1.23 0.02 0.00 0.00 177.57 179.20 1xzv h GLY 24 N 0.90 1.02 1.30 2.17 0.00 -1.11 0.66 103.07 108.01 1xzv h GLY 24 Ca 0.23 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1xzv h GLY 24 CO -0.04 0.60 -0.30 -1.33 0.00 0.00 0.00 176.54 175.47 1xzv h GLY 25 N 0.86 0.85 0.97 4.60 0.00 -1.34 -2.62 103.07 106.40 1xzv h GLY 25 Ca 0.19 -0.79 -0.17 0.00 0.00 0.00 0.00 47.33 46.56 1xzv h GLY 25 CO 0.00 0.72 -0.59 -2.09 0.00 0.00 0.00 176.54 174.58 1xzv h GLU 26 N 0.67 0.61 0.15 4.80 4.81 -1.05 -1.84 114.58 122.73 1xzv h GLU 26 Ca 0.08 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xzv h GLU 26 Cb 0.83 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1xzv h GLU 26 CO 0.07 1.12 -0.15 0.00 -0.73 0.00 0.00 179.01 179.32 1xzv h ALA 27 N 0.50 -0.29 -0.80 2.92 0.00 -0.91 0.99 119.26 121.66 1xzv h ALA 27 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xzv h ALA 27 Cb 1.23 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1xzv h ALA 27 CO 0.12 -0.69 0.31 1.25 0.00 0.00 0.00 179.25 180.25 1xzv h LEU 28 N -0.33 1.11 -0.19 0.00 5.85 -1.56 -1.28 115.31 118.92 1xzv h LEU 28 Ca 0.00 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1xzv h LEU 28 Cb 0.31 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xzv h LEU 28 CO -0.04 0.99 -0.00 1.23 -0.34 0.00 0.00 178.44 180.28 1xzv h GLY 29 N 1.17 0.36 1.24 3.75 0.00 -1.19 -2.59 103.07 105.81 1xzv h GLY 29 Ca 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1xzv h GLY 29 CO -0.02 0.25 0.39 3.21 0.00 0.00 0.00 176.54 180.37 1xzv h ARG 30 N 0.09 0.99 -0.28 4.80 3.08 -0.65 -2.07 114.38 120.35 1xzv h ARG 30 Ca 0.05 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xzv h ARG 30 Cb 0.40 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1xzv h ARG 30 CO 0.01 0.73 0.11 1.25 -1.07 0.00 0.00 179.97 181.00 1xzv h LEU 31 N 1.00 0.14 -1.91 3.04 5.85 -1.06 0.85 115.31 123.22 1xzv h LEU 31 Ca 0.25 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1xzv h LEU 31 Cb 0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1xzv h LEU 31 CO -0.04 0.12 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.99 1xzv h LEU 32 N 0.24 0.00 0.00 2.25 3.38 -1.02 -2.17 115.31 118.00 1xzv h LEU 32 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 1xzv h LEU 32 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1xzv h LEU 32 CO -0.11 0.12 -1.28 0.58 0.09 0.00 0.00 178.44 177.84 1xzv h VAL 33 N 0.00 0.90 -0.28 1.22 2.07 -0.81 -3.32 116.25 116.04 1xzv h VAL 33 Ca -0.00 -2.18 -0.19 0.00 0.82 0.00 0.00 66.70 65.16 1xzv h VAL 33 Cb 0.33 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1xzv h VAL 33 CO 0.02 0.31 -0.56 0.58 0.02 0.00 0.00 177.57 177.94 1xzv h VAL 34 N -1.00 1.28 -2.55 2.57 2.07 -0.84 -3.35 116.25 114.42 1xzv h VAL 34 Ca -0.35 -1.74 -0.61 0.00 0.82 0.00 0.00 66.70 64.82 1xzv h VAL 34 Cb 1.31 1.67 -0.42 0.00 -1.52 0.00 0.00 31.29 32.33 1xzv h VAL 34 CO -0.21 0.57 -0.59 -1.22 0.02 0.00 0.00 177.57 176.14 1xzv n TYR 35 N -4.02 3.46 -0.43 1.57 4.01 -0.82 -4.98 117.16 115.95 1xzv n TYR 35 Ca -0.05 -4.22 0.37 0.00 -0.16 0.00 0.00 57.90 53.85 1xzv n TYR 35 Cb 0.63 -0.58 0.70 0.00 -0.31 0.00 0.00 39.34 39.78 1xzv n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xzv h PRO 36 N 4.67 0.09 0.00 -0.72 0.13 -1.71 -0.20 132.00 134.27 1xzv h PRO 36 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1xzv h PRO 36 Cb 0.70 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1xzv h PRO 36 CO 0.79 0.06 0.00 0.11 -0.23 0.00 0.00 178.00 178.73 1xzv h TRP 37 N 0.10 0.00 0.00 1.56 0.09 -1.91 -2.30 115.95 113.49 1xzv h TRP 37 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.69 1xzv h TRP 37 Cb 2.50 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.74 1xzv h TRP 37 CO -0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1xzv h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.34 -2.75 112.91 110.29 1xzv h THR 38 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1xzv h THR 38 Cb 0.25 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1xzv h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1xzv n GLN 39 N -2.66 0.03 0.33 4.72 6.02 -0.86 -2.88 117.38 122.08 1xzv n GLN 39 Ca 0.01 0.31 0.22 0.00 -0.01 0.00 0.00 57.00 57.53 1xzv n GLN 39 Cb 0.23 -1.50 1.16 0.00 1.02 0.00 0.00 30.24 31.14 1xzv n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1xzv h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.72 -2.40 114.38 109.28 1xzv h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xzv h ARG 40 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1xzv h ARG 40 CO 0.00 0.00 -0.74 1.19 0.10 0.00 0.00 179.97 180.52 1xzv n PHE 41 N -3.09 0.00 -2.31 4.08 3.01 -1.14 -4.52 117.46 113.49 1xzv n PHE 41 Ca -0.03 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.16 1xzv n PHE 41 Cb 0.10 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.54 1xzv n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xzv n PHE 42 N -1.04 3.22 -0.05 1.38 3.01 -0.90 -4.81 117.46 118.27 1xzv n PHE 42 Ca 0.06 -2.85 -0.11 0.00 1.01 0.00 0.00 57.45 55.56 1xzv n PHE 42 Cb 0.37 -0.24 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 1xzv n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xzv h GLU 43 N 2.49 0.74 0.00 -1.08 4.39 -1.80 -3.09 114.58 116.23 1xzv h GLU 43 Ca 0.34 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xzv h GLU 43 Cb 1.02 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1xzv h GLU 43 CO 0.88 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 178.65 1xzv n SER 44 N -4.01 0.00 0.08 1.42 3.41 -1.26 -3.13 113.62 110.13 1xzv n SER 44 Ca -0.03 0.02 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1xzv n SER 44 Cb 0.58 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1xzv n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1xzv h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.92 -3.50 116.94 118.90 1xzv h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1xzv h PHE 45 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.10 1xzv h PHE 45 CO 0.00 0.92 0.00 0.41 -0.18 0.00 0.00 178.31 179.46 1xzv n GLY 46 N 1.14 0.14 3.57 -1.45 0.00 -1.18 -4.81 105.19 102.59 1xzv n GLY 46 Ca -0.00 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1xzv n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xzv s ASP 47 N -4.00 6.54 -0.06 1.61 3.68 -1.26 -4.85 116.67 118.33 1xzv s ASP 47 Ca 0.00 0.23 0.09 0.00 2.13 0.00 0.00 52.55 54.99 1xzv s ASP 47 Cb 0.00 -2.44 0.13 0.00 -1.45 0.00 0.00 42.92 39.17 1xzv s ASP 47 CO 0.00 -0.95 1.02 0.18 0.13 0.00 0.00 175.17 175.55 1xzv n LEU 48 N 6.93 1.51 0.27 -1.34 4.77 -1.26 -4.09 117.00 123.79 1xzv n LEU 48 Ca 0.06 -2.08 0.13 0.00 -0.03 0.00 0.00 56.01 54.09 1xzv n LEU 48 Cb 0.48 -0.20 0.79 0.00 -2.33 0.00 0.00 43.42 42.16 1xzv n LEU 48 CO 0.61 0.49 1.03 0.28 -1.33 0.00 0.00 177.39 178.47 1xzv h SER 49 N 0.00 0.00 -5.17 -1.43 0.02 -1.90 -3.44 113.55 101.62 1xzv h SER 49 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1xzv h SER 49 Cb 0.99 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.37 1xzv h SER 49 CO 0.00 0.07 -0.60 0.42 -1.14 0.00 0.00 176.83 175.58 1xzv s THR 50 N -4.43 0.18 0.17 -2.27 -4.23 -1.26 -5.01 115.64 98.79 1xzv s THR 50 Ca -0.04 -1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 58.82 1xzv s THR 50 Cb 0.14 -1.24 0.10 0.00 1.34 0.00 0.00 72.50 72.84 1xzv s THR 50 CO 0.58 -0.81 1.65 -0.65 -0.54 0.00 0.00 174.62 174.85 1xzv h PRO 51 N 3.33 -0.06 -0.58 3.99 0.11 -1.98 0.39 132.00 137.20 1xzv h PRO 51 Ca -0.34 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.87 1xzv h PRO 51 Cb 1.17 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 1xzv h PRO 51 CO 0.59 -0.04 0.20 -0.44 -0.21 0.00 0.00 178.00 178.09 1xzv h ASP 52 N -0.07 0.18 0.29 -2.05 3.32 -1.97 0.25 116.42 116.36 1xzv h ASP 52 Ca 0.20 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1xzv h ASP 52 Cb 0.37 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xzv h ASP 52 CO -0.45 0.11 -0.37 0.00 -1.72 0.00 0.00 179.24 176.82 1xzv h ALA 53 N 1.41 1.28 0.07 3.45 0.00 -1.35 -1.61 119.26 122.50 1xzv h ALA 53 Ca 0.29 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xzv h ALA 53 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xzv h ALA 53 CO -0.31 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 179.71 1xzv h VAL 54 N 0.11 0.72 -0.80 0.00 2.07 0.11 -2.46 116.25 115.99 1xzv h VAL 54 Ca 0.01 -1.39 0.17 0.00 0.82 0.00 0.00 66.70 66.30 1xzv h VAL 54 Cb 0.70 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1xzv h VAL 54 CO 0.05 0.23 0.53 0.24 0.02 0.00 0.00 177.57 178.64 1xzv h MET 55 N -0.98 0.39 0.00 1.57 2.07 -0.61 -0.62 114.93 116.75 1xzv h MET 55 Ca -0.01 -0.02 -0.22 0.00 -2.07 0.00 0.00 59.70 57.38 1xzv h MET 55 Cb 0.44 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.05 1xzv h MET 55 CO 0.01 0.26 -1.12 0.78 1.07 0.00 0.00 176.91 177.91 1xzv h GLY 56 N 0.40 0.00 -5.85 8.32 0.00 -1.39 -3.46 103.07 101.09 1xzv h GLY 56 Ca 0.40 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.16 1xzv h GLY 56 CO -0.13 0.00 1.25 -2.01 0.00 0.00 0.00 176.54 175.65 1xzv n ASN 57 N -3.28 3.70 0.24 0.19 2.85 -0.24 -4.83 115.26 113.89 1xzv n ASN 57 Ca -0.03 0.77 0.13 0.00 -0.11 0.00 0.00 54.58 55.34 1xzv n ASN 57 Cb 0.95 -1.47 0.54 0.00 1.24 0.00 0.00 39.78 41.04 1xzv n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xzv h PRO 58 N 11.09 0.00 -0.07 1.20 0.13 -1.89 -1.75 132.00 140.70 1xzv h PRO 58 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1xzv h PRO 58 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1xzv h PRO 58 CO 0.95 0.13 -0.58 0.87 -0.23 0.00 0.00 178.00 179.14 1xzv h LYS 59 N 0.00 0.23 0.00 0.86 1.57 -1.88 -1.72 116.57 115.63 1xzv h LYS 59 Ca -0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xzv h LYS 59 Cb 0.65 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xzv h LYS 59 CO 0.02 0.74 -0.00 0.28 -0.57 0.00 0.00 179.45 179.92 1xzv h VAL 60 N 0.17 1.46 -0.70 0.50 2.07 -1.74 -1.93 116.25 116.08 1xzv h VAL 60 Ca -0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1xzv h VAL 60 Cb 1.07 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 1xzv h VAL 60 CO 0.09 0.36 0.44 0.11 0.02 0.00 0.00 177.57 178.58 1xzv h LYS 61 N -0.59 0.93 -0.04 1.57 6.56 -1.31 -0.72 116.57 122.97 1xzv h LYS 61 Ca -0.00 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.36 1xzv h LYS 61 Cb 0.59 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1xzv h LYS 61 CO 0.00 0.65 -0.67 0.00 -2.06 0.00 0.00 179.45 177.36 1xzv h ALA 62 N 1.23 0.78 -0.27 3.86 0.00 -1.39 -2.30 119.26 121.17 1xzv h ALA 62 Ca 0.25 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1xzv h ALA 62 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xzv h ALA 62 CO -0.05 0.79 -0.48 1.25 0.00 0.00 0.00 179.25 180.76 1xzv h HIS 63 N 0.13 0.91 -0.76 0.00 -0.00 -0.96 -2.88 115.15 111.59 1xzv h HIS 63 Ca -0.01 -0.30 0.04 0.00 -0.00 0.00 0.00 60.37 60.10 1xzv h HIS 63 Cb 1.21 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 28.39 1xzv h HIS 63 CO 0.02 1.07 0.48 0.78 -0.00 0.00 0.00 177.93 180.28 1xzv h GLY 64 N 0.90 1.11 2.00 5.26 0.00 -0.95 -0.63 103.07 110.75 1xzv h GLY 64 Ca 0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1xzv h GLY 64 CO 0.10 0.29 -0.54 1.70 0.00 0.00 0.00 176.54 178.09 1xzv h LYS 65 N 0.91 0.00 -0.10 4.80 3.64 -1.39 -0.89 116.57 123.54 1xzv h LYS 65 Ca 0.31 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.47 1xzv h LYS 65 Cb 0.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1xzv h LYS 65 CO -0.13 0.54 -0.79 -0.22 -2.27 0.00 0.00 179.45 176.58 1xzv h LYS 66 N 0.00 0.72 0.12 1.90 3.64 -1.19 -1.27 116.57 120.49 1xzv h LYS 66 Ca -0.01 -0.63 -0.01 0.00 -1.27 0.00 0.00 60.65 58.74 1xzv h LYS 66 Cb 0.96 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1xzv h LYS 66 CO 0.07 1.24 -0.06 0.28 -2.27 0.00 0.00 179.45 178.71 1xzv h VAL 67 N 0.41 1.02 0.00 2.00 2.07 -1.05 -2.37 116.25 118.33 1xzv h VAL 67 Ca -0.07 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1xzv h VAL 67 Cb 1.43 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1xzv h VAL 67 CO 0.16 0.13 -0.24 -0.07 0.02 0.00 0.00 177.57 177.58 1xzv h LEU 68 N -0.42 0.00 0.78 2.57 -0.00 -1.23 -0.72 115.31 116.28 1xzv h LEU 68 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1xzv h LEU 68 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1xzv h LEU 68 CO 0.03 0.24 -0.41 1.23 -0.00 0.00 0.00 178.44 179.53 1xzv h GLY 69 N 0.92 -1.15 1.31 0.83 0.00 -1.06 0.66 103.07 104.58 1xzv h GLY 69 Ca -0.00 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1xzv h GLY 69 CO 0.03 -0.41 0.40 0.00 0.00 0.00 0.00 176.54 176.55 1xzv h ALA 70 N -0.89 1.43 0.00 3.60 0.00 -1.13 -0.79 119.26 121.47 1xzv h ALA 70 Ca -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xzv h ALA 70 Cb 0.85 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xzv h ALA 70 CO 0.15 0.49 -0.00 0.35 0.00 0.00 0.00 179.25 180.24 1xzv h PHE 71 N 0.93 -0.00 -0.62 0.00 3.57 -0.76 -2.39 116.94 117.67 1xzv h PHE 71 Ca 0.24 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.87 1xzv h PHE 71 Cb -0.02 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.62 1xzv h PHE 71 CO 0.00 0.13 0.08 1.03 -2.23 0.00 0.00 178.31 177.32 1xzv h SER 72 N -0.14 -0.12 0.31 0.41 0.87 0.11 0.94 113.55 115.94 1xzv h SER 72 Ca -0.00 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1xzv h SER 72 Cb 0.14 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1xzv h SER 72 CO 0.00 -0.06 -0.17 0.44 -0.53 0.00 0.00 176.83 176.52 1xzv h ASP 73 N 0.19 0.00 0.66 6.23 3.32 -1.01 -2.84 116.42 122.97 1xzv h ASP 73 Ca 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 1xzv h ASP 73 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1xzv h ASP 73 CO -0.47 0.17 -0.39 1.23 -1.72 0.00 0.00 179.24 178.06 1xzv h GLY 74 N 0.79 0.00 1.85 2.75 0.00 -0.29 -3.04 103.07 105.14 1xzv h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xzv h GLY 74 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1xzv n LEU 75 N -3.70 0.00 -0.03 3.11 4.77 -1.07 -1.53 117.00 118.55 1xzv n LEU 75 Ca -0.01 0.43 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1xzv n LEU 75 Cb 0.48 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1xzv n LEU 75 CO 0.37 -0.22 0.22 0.00 -1.33 0.00 0.00 177.39 176.43 1xzv n ALA 76 N -1.43 4.10 -2.56 -1.18 0.00 -1.15 -4.22 120.51 114.08 1xzv n ALA 76 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1xzv n ALA 76 Cb 0.15 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1xzv n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xzv n HIS 77 N -1.39 1.83 0.14 0.00 8.25 -0.58 -4.89 115.22 118.58 1xzv n HIS 77 Ca 0.05 -2.35 0.09 0.00 -0.26 0.00 0.00 57.72 55.25 1xzv n HIS 77 Cb 0.34 -0.27 0.48 0.00 1.12 0.00 0.00 29.99 31.66 1xzv n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xzv n LEU 78 N -0.53 0.46 -0.82 2.41 7.94 -1.19 -0.35 117.00 124.91 1xzv n LEU 78 Ca 0.20 0.71 0.12 0.00 -1.11 0.00 0.00 56.01 55.93 1xzv n LEU 78 Cb 0.84 -0.77 0.15 0.00 0.53 0.00 0.00 43.42 44.17 1xzv n LEU 78 CO 0.21 -0.86 0.62 0.47 -1.11 0.00 0.00 177.39 176.73 1xzv n ASP 79 N -2.12 2.62 -2.73 1.96 10.43 -1.26 0.15 116.55 125.61 1xzv n ASP 79 Ca -0.01 -1.84 -0.08 0.00 2.57 0.00 0.00 54.79 55.43 1xzv n ASP 79 Cb 0.03 0.06 0.08 0.00 1.84 0.00 0.00 41.12 43.13 1xzv n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xzv n ASN 80 N 0.97 -2.38 0.05 -2.24 5.15 0.52 -4.94 115.26 112.38 1xzv n ASN 80 Ca 0.14 -3.31 -0.02 0.00 -0.60 0.00 0.00 54.58 50.79 1xzv n ASN 80 Cb 0.54 1.77 0.25 0.00 -0.53 0.00 0.00 39.78 41.81 1xzv n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xzv h LEU 81 N 3.27 0.39 0.32 1.20 3.38 -1.70 -1.51 115.31 120.66 1xzv h LEU 81 Ca -0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xzv h LEU 81 Cb 1.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1xzv h LEU 81 CO 0.17 0.63 -0.37 0.50 0.09 0.00 0.00 178.44 179.46 1xzv h LYS 82 N 0.35 -0.70 0.00 1.13 1.63 -1.90 0.14 116.57 117.22 1xzv h LYS 82 Ca 0.06 0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 1xzv h LYS 82 Cb 0.61 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1xzv h LYS 82 CO 0.04 -0.47 -0.38 0.78 -3.45 0.00 0.00 179.45 175.97 1xzv h GLY 83 N -0.73 0.00 1.50 5.01 0.00 -1.94 -2.25 103.07 104.65 1xzv h GLY 83 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1xzv h GLY 83 CO -0.09 0.00 -0.46 -0.84 0.00 0.00 0.00 176.54 175.15 1xzv h THR 84 N 0.00 1.31 -0.42 4.70 2.02 -0.66 -3.29 112.91 116.56 1xzv h THR 84 Ca -0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1xzv h THR 84 Cb 0.88 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1xzv h THR 84 CO 0.05 0.52 0.00 0.49 0.37 0.00 0.00 175.52 176.95 1xzv n PHE 85 N -4.00 1.05 -0.02 3.16 3.01 0.43 -4.75 117.46 116.35 1xzv n PHE 85 Ca -0.02 -0.68 -0.09 0.00 1.01 0.00 0.00 57.45 57.67 1xzv n PHE 85 Cb 0.55 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.76 1xzv n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xzv h ALA 86 N 2.69 0.01 -0.29 4.37 0.00 -1.49 0.27 119.26 124.82 1xzv h ALA 86 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xzv h ALA 86 Cb 1.29 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1xzv h ALA 86 CO 0.18 -0.56 -0.28 1.15 0.00 0.00 0.00 179.25 179.74 1xzv h THR 87 N -0.12 1.28 -0.28 0.00 2.02 -1.87 -1.26 112.91 112.68 1xzv h THR 87 Ca 0.10 -1.37 -0.13 0.00 0.77 0.00 0.00 66.41 65.77 1xzv h THR 87 Cb 0.27 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1xzv h THR 87 CO -0.24 0.44 -0.37 0.25 0.37 0.00 0.00 175.52 175.97 1xzv h LEU 88 N 0.51 0.68 -0.32 2.58 5.85 -1.83 -1.85 115.31 120.94 1xzv h LEU 88 Ca 0.07 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1xzv h LEU 88 Cb 0.75 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1xzv h LEU 88 CO 0.06 0.99 0.16 -1.28 -0.34 0.00 0.00 178.44 178.02 1xzv h SER 89 N 0.54 0.42 -0.56 1.25 0.87 -0.10 -1.76 113.55 114.21 1xzv h SER 89 Ca 0.05 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.38 1xzv h SER 89 Cb 0.88 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1xzv h SER 89 CO 0.08 0.43 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.42 1xzv h GLU 90 N 0.39 1.04 -0.51 2.24 5.08 -1.13 -2.80 114.58 118.88 1xzv h GLU 90 Ca 0.11 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1xzv h GLU 90 Cb 0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1xzv h GLU 90 CO -0.01 1.05 0.28 1.25 -1.00 0.00 0.00 179.01 180.57 1xzv h LEU 91 N 0.93 0.65 -1.10 1.33 5.85 -1.17 0.41 115.31 122.21 1xzv h LEU 91 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1xzv h LEU 91 Cb 0.62 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xzv h LEU 91 CO 0.04 0.56 -0.06 0.45 -0.34 0.00 0.00 178.44 179.09 1xzv h HIS 92 N 0.69 0.60 0.01 1.25 3.86 -1.32 0.25 115.15 120.49 1xzv h HIS 92 Ca 0.18 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1xzv h HIS 92 Cb 0.06 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1xzv h HIS 92 CO -0.01 0.62 -0.01 0.00 0.86 0.00 0.00 177.93 179.39 1xzv h ASP 94 N -0.07 0.06 0.00 0.00 3.32 -1.02 -2.90 116.42 115.81 1xzv h ASP 94 Ca -0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.85 1xzv h ASP 94 Cb 0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1xzv h ASP 94 CO 0.00 0.50 -1.62 0.29 -1.72 0.00 0.00 179.24 176.69 1xzv n LYS 95 N -4.00 0.26 0.08 3.56 4.01 0.48 -4.78 118.16 117.77 1xzv n LYS 95 Ca -0.02 0.08 0.07 0.00 -0.51 0.00 0.00 58.31 57.93 1xzv n LYS 95 Cb 0.48 -1.11 -0.02 0.00 -0.51 0.00 0.00 35.03 33.87 1xzv n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1xzv h LEU 96 N -0.14 0.00 -1.48 -0.35 3.38 -0.68 -3.49 115.31 112.54 1xzv h LEU 96 Ca -0.26 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.32 1xzv h LEU 96 Cb 1.33 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.17 1xzv h LEU 96 CO -0.09 0.24 -0.78 1.41 0.09 0.00 0.00 178.44 179.32 1xzv n HIS 97 N -2.81 -2.20 -3.38 1.13 8.25 0.24 -4.96 115.22 111.49 1xzv n HIS 97 Ca -0.03 0.91 -0.38 0.00 -0.26 0.00 0.00 57.72 57.95 1xzv n HIS 97 Cb 0.67 -4.65 -0.08 0.00 1.12 0.00 0.00 29.99 27.05 1xzv n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xzv s VAL 98 N -3.47 5.19 0.10 1.59 1.01 -0.24 -5.03 120.40 119.55 1xzv s VAL 98 Ca 0.19 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 1xzv s VAL 98 Cb -0.09 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 1xzv s VAL 98 CO 0.78 0.24 1.37 -0.62 0.00 0.00 0.00 175.10 176.87 1xzv s ASP 99 N 1.07 6.86 0.63 3.32 3.68 -1.26 -4.73 116.67 126.24 1xzv s ASP 99 Ca 0.19 2.27 0.33 0.00 2.13 0.00 0.00 52.55 57.47 1xzv s ASP 99 Cb -0.15 -2.58 1.82 0.00 -1.45 0.00 0.00 42.92 40.56 1xzv s ASP 99 CO 0.08 -0.64 2.02 -0.65 0.13 0.00 0.00 175.17 176.11 1xzv h PRO 100 N 6.93 0.00 -0.04 4.34 0.11 -1.97 -1.33 132.00 140.04 1xzv h PRO 100 Ca -0.42 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1xzv h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xzv h PRO 100 CO 0.86 0.00 0.03 1.49 -0.21 0.00 0.00 178.00 180.17 1xzv h GLU 101 N 0.00 0.00 -0.58 1.05 4.57 -1.98 -0.77 114.58 116.87 1xzv h GLU 101 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1xzv h GLU 101 Cb 0.41 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1xzv h GLU 101 CO 0.00 0.00 0.38 -0.91 -1.18 0.00 0.00 179.01 177.30 1xzv h ASN 102 N 0.00 0.63 -0.57 1.04 4.21 -1.62 -0.84 115.58 118.43 1xzv h ASN 102 Ca 0.02 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 1xzv h ASN 102 Cb 0.08 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 1xzv h ASN 102 CO -0.00 0.45 0.23 -0.26 -1.29 0.00 0.00 177.43 176.55 1xzv h PHE 103 N 0.74 0.91 -0.16 1.19 0.04 -1.31 -0.83 116.94 117.52 1xzv h PHE 103 Ca 0.22 -0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.82 1xzv h PHE 103 Cb -0.02 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.86 1xzv h PHE 103 CO -0.00 0.71 -0.33 0.00 -0.60 0.00 0.00 178.31 178.09 1xzv h ARG 104 N 0.88 0.50 -0.27 1.51 3.08 -1.27 -2.25 114.38 116.57 1xzv h ARG 104 Ca 0.21 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1xzv h ARG 104 Cb 0.20 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1xzv h ARG 104 CO -0.02 0.94 0.13 -0.07 -1.07 0.00 0.00 179.97 179.88 1xzv h LEU 105 N 0.13 0.19 -0.56 3.04 3.38 -0.87 -1.84 115.31 118.79 1xzv h LEU 105 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xzv h LEU 105 Cb 0.93 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1xzv h LEU 105 CO 0.07 0.15 0.35 0.25 0.09 0.00 0.00 178.44 179.35 1xzv h LEU 106 N 0.27 0.66 -0.43 1.67 5.85 -1.17 -0.28 115.31 121.88 1xzv h LEU 106 Ca 0.11 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1xzv h LEU 106 Cb 0.04 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 1xzv h LEU 106 CO -0.08 0.51 -0.14 1.23 -0.34 0.00 0.00 178.44 179.61 1xzv h GLY 107 N 0.75 0.23 0.96 3.75 0.00 -1.09 0.90 103.07 108.58 1xzv h GLY 107 Ca 0.20 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 1xzv h GLY 107 CO -0.04 -0.18 0.05 3.43 0.00 0.00 0.00 176.54 179.80 1xzv h ASN 108 N -0.05 0.72 -0.35 0.19 2.35 -0.83 -0.92 115.58 116.70 1xzv h ASN 108 Ca 0.21 -0.28 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1xzv h ASN 108 Cb 0.37 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1xzv h ASN 108 CO -0.47 0.82 0.11 0.58 -1.65 0.00 0.00 177.43 176.82 1xzv h VAL 109 N 0.60 0.88 -0.47 2.81 2.07 0.52 -1.68 116.25 121.00 1xzv h VAL 109 Ca 0.13 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.66 1xzv h VAL 109 Cb 0.42 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 1xzv h VAL 109 CO 0.01 0.05 -0.13 0.25 0.02 0.00 0.00 177.57 177.77 1xzv h LEU 110 N 0.25 -0.47 -1.30 2.57 5.85 0.12 0.15 115.31 122.48 1xzv h LEU 110 Ca 0.16 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1xzv h LEU 110 Cb 0.15 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1xzv h LEU 110 CO -0.17 -0.16 0.48 0.58 -0.34 0.00 0.00 178.44 178.82 1xzv h VAL 111 N -0.01 1.15 -0.41 1.05 2.07 -0.69 -1.03 116.25 118.38 1xzv h VAL 111 Ca 0.23 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1xzv h VAL 111 Cb 0.36 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1xzv h VAL 111 CO -0.49 0.17 -0.26 0.00 0.02 0.00 0.00 177.57 177.01 1xzv h VAL 113 N 0.74 1.21 -0.98 0.00 2.07 -0.06 -1.20 116.25 118.04 1xzv h VAL 113 Ca 0.09 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xzv h VAL 113 Cb 0.81 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1xzv h VAL 113 CO 0.07 0.25 0.65 -0.07 0.02 0.00 0.00 177.57 178.48 1xzv h LEU 114 N 0.56 1.12 -0.45 2.57 3.38 -1.14 -0.64 115.31 120.70 1xzv h LEU 114 Ca 0.14 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1xzv h LEU 114 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xzv h LEU 114 CO -0.01 0.81 -0.03 0.00 0.09 0.00 0.00 178.44 179.30 1xzv h ALA 115 N 1.36 0.61 -0.46 1.53 0.00 -1.22 -0.40 119.26 120.69 1xzv h ALA 115 Ca 0.36 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1xzv h ALA 115 Cb -0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1xzv h ALA 115 CO -0.08 0.43 0.17 1.25 0.00 0.00 0.00 179.25 181.02 1xzv h HIS 116 N 0.66 0.30 -0.01 0.00 6.17 -0.64 -1.52 115.15 120.10 1xzv h HIS 116 Ca 0.12 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1xzv h HIS 116 Cb 0.54 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1xzv h HIS 116 CO 0.04 0.11 -0.04 0.45 0.71 0.00 0.00 177.93 179.20 1xzv h HIS 117 N 0.34 0.06 -0.16 5.26 -0.00 -1.04 -3.37 115.15 116.24 1xzv h HIS 117 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1xzv h HIS 117 Cb 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1xzv h HIS 117 CO -0.15 0.67 0.00 1.19 -0.00 0.00 0.00 177.93 179.63 1xzv n PHE 118 N -4.74 0.18 0.00 2.45 3.01 -0.17 -5.02 117.46 113.17 1xzv n PHE 118 Ca -0.09 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1xzv n PHE 118 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1xzv n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xzv n GLY 119 N 1.36 1.32 0.36 1.37 0.00 -0.58 -0.15 105.19 108.88 1xzv n GLY 119 Ca 0.17 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.51 1xzv n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xzv h LYS 120 N 0.00 -0.01 -0.44 1.61 2.10 -1.95 -1.28 116.57 116.60 1xzv h LYS 120 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1xzv h LYS 120 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1xzv h LYS 120 CO 0.00 -0.01 0.31 1.49 -2.00 0.00 0.00 179.45 179.25 1xzv h GLU 121 N -0.01 0.02 -3.66 0.07 4.81 -0.95 -3.29 114.58 111.57 1xzv h GLU 121 Ca 0.40 -0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.89 1xzv h GLU 121 Cb 0.65 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 1xzv h GLU 121 CO -0.97 0.01 2.41 0.34 -0.73 0.00 0.00 179.01 180.07 1xzv n PHE 122 N -4.41 3.12 -1.43 0.92 7.35 -0.48 -4.91 117.46 117.62 1xzv n PHE 122 Ca 0.07 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.61 1xzv n PHE 122 Cb 0.50 -2.15 0.09 0.00 0.35 0.00 0.00 39.48 38.27 1xzv n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xzv s THR 123 N 1.31 3.23 0.22 -2.13 -4.23 -1.24 -4.71 115.64 108.09 1xzv s THR 123 Ca 0.42 0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 1xzv s THR 123 Cb 0.11 -3.04 0.20 0.00 1.34 0.00 0.00 72.50 71.11 1xzv s THR 123 CO -0.03 -0.52 1.68 -0.65 -0.54 0.00 0.00 174.62 174.56 1xzv h PRO 124 N -1.12 0.20 -0.27 3.99 0.11 -1.93 0.66 132.00 133.64 1xzv h PRO 124 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1xzv h PRO 124 Cb 1.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xzv h PRO 124 CO 0.56 0.13 -0.11 -1.35 -0.21 0.00 0.00 178.00 177.02 1xzv h PRO 125 N 0.21 0.44 -0.21 1.05 0.11 -1.99 -0.06 132.00 131.55 1xzv h PRO 125 Ca 0.35 -0.12 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 1xzv h PRO 125 Cb 0.57 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1xzv h PRO 125 CO -0.49 0.56 -0.56 0.28 -0.21 0.00 0.00 178.00 177.58 1xzv h VAL 126 N 0.41 1.30 -0.58 3.15 2.07 -1.01 -2.86 116.25 118.74 1xzv h VAL 126 Ca 0.08 -1.77 0.01 0.00 0.82 0.00 0.00 66.70 65.83 1xzv h VAL 126 Cb 0.45 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1xzv h VAL 126 CO 0.03 0.56 0.38 -0.61 0.02 0.00 0.00 177.57 177.95 1xzv h GLN 127 N 0.48 0.76 -0.68 1.57 4.15 0.55 -1.72 115.11 120.22 1xzv h GLN 127 Ca -0.01 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.49 1xzv h GLN 127 Cb 1.18 -0.17 -0.09 0.00 0.21 0.00 0.00 27.48 28.61 1xzv h GLN 127 CO 0.12 0.50 0.23 0.00 -1.93 0.00 0.00 178.83 177.75 1xzv h ALA 128 N 1.21 0.90 -0.47 3.38 0.00 -0.97 0.16 119.26 123.46 1xzv h ALA 128 Ca 0.21 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1xzv h ALA 128 Cb -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xzv h ALA 128 CO -0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 179.25 178.81 1xzv h ALA 129 N 1.51 0.83 -0.06 0.00 0.00 -1.26 -2.29 119.26 117.98 1xzv h ALA 129 Ca 0.36 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1xzv h ALA 129 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xzv h ALA 129 CO -0.39 0.65 -0.48 1.88 0.00 0.00 0.00 179.25 180.91 1xzv h TYR 130 N 0.80 0.17 -0.57 0.00 0.05 -0.25 -2.30 116.97 114.87 1xzv h TYR 130 Ca 0.12 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1xzv h TYR 130 Cb 0.70 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1xzv h TYR 130 CO 0.04 0.60 0.06 1.96 -1.05 0.00 0.00 178.16 179.77 1xzv h GLN 131 N 0.11 0.94 -0.16 4.88 1.08 -0.55 0.41 115.11 121.81 1xzv h GLN 131 Ca 0.00 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 56.86 1xzv h GLN 131 Cb 0.90 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1xzv h GLN 131 CO 0.07 0.89 -0.36 0.87 -0.95 0.00 0.00 178.83 179.35 1xzv h LYS 132 N 0.88 0.34 0.15 1.46 1.57 -0.88 -2.19 116.57 117.90 1xzv h LYS 132 Ca 0.17 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1xzv h LYS 132 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xzv h LYS 132 CO 0.01 0.65 -0.07 0.28 -0.57 0.00 0.00 179.45 179.75 1xzv h VAL 133 N 0.29 0.99 -0.81 0.50 2.07 -0.96 -0.78 116.25 117.55 1xzv h VAL 133 Ca 0.03 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1xzv h VAL 133 Cb 0.77 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 1xzv h VAL 133 CO 0.06 0.20 0.52 -0.37 0.02 0.00 0.00 177.57 177.99 1xzv h VAL 134 N -0.65 1.13 -0.23 2.57 -1.51 -0.91 0.29 116.25 116.95 1xzv h VAL 134 Ca -0.02 -0.35 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 1xzv h VAL 134 Cb 0.48 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.66 1xzv h VAL 134 CO 0.03 0.18 0.12 0.00 -1.23 0.00 0.00 177.57 176.68 1xzv h ALA 135 N 1.33 0.30 -0.36 5.19 0.00 -1.43 -0.91 119.26 123.38 1xzv h ALA 135 Ca 0.32 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1xzv h ALA 135 Cb -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1xzv h ALA 135 CO -0.11 -0.15 0.07 0.78 0.00 0.00 0.00 179.25 179.85 1xzv h GLY 136 N 0.25 0.42 0.92 0.00 0.00 -0.48 0.06 103.07 104.24 1xzv h GLY 136 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1xzv h GLY 136 CO -0.01 -0.03 0.12 -2.08 0.00 0.00 0.00 176.54 174.54 1xzv h VAL 137 N 0.19 1.17 -0.83 4.60 2.07 -0.18 -1.39 116.25 121.88 1xzv h VAL 137 Ca 0.17 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1xzv h VAL 137 Cb 0.20 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1xzv h VAL 137 CO -0.23 0.18 0.53 0.00 0.02 0.00 0.00 177.57 178.07 1xzv h ALA 138 N 0.96 1.11 -0.44 1.67 0.00 -0.85 -0.04 119.26 121.67 1xzv h ALA 138 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xzv h ALA 138 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xzv h ALA 138 CO -0.01 0.32 0.17 -0.91 0.00 0.00 0.00 179.25 178.82 1xzv h ASN 139 N 1.00 0.62 -0.55 0.00 2.35 -0.76 -1.92 115.58 116.31 1xzv h ASN 139 Ca 0.34 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1xzv h ASN 139 Cb 0.07 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1xzv h ASN 139 CO -0.14 0.62 0.30 0.00 -1.65 0.00 0.00 177.43 176.57 1xzv h ALA 140 N 1.02 0.71 -0.02 -0.83 0.00 -0.65 -1.80 119.26 117.69 1xzv h ALA 140 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1xzv h ALA 140 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xzv h ALA 140 CO -0.01 0.23 -0.30 -0.07 0.00 0.00 0.00 179.25 179.11 1xzv h LEU 141 N 0.74 0.03 0.00 0.00 3.38 -0.82 -2.81 115.31 115.83 1xzv h LEU 141 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1xzv h LEU 141 Cb 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xzv h LEU 141 CO -0.03 0.33 -0.23 0.00 0.09 0.00 0.00 178.44 178.60 1xzv h ALA 142 N 1.67 0.89 -0.81 1.53 0.00 -1.03 -3.39 119.26 118.11 1xzv h ALA 142 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1xzv h ALA 142 Cb 0.54 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1xzv h ALA 142 CO 0.04 0.03 0.22 1.25 0.00 0.00 0.00 179.25 180.79 1xzv h HIS 143 N 0.00 0.34 -0.43 0.00 6.17 -1.06 -2.38 115.15 117.79 1xzv h HIS 143 Ca -0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1xzv h HIS 143 Cb 1.02 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.93 1xzv h HIS 143 CO 0.00 -0.13 0.00 1.63 0.71 0.00 0.00 177.93 180.14 1xzv n LYS 144 N -5.17 2.53 -2.33 5.26 4.76 -1.26 -4.92 118.16 117.03 1xzv n LYS 144 Ca 0.18 -1.76 -0.39 0.00 -2.87 0.00 0.00 58.31 53.46 1xzv n LYS 144 Cb 0.56 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1xzv n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xzv s TYR 145 N -1.62 3.22 0.00 2.13 2.02 -0.90 -4.77 117.35 117.43 1xzv s TYR 145 Ca 0.32 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.60 1xzv s TYR 145 Cb 0.19 -3.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1xzv s TYR 145 CO 0.17 -1.15 0.00 -2.39 -1.57 0.00 0.00 175.55 170.61