#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpw s HIS 2 N 0.00 2.90 -0.04 3.52 5.65 -1.26 -4.80 115.29 121.26 1qpw s HIS 2 Ca 0.00 -1.05 -0.14 0.00 0.25 0.00 0.00 55.06 54.12 1qpw s HIS 2 Cb 0.00 -4.34 -0.05 0.00 -1.18 0.00 0.00 32.58 27.01 1qpw s HIS 2 CO 0.00 -1.60 0.36 -1.17 -0.65 0.00 0.00 174.74 171.68 1qpw s LEU 3 N 3.43 4.43 0.58 8.88 1.98 -1.26 -5.11 118.68 131.61 1qpw s LEU 3 Ca 0.31 0.84 -0.06 0.00 -2.89 0.00 0.00 54.13 52.33 1qpw s LEU 3 Cb -0.08 -2.49 0.01 0.00 0.66 0.00 0.00 46.19 44.29 1qpw s LEU 3 CO -0.03 0.30 0.89 -0.94 -1.89 0.00 0.00 176.35 174.68 1qpw s SER 4 N -0.85 5.62 0.20 3.68 1.04 -1.26 -4.91 113.70 117.23 1qpw s SER 4 Ca 0.22 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.24 1qpw s SER 4 Cb -0.16 -1.71 0.14 0.00 0.10 0.00 0.00 66.02 64.40 1qpw s SER 4 CO 0.11 -1.03 1.85 0.00 0.98 0.00 0.00 173.24 175.15 1qpw h ALA 5 N -0.14 0.93 -0.35 5.32 0.00 -2.00 -1.15 119.26 121.88 1qpw h ALA 5 Ca -0.45 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.45 1qpw h ALA 5 Cb 1.25 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1qpw h ALA 5 CO 0.60 0.39 -0.15 0.93 0.00 0.00 0.00 179.25 181.02 1qpw h GLU 6 N 0.99 -0.08 -0.26 0.00 4.39 -2.00 -2.73 114.58 114.89 1qpw h GLU 6 Ca 0.26 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 1qpw h GLU 6 Cb -0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1qpw h GLU 6 CO -0.05 -0.05 -0.31 0.93 -1.16 0.00 0.00 179.01 178.37 1qpw h GLU 7 N -0.08 0.54 0.30 2.33 5.08 -1.72 -0.97 114.58 120.06 1qpw h GLU 7 Ca 0.17 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1qpw h GLU 7 Cb 0.35 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1qpw h GLU 7 CO -0.40 0.78 -0.14 0.87 -1.00 0.00 0.00 179.01 179.12 1qpw h LYS 8 N 0.46 -0.38 -0.82 2.33 1.57 -1.04 -0.15 116.57 118.54 1qpw h LYS 8 Ca 0.06 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.01 1qpw h LYS 8 Cb 0.76 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.07 1qpw h LYS 8 CO 0.06 -0.22 0.40 0.93 -0.57 0.00 0.00 179.45 180.04 1qpw h GLU 9 N -0.45 0.55 -0.53 3.15 5.08 -1.44 0.13 114.58 121.07 1qpw h GLU 9 Ca -0.04 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1qpw h GLU 9 Cb 0.34 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1qpw h GLU 9 CO 0.07 0.36 -0.04 0.00 -1.00 0.00 0.00 179.01 178.40 1qpw h ALA 10 N 1.56 0.72 0.27 3.43 0.00 -0.31 -1.02 119.26 123.91 1qpw h ALA 10 Ca 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qpw h ALA 10 Cb 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qpw h ALA 10 CO -0.38 0.58 -0.13 0.28 0.00 0.00 0.00 179.25 179.60 1qpw h VAL 11 N 0.84 0.68 -0.81 0.00 2.07 -0.01 -3.12 116.25 115.91 1qpw h VAL 11 Ca 0.15 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1qpw h VAL 11 Cb 0.58 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1qpw h VAL 11 CO 0.03 0.14 0.33 -0.07 0.02 0.00 0.00 177.57 178.03 1qpw h LEU 12 N -0.84 1.11 -0.44 2.57 4.07 -0.78 0.79 115.31 121.80 1qpw h LEU 12 Ca -0.04 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.82 1qpw h LEU 12 Cb 0.51 -0.29 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1qpw h LEU 12 CO 0.06 0.97 0.12 1.23 -1.08 0.00 0.00 178.44 179.75 1qpw h GLY 13 N 1.17 0.55 1.82 0.83 0.00 -1.30 -1.88 103.07 104.27 1qpw h GLY 13 Ca 0.27 -0.06 -0.23 0.00 0.00 0.00 0.00 47.33 47.31 1qpw h GLY 13 CO -0.02 -0.02 -1.12 -2.00 0.00 0.00 0.00 176.54 173.38 1qpw h LEU 14 N 0.27 0.13 -1.86 3.11 6.46 -1.42 -3.21 115.31 118.79 1qpw h LEU 14 Ca 0.21 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1qpw h LEU 14 Cb 0.24 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1qpw h LEU 14 CO -0.25 1.11 0.01 -0.25 -0.62 0.00 0.00 178.44 178.44 1qpw h TRP 15 N 0.02 0.09 -0.04 1.25 2.91 -0.08 -0.36 115.95 119.73 1qpw h TRP 15 Ca -0.07 0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.97 1qpw h TRP 15 Cb 1.85 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.47 1qpw h TRP 15 CO 0.02 0.09 0.15 0.78 -1.03 0.00 0.00 178.44 178.45 1qpw h GLY 16 N 0.19 0.00 0.70 2.65 0.00 -1.39 -0.62 103.07 104.61 1qpw h GLY 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1qpw h GLY 16 CO -0.00 0.00 -0.86 0.28 0.00 0.00 0.00 176.54 175.96 1qpw n LYS 17 N -3.22 0.20 -3.31 4.80 4.76 -0.15 -4.88 118.16 116.37 1qpw n LYS 17 Ca -0.02 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.05 1qpw n LYS 17 Cb 0.22 -1.58 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 1qpw n LYS 17 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1qpw s VAL 18 N -3.13 5.17 -0.83 -0.18 -7.23 -0.24 -4.97 120.40 108.99 1qpw s VAL 18 Ca 0.06 0.93 -0.26 0.00 -1.81 0.00 0.00 61.98 60.91 1qpw s VAL 18 Cb 0.15 -3.82 0.03 0.00 0.56 0.00 0.00 36.38 33.31 1qpw s VAL 18 CO 0.78 0.29 1.40 0.21 -0.31 0.00 0.00 175.10 177.46 1qpw s ASN 19 N 0.77 6.18 0.50 4.85 3.84 -1.26 -4.84 114.94 124.98 1qpw s ASN 19 Ca 0.25 -0.75 0.40 0.00 0.21 0.00 0.00 52.86 52.97 1qpw s ASN 19 Cb -0.15 -2.56 1.59 0.00 -0.55 0.00 0.00 41.25 39.58 1qpw s ASN 19 CO 0.10 -1.79 1.62 -0.37 -2.79 0.00 0.00 177.10 173.86 1qpw h VAL 20 N 6.39 0.09 0.22 -5.21 -1.51 -1.93 -1.29 116.25 113.01 1qpw h VAL 20 Ca -0.10 -0.01 -0.33 0.00 -1.23 0.00 0.00 66.70 65.02 1qpw h VAL 20 Cb 1.04 0.06 0.02 0.00 -2.13 0.00 0.00 31.29 30.28 1qpw h VAL 20 CO 1.32 0.01 -1.54 0.44 -1.23 0.00 0.00 177.57 176.57 1qpw h ASP 21 N 0.03 0.72 0.47 4.19 3.32 -1.90 -2.58 116.42 120.66 1qpw h ASP 21 Ca 0.85 -0.85 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1qpw h ASP 21 Cb 3.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 42.42 1qpw h ASP 21 CO -0.19 1.68 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.98 1qpw h GLU 22 N 0.13 0.20 -0.02 3.56 5.08 -1.68 -2.80 114.58 119.05 1qpw h GLU 22 Ca -0.27 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 57.73 1qpw h GLU 22 Cb 2.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1qpw h GLU 22 CO 0.24 0.81 -0.85 -0.39 -1.00 0.00 0.00 179.01 177.82 1qpw h VAL 23 N 0.14 1.44 -0.22 3.13 -1.51 -1.49 -2.83 116.25 114.91 1qpw h VAL 23 Ca -0.02 -2.44 -0.16 0.00 -1.23 0.00 0.00 66.70 62.85 1qpw h VAL 23 Cb 1.24 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 32.75 1qpw h VAL 23 CO 0.10 0.72 -0.53 1.23 -1.23 0.00 0.00 177.57 177.87 1qpw h GLY 24 N 1.55 0.69 1.01 5.19 0.00 -1.44 0.12 103.07 110.19 1qpw h GLY 24 Ca -0.05 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 1qpw h GLY 24 CO 0.14 0.70 0.46 -1.33 0.00 0.00 0.00 176.54 176.51 1qpw h GLY 25 N 0.99 1.09 0.56 4.60 0.00 -1.56 -2.78 103.07 105.96 1qpw h GLY 25 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1qpw h GLY 25 CO 0.10 0.43 -0.04 -2.09 0.00 0.00 0.00 176.54 174.94 1qpw h GLU 26 N 1.03 -0.12 -0.87 4.80 4.81 -1.16 -1.85 114.58 121.22 1qpw h GLU 26 Ca 0.27 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.64 1qpw h GLU 26 Cb -0.05 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.27 1qpw h GLU 26 CO -0.05 0.29 0.49 0.00 -0.73 0.00 0.00 179.01 179.00 1qpw h ALA 27 N 0.27 1.31 0.04 2.92 0.00 -0.80 -1.66 119.26 121.34 1qpw h ALA 27 Ca -0.01 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1qpw h ALA 27 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1qpw h ALA 27 CO 0.02 0.01 -1.02 1.25 0.00 0.00 0.00 179.25 179.52 1qpw h LEU 28 N 0.73 0.25 -0.69 0.00 5.85 -1.49 -1.06 115.31 118.90 1qpw h LEU 28 Ca 0.46 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 1qpw h LEU 28 Cb 0.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1qpw h LEU 28 CO -0.32 1.11 -0.40 1.23 -0.34 0.00 0.00 178.44 179.72 1qpw h GLY 29 N 2.04 0.59 1.11 3.75 0.00 -0.69 -2.95 103.07 106.92 1qpw h GLY 29 Ca -0.06 -0.58 -0.20 0.00 0.00 0.00 0.00 47.33 46.49 1qpw h GLY 29 CO 0.15 0.53 -0.66 3.21 0.00 0.00 0.00 176.54 179.77 1qpw h ARG 30 N 0.44 0.77 -0.31 4.80 3.08 -1.22 -2.13 114.38 119.81 1qpw h ARG 30 Ca 0.04 -0.58 0.06 0.00 0.07 0.00 0.00 59.98 59.56 1qpw h ARG 30 Cb 0.90 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 1qpw h ARG 30 CO 0.08 1.20 -0.02 1.25 -1.07 0.00 0.00 179.97 181.41 1qpw h LEU 31 N 0.50 -0.17 -0.87 3.04 5.85 -1.22 0.37 115.31 122.80 1qpw h LEU 31 Ca -0.03 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1qpw h LEU 31 Cb 1.29 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1qpw h LEU 31 CO 0.14 -0.05 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.75 1qpw h LEU 32 N 0.06 0.41 0.02 2.25 4.07 -1.48 0.34 115.31 120.98 1qpw h LEU 32 Ca 0.15 -0.16 -0.28 0.00 0.08 0.00 0.00 57.88 57.67 1qpw h LEU 32 Cb 0.21 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1qpw h LEU 32 CO -0.27 0.74 -1.57 1.62 -1.08 0.00 0.00 178.44 177.88 1qpw h VAL 33 N 0.33 1.04 -0.13 1.22 3.04 -1.19 -3.37 116.25 117.19 1qpw h VAL 33 Ca 0.04 -2.84 -0.22 0.00 -1.01 0.00 0.00 66.70 62.66 1qpw h VAL 33 Cb 0.80 2.54 0.01 0.00 -2.01 0.00 0.00 31.29 32.63 1qpw h VAL 33 CO 0.06 0.64 -0.80 0.58 -1.01 0.00 0.00 177.57 177.04 1qpw h VAL 34 N 0.01 1.28 -2.96 1.51 2.07 -0.18 -3.37 116.25 114.62 1qpw h VAL 34 Ca -0.23 -2.00 -0.66 0.00 0.82 0.00 0.00 66.70 64.63 1qpw h VAL 34 Cb 1.97 2.06 -0.39 0.00 -1.52 0.00 0.00 31.29 33.40 1qpw h VAL 34 CO 0.10 0.63 -0.33 -1.22 0.02 0.00 0.00 177.57 176.77 1qpw n TYR 35 N -3.95 3.62 0.25 1.57 4.01 0.10 -4.99 117.16 117.77 1qpw n TYR 35 Ca -0.08 -4.12 0.09 0.00 -0.16 0.00 0.00 57.90 53.63 1qpw n TYR 35 Cb 0.76 -0.82 0.65 0.00 -0.31 0.00 0.00 39.34 39.61 1qpw n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1qpw h PRO 36 N 5.32 0.00 0.00 -0.72 0.11 -1.74 -2.23 132.00 132.75 1qpw h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1qpw h PRO 36 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1qpw h PRO 36 CO 0.83 0.13 0.05 0.11 -0.21 0.00 0.00 178.00 178.91 1qpw h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.93 -2.42 115.95 112.35 1qpw h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1qpw h TRP 37 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.51 1qpw h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1qpw n THR 38 N -2.30 0.32 0.28 0.12 -2.24 -0.84 -2.19 114.28 107.44 1qpw n THR 38 Ca -0.01 0.03 0.16 0.00 -2.27 0.00 0.00 64.05 61.95 1qpw n THR 38 Cb 0.09 -0.65 0.77 0.00 -2.10 0.00 0.00 70.33 68.44 1qpw n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1qpw h GLN 39 N 0.00 0.00 -0.52 -0.78 4.20 -1.65 -2.81 115.11 113.54 1qpw h GLN 39 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1qpw h GLN 39 Cb 0.47 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1qpw h GLN 39 CO 0.00 0.07 0.36 -0.09 -0.67 0.00 0.00 178.83 178.50 1qpw h ARG 40 N 0.00 0.21 -0.00 1.46 2.43 -1.65 -0.05 114.38 116.77 1qpw h ARG 40 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qpw h ARG 40 Cb 0.40 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1qpw h ARG 40 CO 0.01 0.14 -0.36 1.19 -1.51 0.00 0.00 179.97 179.43 1qpw n PHE 41 N -4.44 0.00 -2.05 2.20 3.72 -1.06 -3.81 117.46 112.02 1qpw n PHE 41 Ca 0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.43 1qpw n PHE 41 Cb 0.44 -0.23 0.09 0.00 -0.94 0.00 0.00 39.48 38.84 1qpw n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qpw n PHE 42 N -1.24 1.18 -0.20 1.38 3.72 -0.05 -4.79 117.46 117.45 1qpw n PHE 42 Ca 0.08 -1.71 0.01 0.00 -0.05 0.00 0.00 57.45 55.77 1qpw n PHE 42 Cb 0.33 -0.27 0.09 0.00 -0.94 0.00 0.00 39.48 38.70 1qpw n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1qpw h GLU 43 N 1.65 0.09 0.00 -1.08 4.57 -1.61 -2.30 114.58 115.91 1qpw h GLU 43 Ca 0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1qpw h GLU 43 Cb 1.36 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1qpw h GLU 43 CO 0.32 0.06 0.00 0.66 -1.18 0.00 0.00 179.01 178.87 1qpw h SER 44 N 0.10 0.00 0.37 1.04 4.64 -1.92 -3.24 113.55 114.54 1qpw h SER 44 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1qpw h SER 44 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1qpw h SER 44 CO -0.54 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.16 1qpw h PHE 45 N 0.00 0.00 0.00 4.77 -1.00 -1.81 -3.48 116.94 115.42 1qpw h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1qpw h PHE 45 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1qpw h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1qpw n GLY 46 N -0.67 0.54 3.58 -1.45 0.00 -1.23 -4.86 105.19 101.10 1qpw n GLY 46 Ca -0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1qpw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qpw s ASP 47 N -4.00 5.78 -0.13 1.61 3.68 -1.26 -4.74 116.67 117.62 1qpw s ASP 47 Ca 0.00 0.94 0.14 0.00 2.13 0.00 0.00 52.55 55.77 1qpw s ASP 47 Cb 0.00 -2.53 0.31 0.00 -1.45 0.00 0.00 42.92 39.25 1qpw s ASP 47 CO 0.00 -1.86 1.16 0.18 0.13 0.00 0.00 175.17 174.78 1qpw n LEU 48 N 10.77 2.00 0.00 -1.34 4.77 -1.26 -3.96 117.00 127.98 1qpw n LEU 48 Ca 0.21 -2.97 0.09 0.00 -0.03 0.00 0.00 56.01 53.32 1qpw n LEU 48 Cb 0.48 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.65 1qpw n LEU 48 CO 0.70 0.87 0.80 -1.20 -1.33 0.00 0.00 177.39 177.22 1qpw n SER 49 N -0.91 0.00 -3.54 -1.43 7.64 -1.26 -4.77 113.62 109.36 1qpw n SER 49 Ca 0.14 0.34 -0.07 0.00 1.01 0.00 0.00 58.87 60.28 1qpw n SER 49 Cb 0.73 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1qpw n SER 49 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qpw s ASN 50 N -2.86 -0.31 0.61 6.43 2.20 -1.26 -5.03 114.94 114.71 1qpw s ASN 50 Ca 0.12 -0.03 0.39 0.00 -0.94 0.00 0.00 52.86 52.39 1qpw s ASN 50 Cb 0.13 0.35 1.92 0.00 -2.00 0.00 0.00 41.25 41.65 1qpw s ASN 50 CO 0.33 -0.58 2.19 0.00 -2.94 0.00 0.00 177.10 176.10 1qpw h ALA 51 N 2.00 1.04 0.00 3.54 0.00 -1.97 -1.61 119.26 122.26 1qpw h ALA 51 Ca -0.21 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1qpw h ALA 51 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1qpw h ALA 51 CO 0.29 0.02 -0.86 -0.44 0.00 0.00 0.00 179.25 178.26 1qpw h ASP 52 N 0.00 0.03 -0.06 0.00 3.32 -1.97 -2.02 116.42 115.71 1qpw h ASP 52 Ca -0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1qpw h ASP 52 Cb 0.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1qpw h ASP 52 CO 0.00 0.87 -0.12 0.00 -1.72 0.00 0.00 179.24 178.27 1qpw h ALA 53 N 1.12 0.10 0.57 3.45 0.00 -1.63 -3.34 119.26 119.53 1qpw h ALA 53 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1qpw h ALA 53 Cb 1.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1qpw h ALA 53 CO 0.11 -0.02 -0.48 0.28 0.00 0.00 0.00 179.25 179.15 1qpw h VAL 54 N -0.30 0.00 -3.44 0.00 2.07 -1.48 -3.01 116.25 110.10 1qpw h VAL 54 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 1qpw h VAL 54 Cb 0.70 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1qpw h VAL 54 CO 0.03 0.00 0.57 -0.04 0.02 0.00 0.00 177.57 178.14 1qpw s MET 55 N -5.70 4.48 0.00 1.57 1.00 -0.76 -1.54 119.30 118.34 1qpw s MET 55 Ca -0.17 1.88 0.00 0.00 0.00 0.00 0.00 55.69 57.40 1qpw s MET 55 Cb 0.04 -3.25 0.00 0.00 0.00 0.00 0.00 34.83 31.62 1qpw s MET 55 CO 0.57 -0.12 0.00 0.41 0.00 0.00 0.00 175.02 175.88 1qpw n GLY 56 N 2.33 2.56 3.61 -0.03 0.00 -1.26 -4.64 105.19 107.76 1qpw n GLY 56 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1qpw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qpw s ASN 57 N -1.58 6.02 0.39 1.61 3.84 -0.59 -4.90 114.94 119.72 1qpw s ASN 57 Ca 0.00 1.59 0.19 0.00 0.21 0.00 0.00 52.86 54.85 1qpw s ASN 57 Cb 0.00 -2.53 1.15 0.00 -0.55 0.00 0.00 41.25 39.32 1qpw s ASN 57 CO 0.00 -1.56 1.71 -0.65 -2.79 0.00 0.00 177.10 173.81 1qpw h PRO 58 N 12.37 0.32 -0.08 0.43 0.11 -1.91 -1.98 132.00 141.26 1qpw h PRO 58 Ca -0.36 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.52 1qpw h PRO 58 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qpw h PRO 58 CO 1.00 0.21 -0.81 0.87 -0.21 0.00 0.00 178.00 179.07 1qpw h LYS 59 N 0.33 0.54 -0.65 1.05 6.56 -1.90 0.18 116.57 122.68 1qpw h LYS 59 Ca 0.68 -0.48 -0.08 0.00 -1.06 0.00 0.00 60.65 59.72 1qpw h LYS 59 Cb 1.75 0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 33.49 1qpw h LYS 59 CO -0.41 1.10 0.10 0.28 -2.06 0.00 0.00 179.45 178.47 1qpw h VAL 60 N 0.35 1.26 0.20 0.50 2.07 -1.67 0.09 116.25 119.06 1qpw h VAL 60 Ca -0.05 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1qpw h VAL 60 Cb 1.41 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1qpw h VAL 60 CO 0.15 0.39 -0.09 0.11 0.02 0.00 0.00 177.57 178.14 1qpw h LYS 61 N 1.01 -0.25 -0.11 1.57 1.79 -1.46 0.72 116.57 119.83 1qpw h LYS 61 Ca 0.20 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 1qpw h LYS 61 Cb 0.45 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.11 1qpw h LYS 61 CO 0.01 0.04 -0.15 0.00 -1.08 0.00 0.00 179.45 178.27 1qpw h ALA 62 N 0.19 -0.09 -0.88 3.86 0.00 -0.88 -2.33 119.26 119.12 1qpw h ALA 62 Ca -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qpw h ALA 62 Cb 0.41 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1qpw h ALA 62 CO 0.04 -0.61 0.55 1.25 0.00 0.00 0.00 179.25 180.48 1qpw h HIS 63 N -0.20 1.15 -0.88 0.00 -0.00 -0.92 -3.03 115.15 111.26 1qpw h HIS 63 Ca 0.09 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 1qpw h HIS 63 Cb 0.32 -0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 27.30 1qpw h HIS 63 CO -0.26 0.75 0.57 0.78 -0.00 0.00 0.00 177.93 179.77 1qpw h GLY 64 N 1.21 1.29 0.68 5.26 0.00 -0.33 -1.75 103.07 109.44 1qpw h GLY 64 Ca 0.32 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.30 1qpw h GLY 64 CO -0.06 0.35 0.63 0.50 0.00 0.00 0.00 176.54 177.96 1qpw h LYS 65 N 1.08 1.08 -0.43 4.80 1.57 -1.33 -1.83 116.57 121.50 1qpw h LYS 65 Ca 0.36 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1qpw h LYS 65 Cb 0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1qpw h LYS 65 CO -0.13 0.71 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.94 1qpw h LYS 66 N 1.11 0.97 -0.17 3.15 1.63 -1.35 0.14 116.57 122.05 1qpw h LYS 66 Ca 0.44 -0.47 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 1qpw h LYS 66 Cb 0.24 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1qpw h LYS 66 CO -0.19 1.13 -0.49 -0.24 -3.45 0.00 0.00 179.45 176.21 1qpw h VAL 67 N 0.81 1.32 -0.34 2.00 3.04 -1.04 -1.60 116.25 120.45 1qpw h VAL 67 Ca 0.08 -1.72 -0.17 0.00 -1.01 0.00 0.00 66.70 63.89 1qpw h VAL 67 Cb 0.90 1.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1qpw h VAL 67 CO 0.08 0.53 -0.46 -0.07 -1.01 0.00 0.00 177.57 176.65 1qpw h LEU 68 N 0.36 0.99 -1.15 3.16 -0.00 -0.99 -1.69 115.31 115.99 1qpw h LEU 68 Ca 0.02 -0.49 -0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1qpw h LEU 68 Cb 0.99 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 41.33 1qpw h LEU 68 CO 0.09 1.29 0.49 -0.61 -0.00 0.00 0.00 178.44 179.69 1qpw h GLN 69 N 0.72 1.06 -0.03 1.13 -0.00 -0.63 -0.79 115.11 116.58 1qpw h GLN 69 Ca 0.04 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 1qpw h GLN 69 Cb 1.06 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 28.30 1qpw h GLN 69 CO 0.11 0.74 -0.24 0.77 0.00 0.00 0.00 178.83 180.20 1qpw h SER 70 N 1.09 0.05 -0.24 -0.69 0.02 -0.91 -2.96 113.55 109.91 1qpw h SER 70 Ca 0.29 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1qpw h SER 70 Cb -0.06 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1qpw h SER 70 CO -0.06 0.30 0.09 0.15 -1.14 0.00 0.00 176.83 176.17 1qpw h PHE 71 N 0.05 0.37 -0.55 3.45 3.57 -0.33 -2.59 116.94 120.92 1qpw h PHE 71 Ca 0.01 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1qpw h PHE 71 Cb 0.46 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 1qpw h PHE 71 CO 0.00 0.41 0.13 0.77 -2.23 0.00 0.00 178.31 177.39 1qpw h SER 72 N 0.23 0.03 -0.00 0.41 0.02 -1.04 -1.53 113.55 111.66 1qpw h SER 72 Ca 0.08 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1qpw h SER 72 Cb 0.20 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1qpw h SER 72 CO -0.00 0.04 -0.12 0.44 -1.14 0.00 0.00 176.83 176.04 1qpw h ASP 73 N 0.27 0.25 0.02 3.07 3.32 -1.36 0.17 116.42 122.16 1qpw h ASP 73 Ca 0.28 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1qpw h ASP 73 Cb 0.39 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1qpw h ASP 73 CO -0.35 0.40 -0.09 1.23 -1.72 0.00 0.00 179.24 178.71 1qpw h GLY 74 N 0.76 0.18 -5.70 2.75 0.00 -0.94 -3.40 103.07 96.72 1qpw h GLY 74 Ca 0.05 -0.10 -0.57 0.00 0.00 0.00 0.00 47.33 46.72 1qpw h GLY 74 CO 0.02 0.09 0.95 1.08 0.00 0.00 0.00 176.54 178.68 1qpw s LEU 75 N -8.84 3.97 -0.36 3.11 1.02 0.59 -3.45 118.68 114.72 1qpw s LEU 75 Ca -0.05 1.36 -0.11 0.00 0.02 0.00 0.00 54.13 55.35 1qpw s LEU 75 Cb 0.16 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.84 1qpw s LEU 75 CO 0.71 -0.98 0.42 1.17 0.02 0.00 0.00 176.35 177.69 1qpw n LYS 76 N 7.09 -2.33 0.00 1.70 3.00 -1.26 -4.85 118.16 121.51 1qpw n LYS 76 Ca 0.15 2.07 0.00 0.00 -0.00 0.00 0.00 58.31 60.53 1qpw n LYS 76 Cb 0.46 -5.15 0.00 0.00 0.00 0.00 0.00 35.03 30.34 1qpw n LYS 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1qpw n HIS 77 N -0.12 0.00 -0.30 5.64 8.25 -1.23 -4.95 115.22 122.51 1qpw n HIS 77 Ca 0.08 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 57.89 1qpw n HIS 77 Cb 0.32 0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.17 1qpw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qpw h LEU 78 N 0.00 0.00 -0.64 2.41 -0.00 -1.89 0.38 115.31 115.57 1qpw h LEU 78 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1qpw h LEU 78 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1qpw h LEU 78 CO 0.00 0.00 -0.38 0.44 -0.00 0.00 0.00 178.44 178.50 1qpw h ASP 79 N 0.00 0.00 -1.99 -0.43 5.19 -1.92 -0.71 116.42 116.56 1qpw h ASP 79 Ca 0.55 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.46 1qpw h ASP 79 Cb 2.27 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 41.38 1qpw h ASP 79 CO -0.01 0.38 -1.11 -3.20 -3.12 0.00 0.00 179.24 172.18 1qpw n ASN 80 N -3.38 1.43 0.11 6.45 5.15 0.13 -4.83 115.26 120.32 1qpw n ASN 80 Ca 0.01 -3.10 -0.03 0.00 -0.60 0.00 0.00 54.58 50.85 1qpw n ASN 80 Cb 0.57 -0.61 0.10 0.00 -0.53 0.00 0.00 39.78 39.32 1qpw n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1qpw h LEU 81 N 2.99 0.08 -1.63 1.20 3.38 -1.70 -2.84 115.31 116.78 1qpw h LEU 81 Ca 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qpw h LEU 81 Cb 0.91 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1qpw h LEU 81 CO 0.55 0.74 0.18 0.11 0.09 0.00 0.00 178.44 180.11 1qpw h LYS 82 N 0.04 0.42 0.00 1.13 6.56 -1.91 -1.28 116.57 121.54 1qpw h LYS 82 Ca -0.01 -0.03 -0.29 0.00 -1.06 0.00 0.00 60.65 59.26 1qpw h LYS 82 Cb 1.23 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.75 1qpw h LYS 82 CO 0.10 0.31 -1.78 0.41 -2.06 0.00 0.00 179.45 176.43 1qpw n GLY 83 N -1.41 -1.02 0.32 3.86 0.00 -1.20 -2.44 105.19 103.30 1qpw n GLY 83 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1qpw n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpw h THR 84 N 0.00 1.12 -0.01 2.61 2.02 -1.36 -3.07 112.91 114.22 1qpw h THR 84 Ca -0.31 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1qpw h THR 84 Cb 2.00 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1qpw h THR 84 CO 0.07 0.19 -0.61 0.49 0.37 0.00 0.00 175.52 176.03 1qpw n PHE 85 N -4.57 0.00 -0.29 3.16 3.72 -0.50 -4.47 117.46 114.52 1qpw n PHE 85 Ca 0.11 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.78 1qpw n PHE 85 Cb 0.10 -0.05 0.61 0.00 -0.94 0.00 0.00 39.48 39.20 1qpw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qpw h ALA 86 N 3.45 2.57 -0.07 4.37 0.00 -1.37 0.10 119.26 128.32 1qpw h ALA 86 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1qpw h ALA 86 Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qpw h ALA 86 CO 0.00 -0.92 -0.24 -0.22 0.00 0.00 0.00 179.25 177.87 1qpw h LYS 87 N 0.22 0.28 0.00 0.00 3.64 -1.80 -2.30 116.57 116.60 1qpw h LYS 87 Ca 0.54 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1qpw h LYS 87 Cb 1.71 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1qpw h LYS 87 CO -0.16 0.84 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.33 1qpw h LEU 88 N -0.23 0.00 -0.78 5.20 3.38 -1.39 -1.63 115.31 119.86 1qpw h LEU 88 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1qpw h LEU 88 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1qpw h LEU 88 CO 0.05 0.47 -0.32 -1.28 0.09 0.00 0.00 178.44 177.44 1qpw h SER 89 N 0.00 0.57 1.02 -0.43 0.87 -0.67 -1.22 113.55 113.69 1qpw h SER 89 Ca -0.00 -0.22 -0.14 0.00 -1.23 0.00 0.00 61.79 60.20 1qpw h SER 89 Cb 0.85 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1qpw h SER 89 CO 0.06 0.85 -0.65 1.05 -0.53 0.00 0.00 176.83 177.61 1qpw h GLU 90 N 0.47 0.00 -0.70 2.24 4.11 -1.25 -1.96 114.58 117.49 1qpw h GLU 90 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 1qpw h GLU 90 Cb 0.79 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1qpw h GLU 90 CO 0.06 0.65 0.29 1.25 0.07 0.00 0.00 179.01 181.34 1qpw h LEU 91 N 0.00 0.97 -0.25 3.06 7.12 -0.82 0.15 115.31 125.54 1qpw h LEU 91 Ca -0.01 -0.17 -0.12 0.00 0.13 0.00 0.00 57.88 57.71 1qpw h LEU 91 Cb 1.34 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1qpw h LEU 91 CO 0.09 0.87 -0.31 0.45 -0.13 0.00 0.00 178.44 179.40 1qpw h HIS 92 N 1.00 0.80 0.33 1.25 3.86 -1.23 -1.34 115.15 119.82 1qpw h HIS 92 Ca 0.24 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1qpw h HIS 92 Cb 0.20 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1qpw h HIS 92 CO 0.01 1.00 -0.16 0.00 0.86 0.00 0.00 177.93 179.64 1qpw n ASP 94 N -5.08 0.51 -0.09 0.00 8.00 0.03 -2.95 116.55 116.97 1qpw n ASP 94 Ca -0.08 0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 1qpw n ASP 94 Cb 0.25 0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 41.70 1qpw n ASP 94 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1qpw n GLN 95 N -2.87 0.64 0.01 -1.24 -0.06 -0.74 -4.62 117.38 108.51 1qpw n GLN 95 Ca -0.21 0.36 0.04 0.00 -2.00 0.00 0.00 57.00 55.19 1qpw n GLN 95 Cb 1.03 -1.65 -0.10 0.00 -4.06 0.00 0.00 30.24 25.46 1qpw n GLN 95 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1qpw n LEU 96 N -3.95 0.45 -2.94 1.69 4.77 -0.58 -5.00 117.00 111.44 1qpw n LEU 96 Ca -0.39 0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.59 1qpw n LEU 96 Cb 0.88 0.09 0.06 0.00 -2.33 0.00 0.00 43.42 42.12 1qpw n LEU 96 CO 0.23 0.09 0.19 1.41 -1.33 0.00 0.00 177.39 177.98 1qpw n HIS 97 N -2.63 -2.24 -2.89 -1.77 8.25 0.07 -4.99 115.22 109.02 1qpw n HIS 97 Ca -0.10 0.80 -0.42 0.00 -0.26 0.00 0.00 57.72 57.74 1qpw n HIS 97 Cb 0.75 -4.20 -0.04 0.00 1.12 0.00 0.00 29.99 27.61 1qpw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qpw s VAL 98 N -3.25 4.80 0.39 1.59 1.01 -1.05 -5.02 120.40 118.87 1qpw s VAL 98 Ca 0.43 1.47 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1qpw s VAL 98 Cb -0.19 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1qpw s VAL 98 CO 0.57 -0.15 1.39 -0.62 0.00 0.00 0.00 175.10 176.30 1qpw s ASP 99 N 1.44 6.34 0.65 3.32 -1.08 -1.26 -4.75 116.67 121.33 1qpw s ASP 99 Ca 0.35 2.86 0.43 0.00 -0.52 0.00 0.00 52.55 55.66 1qpw s ASP 99 Cb -0.15 -2.65 2.31 0.00 -1.46 0.00 0.00 42.92 40.97 1qpw s ASP 99 CO 0.09 -0.85 2.34 -0.65 0.52 0.00 0.00 175.17 176.62 1qpw h PRO 100 N 2.88 0.00 0.00 4.34 0.11 -1.96 -2.95 132.00 134.42 1qpw h PRO 100 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1qpw h PRO 100 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1qpw h PRO 100 CO 0.63 0.00 -0.25 1.49 -0.21 0.00 0.00 178.00 179.67 1qpw h GLU 101 N 0.00 0.00 0.00 1.05 4.22 -1.99 -0.25 114.58 117.61 1qpw h GLU 101 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1qpw h GLU 101 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qpw h GLU 101 CO 0.00 0.25 0.00 -0.91 -2.18 0.00 0.00 179.01 176.17 1qpw h ASN 102 N 0.00 0.00 0.25 1.04 2.35 -1.91 -0.95 115.58 116.36 1qpw h ASN 102 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1qpw h ASN 102 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1qpw h ASN 102 CO 0.03 0.00 -0.39 -0.26 -1.65 0.00 0.00 177.43 175.17 1qpw h PHE 103 N 0.00 0.22 -0.06 1.19 0.04 -1.23 -1.66 116.94 115.43 1qpw h PHE 103 Ca 0.00 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1qpw h PHE 103 Cb 0.39 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1qpw h PHE 103 CO 0.00 0.56 -0.22 0.00 -0.60 0.00 0.00 178.31 178.05 1qpw h ARG 104 N 0.17 0.26 -0.82 1.51 -0.00 -1.27 -1.82 114.38 112.41 1qpw h ARG 104 Ca 0.02 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.98 59.27 1qpw h ARG 104 Cb 0.76 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.73 1qpw h ARG 104 CO 0.06 0.82 0.37 -0.07 0.00 0.00 0.00 179.97 181.15 1qpw h LEU 105 N -0.25 1.09 -0.73 3.04 3.38 -1.31 -2.07 115.31 118.46 1qpw h LEU 105 Ca -0.01 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1qpw h LEU 105 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1qpw h LEU 105 CO 0.05 0.93 -0.53 0.25 0.09 0.00 0.00 178.44 179.23 1qpw h LEU 106 N 1.17 0.32 -0.41 1.67 5.85 -1.31 -1.75 115.31 120.86 1qpw h LEU 106 Ca 0.28 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1qpw h LEU 106 Cb 0.15 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1qpw h LEU 106 CO -0.03 0.79 0.21 1.23 -0.34 0.00 0.00 178.44 180.30 1qpw h GLY 107 N 1.33 0.56 1.97 3.75 0.00 -0.89 -1.74 103.07 108.05 1qpw h GLY 107 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1qpw h GLY 107 CO 0.08 0.11 -0.44 3.43 0.00 0.00 0.00 176.54 179.73 1qpw h ASN 108 N 0.43 0.03 0.75 0.19 2.35 -1.26 -1.74 115.58 116.33 1qpw h ASN 108 Ca 0.17 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1qpw h ASN 108 Cb 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1qpw h ASN 108 CO -0.11 0.47 -0.45 0.58 -1.65 0.00 0.00 177.43 176.27 1qpw h VAL 109 N 0.02 1.07 -0.21 2.81 2.07 -0.81 -1.71 116.25 119.50 1qpw h VAL 109 Ca -0.00 -1.69 -0.10 0.00 0.82 0.00 0.00 66.70 65.73 1qpw h VAL 109 Cb 0.79 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1qpw h VAL 109 CO 0.06 0.44 -0.26 0.40 0.02 0.00 0.00 177.57 178.22 1qpw h ILE 110 N 0.00 1.33 -0.74 4.57 2.04 -0.70 -2.23 117.51 121.77 1qpw h ILE 110 Ca -0.00 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.44 1qpw h ILE 110 Cb 0.94 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 1qpw h ILE 110 CO 0.06 0.45 0.46 0.58 0.00 0.00 0.00 178.15 179.70 1qpw h VAL 111 N 0.23 1.08 0.00 1.67 2.07 -1.07 0.16 116.25 120.38 1qpw h VAL 111 Ca 0.03 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1qpw h VAL 111 Cb 0.83 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1qpw h VAL 111 CO 0.06 0.16 -0.36 -0.37 0.02 0.00 0.00 177.57 177.08 1qpw h VAL 112 N 0.88 0.88 -0.01 2.57 -1.51 -1.25 -1.05 116.25 116.76 1qpw h VAL 112 Ca 0.31 -1.47 -0.16 0.00 -1.23 0.00 0.00 66.70 64.15 1qpw h VAL 112 Cb 0.06 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1qpw h VAL 112 CO -0.13 0.36 -0.72 0.58 -1.23 0.00 0.00 177.57 176.42 1qpw h VAL 113 N 0.00 1.48 -0.26 7.19 2.07 -0.73 -0.41 116.25 125.59 1qpw h VAL 113 Ca -0.00 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 64.96 1qpw h VAL 113 Cb 0.87 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1qpw h VAL 113 CO 0.05 0.69 -0.58 -0.07 0.02 0.00 0.00 177.57 177.67 1qpw h LEU 114 N 0.06 0.91 -0.81 2.57 3.38 -0.25 -2.51 115.31 118.66 1qpw h LEU 114 Ca -0.02 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1qpw h LEU 114 Cb 1.28 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1qpw h LEU 114 CO 0.10 1.29 0.40 0.00 0.09 0.00 0.00 178.44 180.32 1qpw h ALA 115 N 0.72 1.04 0.00 1.53 0.00 -1.13 -0.33 119.26 121.08 1qpw h ALA 115 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1qpw h ALA 115 Cb 1.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1qpw h ALA 115 CO 0.12 0.59 -0.28 -0.09 0.00 0.00 0.00 179.25 179.59 1qpw h ARG 116 N 1.13 0.00 0.02 0.00 2.43 -0.90 -2.37 114.38 114.70 1qpw h ARG 116 Ca 0.28 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 59.05 1qpw h ARG 116 Cb 0.10 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1qpw h ARG 116 CO -0.04 0.28 -2.34 0.54 -1.51 0.00 0.00 179.97 176.91 1qpw n ARG 117 N -4.20 0.65 0.02 0.20 1.74 -0.96 -4.43 116.66 109.67 1qpw n ARG 117 Ca -0.02 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1qpw n ARG 117 Cb 0.33 -1.56 0.27 0.00 -1.02 0.00 0.00 32.46 30.48 1qpw n ARG 117 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qpw n LEU 118 N -3.63 0.50 0.00 0.55 4.32 -0.16 -4.99 117.00 113.60 1qpw n LEU 118 Ca -0.45 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 1qpw n LEU 118 Cb 0.95 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1qpw n LEU 118 CO 0.22 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.06 1qpw n GLY 119 N 1.45 2.00 0.30 -0.72 0.00 -0.89 -1.17 105.19 106.16 1qpw n GLY 119 Ca 0.05 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.58 1qpw n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1qpw h HIS 120 N 0.00 0.51 -0.43 1.61 -0.00 -1.94 0.23 115.15 115.14 1qpw h HIS 120 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1qpw h HIS 120 Cb 0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1qpw h HIS 120 CO 0.00 0.37 0.29 -0.44 -0.00 0.00 0.00 177.93 178.15 1qpw h ASP 121 N 0.54 0.27 -0.48 3.26 3.45 -1.55 -3.26 116.42 118.64 1qpw h ASP 121 Ca 0.14 0.00 -0.71 0.00 0.43 0.00 0.00 57.03 56.89 1qpw h ASP 121 Cb 0.03 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 38.69 1qpw h ASP 121 CO -0.02 0.18 3.04 0.33 -1.57 0.00 0.00 179.24 181.19 1qpw n PHE 122 N -4.47 2.86 -2.09 4.55 7.35 0.82 -4.81 117.46 121.67 1qpw n PHE 122 Ca 0.06 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.52 1qpw n PHE 122 Cb 0.28 -2.28 0.09 0.00 0.35 0.00 0.00 39.48 37.91 1qpw n PHE 122 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1qpw s ASN 123 N 1.86 4.48 0.54 -2.13 2.20 -1.23 -4.76 114.94 115.90 1qpw s ASN 123 Ca 0.55 0.49 0.27 0.00 -0.94 0.00 0.00 52.86 53.23 1qpw s ASN 123 Cb 0.15 -1.00 1.43 0.00 -2.00 0.00 0.00 41.25 39.84 1qpw s ASN 123 CO -0.06 -1.85 1.97 -0.65 -2.94 0.00 0.00 177.10 173.57 1qpw h PRO 124 N -0.87 0.00 0.04 3.55 0.11 -1.94 -1.51 132.00 131.38 1qpw h PRO 124 Ca -0.44 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1qpw h PRO 124 Cb 1.31 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.43 1qpw h PRO 124 CO 0.58 0.00 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.51 1qpw h ASP 125 N 0.00 0.31 -0.06 -2.05 3.32 -1.96 -2.62 116.42 113.36 1qpw h ASP 125 Ca 0.28 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.35 1qpw h ASP 125 Cb 1.15 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1qpw h ASP 125 CO -0.00 1.13 -0.35 -0.37 -1.72 0.00 0.00 179.24 177.93 1qpw h VAL 126 N -0.47 1.29 -0.95 -1.35 -1.51 -1.73 -2.10 116.25 109.42 1qpw h VAL 126 Ca -0.06 -1.47 0.13 0.00 -1.23 0.00 0.00 66.70 64.07 1qpw h VAL 126 Cb 1.22 1.47 -0.09 0.00 -2.13 0.00 0.00 31.29 31.77 1qpw h VAL 126 CO 0.08 0.47 0.58 -0.61 -1.23 0.00 0.00 177.57 176.85 1qpw h GLN 127 N 0.47 0.85 -0.06 5.19 4.15 -1.37 -1.12 115.11 123.21 1qpw h GLN 127 Ca 0.05 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1qpw h GLN 127 Cb 0.82 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1qpw h GLN 127 CO 0.07 0.56 -0.45 0.00 -1.93 0.00 0.00 178.83 177.08 1qpw h ALA 128 N 1.54 1.13 -0.04 3.38 0.00 -0.98 -0.04 119.26 124.26 1qpw h ALA 128 Ca 0.49 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1qpw h ALA 128 Cb 0.55 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1qpw h ALA 128 CO -0.29 0.60 -0.38 0.00 0.00 0.00 0.00 179.25 179.18 1qpw h ALA 129 N 1.42 0.10 -0.31 0.00 0.00 -1.25 -3.23 119.26 115.99 1qpw h ALA 129 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qpw h ALA 129 Cb 0.85 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1qpw h ALA 129 CO 0.07 0.21 0.20 0.74 0.00 0.00 0.00 179.25 180.47 1qpw h PHE 130 N -0.21 0.39 0.00 0.00 0.04 -0.84 -1.06 116.94 115.26 1qpw h PHE 130 Ca -0.04 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1qpw h PHE 130 Cb 1.06 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1qpw h PHE 130 CO 0.14 0.25 -0.21 1.96 -0.60 0.00 0.00 178.31 179.85 1qpw h GLN 131 N 0.42 0.00 -0.32 1.51 1.08 -1.03 -0.66 115.11 116.11 1qpw h GLN 131 Ca 0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 1qpw h GLN 131 Cb -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1qpw h GLN 131 CO -0.02 0.21 -0.23 0.87 -0.95 0.00 0.00 178.83 178.71 1qpw h LYS 132 N 0.00 0.72 0.13 1.46 1.57 -1.22 -1.27 116.57 117.96 1qpw h LYS 132 Ca -0.00 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1qpw h LYS 132 Cb 0.44 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1qpw h LYS 132 CO 0.03 0.96 -0.06 0.28 -0.57 0.00 0.00 179.45 180.08 1qpw h VAL 133 N 0.48 1.00 0.00 0.50 2.07 -0.84 0.37 116.25 119.84 1qpw h VAL 133 Ca 0.06 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1qpw h VAL 133 Cb 0.78 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1qpw h VAL 133 CO 0.06 0.13 -0.23 -0.37 0.02 0.00 0.00 177.57 177.18 1qpw h VAL 134 N -0.42 0.76 -0.31 2.57 -1.51 -1.14 0.37 116.25 116.57 1qpw h VAL 134 Ca -0.02 -0.95 -0.13 0.00 -1.23 0.00 0.00 66.70 64.37 1qpw h VAL 134 Cb 0.34 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1qpw h VAL 134 CO 0.03 0.23 -0.30 0.00 -1.23 0.00 0.00 177.57 176.29 1qpw h ALA 135 N 1.77 0.46 0.24 5.19 0.00 -0.93 -2.78 119.26 123.21 1qpw h ALA 135 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1qpw h ALA 135 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1qpw h ALA 135 CO 0.03 0.49 -0.38 0.78 0.00 0.00 0.00 179.25 180.17 1qpw h GLY 136 N 0.52 -0.81 0.04 0.00 0.00 0.18 -1.55 103.07 101.45 1qpw h GLY 136 Ca 0.05 0.44 0.16 0.00 0.00 0.00 0.00 47.33 47.98 1qpw h GLY 136 CO 0.08 -0.28 0.27 -2.08 0.00 0.00 0.00 176.54 174.52 1qpw h VAL 137 N -0.68 0.59 -0.16 4.60 2.07 -0.84 -2.13 116.25 119.70 1qpw h VAL 137 Ca 0.00 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1qpw h VAL 137 Cb 0.66 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1qpw h VAL 137 CO -0.15 0.07 -0.57 0.00 0.02 0.00 0.00 177.57 176.94 1qpw h ALA 138 N 1.58 0.72 -0.26 1.67 0.00 -1.17 -0.51 119.26 121.29 1qpw h ALA 138 Ca 0.43 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1qpw h ALA 138 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qpw h ALA 138 CO -0.45 0.70 -0.13 -0.97 0.00 0.00 0.00 179.25 178.40 1qpw h ASN 139 N 0.37 0.42 0.03 0.00 -1.24 -0.88 -0.71 115.58 113.57 1qpw h ASN 139 Ca 0.00 -0.10 -0.27 0.00 0.71 0.00 0.00 56.30 56.64 1qpw h ASN 139 Cb 1.11 -0.11 0.02 0.00 0.73 0.00 0.00 38.32 40.07 1qpw h ASN 139 CO 0.10 0.58 -1.07 0.00 -1.29 0.00 0.00 177.43 175.76 1qpw h ALA 140 N 1.46 0.09 0.00 1.57 0.00 -1.12 -2.75 119.26 118.50 1qpw h ALA 140 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1qpw h ALA 140 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qpw h ALA 140 CO 0.03 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.22 1qpw n LEU 141 N -3.86 0.01 -0.28 0.00 4.77 -0.22 -2.27 117.00 115.14 1qpw n LEU 141 Ca -0.12 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.48 1qpw n LEU 141 Cb 0.90 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1qpw n LEU 141 CO 0.56 -0.18 0.27 0.00 -1.33 0.00 0.00 177.39 176.71 1qpw n ALA 142 N -1.50 3.83 0.08 -1.18 0.00 -0.31 -4.52 120.51 116.90 1qpw n ALA 142 Ca 0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 1qpw n ALA 142 Cb 0.22 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 1qpw n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qpw h HIS 143 N 1.37 -0.17 0.00 0.00 -0.00 -1.17 -1.65 115.15 113.53 1qpw h HIS 143 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1qpw h HIS 143 Cb 0.63 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1qpw h HIS 143 CO 0.00 0.10 0.00 1.17 -0.00 0.00 0.00 177.93 179.20 1qpw n LYS 144 N -5.05 0.47 0.00 5.26 3.00 -1.26 -4.31 118.16 116.26 1qpw n LYS 144 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1qpw n LYS 144 Cb 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.19 1qpw n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1qpw n TYR 145 N -0.53 0.00 0.07 5.64 4.02 -0.62 -4.85 117.16 120.89 1qpw n TYR 145 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1qpw n TYR 145 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.33 1qpw n TYR 145 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57