#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpw s LEU 2 N 0.00 3.23 1.17 7.52 2.01 -1.26 -5.02 118.68 126.34 1qpw s LEU 2 Ca 0.00 1.92 -0.17 0.00 0.01 0.00 0.00 54.13 55.89 1qpw s LEU 2 Cb 0.00 -4.54 0.27 0.00 0.01 0.00 0.00 46.19 41.93 1qpw s LEU 2 CO 0.00 -1.80 1.07 -0.94 1.01 0.00 0.00 176.35 175.69 1qpw s SER 3 N -2.95 1.11 0.19 2.29 1.04 -1.26 -4.76 113.70 109.36 1qpw s SER 3 Ca 0.64 0.90 -0.06 0.00 0.48 0.00 0.00 55.95 57.91 1qpw s SER 3 Cb -0.19 -1.34 0.12 0.00 0.10 0.00 0.00 66.02 64.70 1qpw s SER 3 CO 0.48 -4.04 1.58 0.00 0.98 0.00 0.00 173.24 172.25 1qpw h ALA 4 N -2.52 0.79 -0.24 5.32 0.00 -2.00 -1.76 119.26 118.86 1qpw h ALA 4 Ca -0.50 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.04 1qpw h ALA 4 Cb 1.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1qpw h ALA 4 CO 0.42 0.65 0.07 0.00 0.00 0.00 0.00 179.25 180.40 1qpw h ALA 5 N 0.99 0.26 -0.44 0.00 0.00 -2.00 -2.55 119.26 115.52 1qpw h ALA 5 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1qpw h ALA 5 Cb 0.81 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1qpw h ALA 5 CO 0.07 -0.34 0.22 -0.44 0.00 0.00 0.00 179.25 178.76 1qpw h ASP 6 N 0.18 0.33 -0.76 0.00 3.32 -1.80 -1.10 116.42 116.59 1qpw h ASP 6 Ca 0.11 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1qpw h ASP 6 Cb 0.08 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1qpw h ASP 6 CO -0.12 0.23 0.50 0.11 -1.72 0.00 0.00 179.24 178.25 1qpw h LYS 7 N 0.45 0.91 -0.27 3.56 1.57 -1.23 -0.59 116.57 120.97 1qpw h LYS 7 Ca 0.19 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1qpw h LYS 7 Cb 0.09 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1qpw h LYS 7 CO -0.13 0.60 -0.37 0.00 -0.57 0.00 0.00 179.45 178.98 1qpw h ALA 8 N 1.55 0.41 -0.07 3.86 0.00 -0.81 0.17 119.26 124.38 1qpw h ALA 8 Ca 0.30 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1qpw h ALA 8 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qpw h ALA 8 CO -0.08 0.50 0.01 -0.91 0.00 0.00 0.00 179.25 178.76 1qpw h ASN 9 N 0.48 0.10 -0.94 0.00 2.35 -0.61 -2.16 115.58 114.80 1qpw h ASN 9 Ca 0.03 -0.26 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1qpw h ASN 9 Cb 0.96 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.24 1qpw h ASN 9 CO 0.09 0.34 0.60 0.58 -1.65 0.00 0.00 177.43 177.38 1qpw h VAL 10 N -0.13 1.08 -0.03 2.81 2.07 -1.03 0.05 116.25 121.07 1qpw h VAL 10 Ca 0.02 -0.38 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 1qpw h VAL 10 Cb 0.28 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1qpw h VAL 10 CO 0.00 0.20 -0.82 0.11 0.02 0.00 0.00 177.57 177.09 1qpw h LYS 11 N 1.11 0.30 0.08 1.57 1.57 -0.76 -1.89 116.57 118.55 1qpw h LYS 11 Ca 0.40 -0.28 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 1qpw h LYS 11 Cb 0.14 0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.54 1qpw h LYS 11 CO -0.16 0.96 -0.79 0.00 -0.57 0.00 0.00 179.45 178.89 1qpw h ALA 12 N 0.95 -0.01 -0.48 3.86 0.00 -1.07 -1.59 119.26 120.91 1qpw h ALA 12 Ca -0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 1qpw h ALA 12 Cb 1.42 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1qpw h ALA 12 CO 0.13 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1qpw h ALA 13 N 0.22 0.65 0.00 0.00 0.00 -0.94 0.38 119.26 119.57 1qpw h ALA 13 Ca -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1qpw h ALA 13 Cb 1.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1qpw h ALA 13 CO 0.15 0.45 -0.04 2.35 0.00 0.00 0.00 179.25 182.16 1qpw h TRP 14 N 0.71 0.00 -0.16 0.00 2.91 -1.47 -2.67 115.95 115.27 1qpw h TRP 14 Ca 0.14 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.99 1qpw h TRP 14 Cb 0.50 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1qpw h TRP 14 CO 0.04 0.04 -0.55 0.78 -1.03 0.00 0.00 178.44 177.72 1qpw h GLY 15 N 3.39 0.73 1.46 2.65 0.00 -0.03 -3.20 103.07 108.06 1qpw h GLY 15 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1qpw h GLY 15 CO 0.01 0.86 -0.30 0.58 0.00 0.00 0.00 176.54 177.68 1qpw n LYS 16 N -4.13 0.06 -0.08 4.80 -0.00 0.12 -2.63 118.16 116.29 1qpw n LYS 16 Ca -0.07 0.03 -0.07 0.00 -0.00 0.00 0.00 58.31 58.20 1qpw n LYS 16 Cb 0.62 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 1qpw n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1qpw h VAL 17 N 0.00 0.82 0.00 0.58 2.07 -1.50 -3.46 116.25 114.76 1qpw h VAL 17 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1qpw h VAL 17 Cb 0.55 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1qpw h VAL 17 CO 0.00 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1qpw n GLY 18 N -1.22 3.19 0.27 2.17 0.00 -1.08 -2.88 105.19 105.64 1qpw n GLY 18 Ca 0.00 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.04 1qpw n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qpw h GLY 19 N 0.00 0.00 1.03 -0.02 0.00 -1.90 -2.95 103.07 99.23 1qpw h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qpw h GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1qpw n GLN 20 N -3.01 0.88 -0.19 4.80 1.13 -1.14 -4.02 117.38 115.83 1qpw n GLN 20 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1qpw n GLN 20 Cb 0.28 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.22 1qpw n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qpw h ALA 21 N 3.79 0.75 0.07 -1.58 0.00 -1.73 -1.17 119.26 119.40 1qpw h ALA 21 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qpw h ALA 21 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qpw h ALA 21 CO 0.00 -0.15 -0.04 0.78 0.00 0.00 0.00 179.25 179.85 1qpw h GLY 22 N 0.45 -0.10 0.59 0.00 0.00 -1.82 -2.27 103.07 99.92 1qpw h GLY 22 Ca 0.28 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1qpw h GLY 22 CO -0.25 -0.04 0.27 0.00 0.00 0.00 0.00 176.54 176.52 1qpw h ALA 23 N 0.75 0.74 -0.43 3.60 0.00 -1.75 -1.88 119.26 120.28 1qpw h ALA 23 Ca -0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1qpw h ALA 23 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1qpw h ALA 23 CO 0.02 -0.11 -0.13 0.45 0.00 0.00 0.00 179.25 179.48 1qpw h HIS 24 N 0.50 0.88 -0.48 0.00 3.86 -1.03 -1.60 115.15 117.28 1qpw h HIS 24 Ca 0.27 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1qpw h HIS 24 Cb 0.24 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1qpw h HIS 24 CO -0.12 0.88 0.04 0.78 0.86 0.00 0.00 177.93 180.36 1qpw h GLY 25 N 0.97 0.89 0.55 2.45 0.00 -1.08 0.22 103.07 107.07 1qpw h GLY 25 Ca 0.12 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1qpw h GLY 25 CO 0.04 0.57 -0.29 0.00 0.00 0.00 0.00 176.54 176.87 1qpw h ALA 26 N 0.94 -0.52 0.00 3.60 0.00 -1.11 -1.66 119.26 120.51 1qpw h ALA 26 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1qpw h ALA 26 Cb 0.45 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1qpw h ALA 26 CO 0.02 -0.84 -0.16 1.49 0.00 0.00 0.00 179.25 179.76 1qpw h GLU 27 N -0.53 0.00 -0.30 0.00 4.81 -1.21 -2.50 114.58 114.86 1qpw h GLU 27 Ca 0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1qpw h GLU 27 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1qpw h GLU 27 CO -0.14 0.16 -0.17 0.00 -0.73 0.00 0.00 179.01 178.14 1qpw h ALA 28 N 1.84 0.42 -0.72 2.92 0.00 -0.05 -1.76 119.26 121.90 1qpw h ALA 28 Ca -0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1qpw h ALA 28 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1qpw h ALA 28 CO 0.02 0.33 0.19 -0.07 0.00 0.00 0.00 179.25 179.72 1qpw h LEU 29 N 0.38 1.09 0.28 0.00 3.38 -1.19 -1.82 115.31 117.43 1qpw h LEU 29 Ca 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1qpw h LEU 29 Cb 0.70 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1qpw h LEU 29 CO 0.05 1.03 -0.19 -0.33 0.09 0.00 0.00 178.44 179.09 1qpw h GLU 30 N 1.09 -0.46 -0.06 1.13 5.08 -1.37 -0.88 114.58 119.11 1qpw h GLU 30 Ca 0.23 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1qpw h GLU 30 Cb 0.36 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1qpw h GLU 30 CO 0.00 -0.30 0.05 0.00 -1.00 0.00 0.00 179.01 177.76 1qpw h ARG 31 N -0.47 0.00 0.22 2.33 3.08 -1.13 -1.49 114.38 116.91 1qpw h ARG 31 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.70 1qpw h ARG 31 Cb 0.40 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.48 1qpw h ARG 31 CO 0.01 0.00 -1.44 1.98 -1.07 0.00 0.00 179.97 179.45 1qpw h MET 32 N 0.00 0.46 0.20 0.04 4.05 -1.08 -0.28 114.93 118.32 1qpw h MET 32 Ca 0.03 -0.79 -0.01 0.00 -0.28 0.00 0.00 59.70 58.65 1qpw h MET 32 Cb 0.13 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1qpw h MET 32 CO -0.00 1.37 -0.10 0.74 0.23 0.00 0.00 176.91 179.15 1qpw h PHE 33 N 0.13 -0.25 0.30 1.39 0.04 -0.62 0.28 116.94 118.20 1qpw h PHE 33 Ca -0.23 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 1qpw h PHE 33 Cb 2.12 0.08 0.00 0.00 2.20 0.00 0.00 35.95 40.35 1qpw h PHE 33 CO 0.11 0.01 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.62 1qpw h LEU 34 N -0.51 -0.34 -0.74 1.54 4.07 -1.41 -3.15 115.31 114.78 1qpw h LEU 34 Ca -0.03 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.80 1qpw h LEU 34 Cb 0.38 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1qpw h LEU 34 CO 0.05 -0.22 -0.38 1.23 -1.08 0.00 0.00 178.44 178.04 1qpw h GLY 35 N -0.42 0.57 -6.87 0.83 0.00 -1.10 -3.39 103.07 92.68 1qpw h GLY 35 Ca -0.04 -0.55 -0.61 0.00 0.00 0.00 0.00 47.33 46.14 1qpw h GLY 35 CO 0.07 0.50 -0.76 -1.36 0.00 0.00 0.00 176.54 174.98 1qpw s PHE 36 N -4.27 1.89 0.25 5.60 0.08 0.99 -5.00 117.98 117.52 1qpw s PHE 36 Ca -0.07 -2.42 0.29 0.00 0.12 0.00 0.00 56.93 54.85 1qpw s PHE 36 Cb 0.13 -1.74 1.30 0.00 -0.57 0.00 0.00 43.02 42.13 1qpw s PHE 36 CO 0.81 -0.77 1.98 -1.35 -0.10 0.00 0.00 175.22 175.79 1qpw h PRO 37 N 6.48 0.00 0.00 0.24 0.11 -1.73 0.11 132.00 137.21 1qpw h PRO 37 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1qpw h PRO 37 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1qpw h PRO 37 CO 0.47 0.13 -0.02 1.79 -0.21 0.00 0.00 178.00 180.16 1qpw h THR 38 N 0.00 0.32 0.00 -1.15 1.35 -1.91 -1.69 112.91 109.83 1qpw h THR 38 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1qpw h THR 38 Cb 0.51 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1qpw h THR 38 CO 0.02 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 175.65 1qpw n THR 39 N -3.50 0.47 0.31 6.82 -2.24 0.03 -3.14 114.28 113.02 1qpw n THR 39 Ca -0.03 -0.03 0.17 0.00 -2.27 0.00 0.00 64.05 61.89 1qpw n THR 39 Cb 0.11 -0.70 0.76 0.00 -2.10 0.00 0.00 70.33 68.40 1qpw n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qpw h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.48 -3.09 116.57 112.79 1qpw h LYS 40 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1qpw h LYS 40 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1qpw h LYS 40 CO 0.00 0.00 -0.19 1.79 -0.57 0.00 0.00 179.45 180.48 1qpw h THR 41 N 0.00 0.61 0.00 -0.16 1.35 -1.74 -2.88 112.91 110.09 1qpw h THR 41 Ca 0.00 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 1qpw h THR 41 Cb 0.34 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1qpw h THR 41 CO 0.00 0.19 -0.09 1.88 -0.25 0.00 0.00 175.52 177.25 1qpw h TYR 42 N 0.00 0.00 -0.86 4.73 -1.99 -1.81 -3.35 116.97 113.69 1qpw h TYR 42 Ca -0.00 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.14 1qpw h TYR 42 Cb 0.56 0.00 -0.32 0.00 2.00 0.00 0.00 36.73 38.96 1qpw h TYR 42 CO 0.00 0.09 0.22 1.19 -0.00 0.00 0.00 178.16 179.66 1qpw n PHE 43 N -3.20 2.88 0.21 4.88 3.01 -1.09 -4.86 117.46 119.29 1qpw n PHE 43 Ca 0.01 -2.58 0.05 0.00 1.01 0.00 0.00 57.45 55.94 1qpw n PHE 43 Cb 0.39 -0.98 0.45 0.00 -0.01 0.00 0.00 39.48 39.32 1qpw n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1qpw h PRO 44 N 1.92 0.00 0.00 -1.08 0.13 -1.70 0.63 132.00 131.89 1qpw h PRO 44 Ca 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.63 1qpw h PRO 44 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qpw h PRO 44 CO 1.19 0.29 0.00 -2.39 -0.23 0.00 0.00 178.00 176.86 1qpw n HIS 45 N -4.07 0.68 -3.05 1.56 1.44 -1.26 -4.84 115.22 105.68 1qpw n HIS 45 Ca -0.02 0.30 -0.20 0.00 -2.01 0.00 0.00 57.72 55.79 1qpw n HIS 45 Cb 0.34 -0.99 0.01 0.00 0.12 0.00 0.00 29.99 29.48 1qpw n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1qpw s PHE 46 N -3.37 3.04 -0.21 -1.40 0.40 0.21 -5.07 117.98 111.58 1qpw s PHE 46 Ca 0.02 -0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1qpw s PHE 46 Cb 0.07 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 1qpw s PHE 46 CO 0.28 -0.39 0.06 1.21 0.70 0.00 0.00 175.22 177.08 1qpw s ASN 47 N -4.28 5.37 -0.35 1.36 2.47 -1.26 -5.02 114.94 113.24 1qpw s ASN 47 Ca 0.51 -0.06 0.07 0.00 0.42 0.00 0.00 52.86 53.80 1qpw s ASN 47 Cb -0.10 -1.94 0.50 0.00 -1.45 0.00 0.00 41.25 38.26 1qpw s ASN 47 CO 0.35 0.08 1.50 0.18 -3.72 0.00 0.00 177.10 175.50 1qpw n LEU 48 N 4.16 4.85 -4.84 3.21 4.77 -1.26 -4.40 117.00 123.49 1qpw n LEU 48 Ca -0.16 -4.05 -0.33 0.00 -0.03 0.00 0.00 56.01 51.44 1qpw n LEU 48 Cb 0.52 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1qpw n LEU 48 CO 0.33 1.46 0.48 -0.94 -1.33 0.00 0.00 177.39 177.40 1qpw s SER 49 N -2.62 6.83 0.16 -1.43 1.04 -1.26 -4.97 113.70 111.46 1qpw s SER 49 Ca 0.49 1.40 -0.34 0.00 0.48 0.00 0.00 55.95 57.98 1qpw s SER 49 Cb 0.42 -2.42 -0.15 0.00 0.10 0.00 0.00 66.02 63.97 1qpw s SER 49 CO 0.01 -0.24 1.31 1.57 0.98 0.00 0.00 173.24 176.87 1qpw n HIS 50 N -0.40 1.66 -1.01 5.02 -0.00 -1.26 -0.10 115.22 119.13 1qpw n HIS 50 Ca 0.04 0.56 -0.00 0.00 0.46 0.00 0.00 57.72 58.78 1qpw n HIS 50 Cb 0.53 -2.36 -0.00 0.00 -0.12 0.00 0.00 29.99 28.04 1qpw n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1qpw n GLY 51 N 2.36 0.43 3.74 1.57 0.00 -1.26 -5.01 105.19 107.01 1qpw n GLY 51 Ca 0.15 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1qpw n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qpw n SER 52 N -0.06 3.11 0.00 1.61 2.88 0.86 -4.93 113.62 117.09 1qpw n SER 52 Ca -0.00 1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 58.65 1qpw n SER 52 Cb 0.11 -1.56 0.19 0.00 -0.75 0.00 0.00 64.21 62.21 1qpw n SER 52 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1qpw h ASP 53 N 2.39 0.52 -0.28 -3.46 5.19 -1.90 -1.25 116.42 117.63 1qpw h ASP 53 Ca -0.49 -0.17 -0.15 0.00 -0.62 0.00 0.00 57.03 55.60 1qpw h ASP 53 Cb 1.27 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1qpw h ASP 53 CO 0.61 0.75 -0.40 1.56 -3.12 0.00 0.00 179.24 178.65 1qpw h GLN 54 N 0.46 0.76 -0.47 3.56 4.20 -1.92 -1.07 115.11 120.63 1qpw h GLN 54 Ca 0.07 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.27 1qpw h GLN 54 Cb 0.66 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1qpw h GLN 54 CO 0.05 1.07 0.01 0.28 -0.67 0.00 0.00 178.83 179.58 1qpw h VAL 55 N 0.51 1.24 -0.35 -0.54 2.07 -1.73 0.87 116.25 118.32 1qpw h VAL 55 Ca 0.03 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 1qpw h VAL 55 Cb 0.99 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1qpw h VAL 55 CO 0.09 0.34 -0.34 0.50 0.02 0.00 0.00 177.57 178.18 1qpw h LYS 56 N 0.72 0.80 -0.12 1.57 3.64 -0.92 -0.34 116.57 121.92 1qpw h LYS 56 Ca 0.14 -0.39 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1qpw h LYS 56 Cb 0.42 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1qpw h LYS 56 CO 0.02 1.02 -0.54 0.00 -2.27 0.00 0.00 179.45 177.68 1qpw h ALA 57 N 0.94 0.22 0.00 5.00 0.00 -1.09 -2.80 119.26 121.53 1qpw h ALA 57 Ca 0.07 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1qpw h ALA 57 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1qpw h ALA 57 CO 0.08 0.43 -0.31 1.25 0.00 0.00 0.00 179.25 180.70 1qpw h HIS 58 N 0.20 0.00 -0.20 0.00 -0.00 -0.72 -2.87 115.15 111.55 1qpw h HIS 58 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1qpw h HIS 58 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 1qpw h HIS 58 CO 0.11 0.31 -0.20 0.78 -0.00 0.00 0.00 177.93 178.92 1qpw h GLY 59 N 2.47 0.38 0.90 5.26 0.00 -0.94 -1.96 103.07 109.19 1qpw h GLY 59 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1qpw h GLY 59 CO 0.04 0.26 -0.22 -1.61 0.00 0.00 0.00 176.54 175.01 1qpw h GLN 60 N 0.32 0.60 -0.73 4.80 5.75 -1.29 -2.48 115.11 122.08 1qpw h GLN 60 Ca 0.06 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1qpw h GLN 60 Cb 0.55 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1qpw h GLN 60 CO 0.04 0.89 0.39 0.87 -2.65 0.00 0.00 178.83 178.37 1qpw h LYS 61 N 0.32 1.01 -0.26 1.69 1.57 -1.29 0.10 116.57 119.71 1qpw h LYS 61 Ca 0.05 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1qpw h LYS 61 Cb 0.76 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1qpw h LYS 61 CO 0.06 0.75 -0.03 0.28 -0.57 0.00 0.00 179.45 179.93 1qpw h VAL 62 N 1.02 1.27 -0.12 0.50 2.07 -1.35 -1.83 116.25 117.81 1qpw h VAL 62 Ca 0.26 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1qpw h VAL 62 Cb 0.04 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1qpw h VAL 62 CO -0.04 0.31 -0.45 0.00 0.02 0.00 0.00 177.57 177.41 1qpw h ALA 63 N 0.79 1.01 -0.53 1.67 0.00 -0.92 -1.87 119.26 119.41 1qpw h ALA 63 Ca 0.07 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1qpw h ALA 63 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1qpw h ALA 63 CO 0.02 0.63 -0.12 -0.44 0.00 0.00 0.00 179.25 179.34 1qpw h ASP 64 N 0.24 1.02 0.02 0.00 3.32 -0.66 -0.18 116.42 120.18 1qpw h ASP 64 Ca 0.02 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1qpw h ASP 64 Cb 0.90 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1qpw h ASP 64 CO 0.07 1.13 -0.02 0.00 -1.72 0.00 0.00 179.24 178.70 1qpw h ALA 65 N 0.95 1.89 0.00 3.45 0.00 -0.64 -0.85 119.26 124.06 1qpw h ALA 65 Ca 0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1qpw h ALA 65 Cb 0.68 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1qpw h ALA 65 CO 0.05 0.02 -1.07 -0.07 0.00 0.00 0.00 179.25 178.18 1qpw h LEU 66 N 0.00 0.00 -0.34 0.00 3.38 -0.54 -2.42 115.31 115.39 1qpw h LEU 66 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1qpw h LEU 66 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1qpw h LEU 66 CO 0.00 0.89 -0.19 0.74 0.09 0.00 0.00 178.44 179.97 1qpw h THR 67 N 0.00 1.29 -0.03 0.22 2.02 -0.15 0.90 112.91 117.17 1qpw h THR 67 Ca -0.07 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 65.82 1qpw h THR 67 Cb 1.74 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 69.51 1qpw h THR 67 CO 0.10 0.43 -0.19 0.50 0.37 0.00 0.00 175.52 176.73 1qpw h LYS 68 N 0.51 -0.29 0.00 6.66 3.64 -1.15 0.18 116.57 126.12 1qpw h LYS 68 Ca 0.07 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1qpw h LYS 68 Cb 0.74 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1qpw h LYS 68 CO 0.06 -0.19 -0.05 0.00 -2.27 0.00 0.00 179.45 177.00 1qpw h ALA 69 N 0.63 1.28 0.08 5.00 0.00 -1.35 0.48 119.26 125.38 1qpw h ALA 69 Ca 0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1qpw h ALA 69 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qpw h ALA 69 CO -0.20 0.06 -1.13 0.28 0.00 0.00 0.00 179.25 178.25 1qpw h VAL 70 N 0.00 1.53 0.01 0.00 2.07 0.32 -3.15 116.25 117.03 1qpw h VAL 70 Ca -0.00 -3.03 -0.00 0.00 0.82 0.00 0.00 66.70 64.49 1qpw h VAL 70 Cb 0.16 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1qpw h VAL 70 CO 0.01 0.88 -0.00 1.23 0.02 0.00 0.00 177.57 179.70 1qpw h GLY 71 N 1.84 -0.01 -5.95 2.17 0.00 0.13 -3.31 103.07 97.96 1qpw h GLY 71 Ca -0.10 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.51 1qpw h GLY 71 CO 0.18 -0.00 0.42 1.42 0.00 0.00 0.00 176.54 178.55 1qpw n HIS 72 N -5.06 3.21 0.17 5.60 8.25 -0.17 -4.86 115.22 122.37 1qpw n HIS 72 Ca -0.07 -3.09 0.10 0.00 -0.26 0.00 0.00 57.72 54.40 1qpw n HIS 72 Cb 0.07 -0.94 0.56 0.00 1.12 0.00 0.00 29.99 30.79 1qpw n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qpw h LEU 73 N 3.84 0.00 0.00 2.41 3.38 -1.64 -2.28 115.31 121.02 1qpw h LEU 73 Ca 0.38 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.16 1qpw h LEU 73 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1qpw h LEU 73 CO 1.06 0.00 -1.82 0.47 0.09 0.00 0.00 178.44 178.24 1qpw n ASP 74 N -2.25 1.92 -0.63 -0.43 9.92 -1.26 -4.29 116.55 119.53 1qpw n ASP 74 Ca -0.01 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.26 1qpw n ASP 74 Cb 0.12 0.93 0.05 0.00 -0.64 0.00 0.00 41.12 41.58 1qpw n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1qpw n ASP 75 N -2.39 1.50 -0.03 -2.24 2.03 -0.90 -4.69 116.55 109.84 1qpw n ASP 75 Ca -0.18 -2.11 -0.08 0.00 0.52 0.00 0.00 54.79 52.94 1qpw n ASP 75 Cb 0.82 -0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 40.73 1qpw n ASP 75 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1qpw h LEU 76 N 0.54 -0.43 -1.59 -2.67 5.85 -1.63 0.45 115.31 115.82 1qpw h LEU 76 Ca 0.00 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1qpw h LEU 76 Cb 0.63 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1qpw h LEU 76 CO 0.06 -0.17 0.52 -0.65 -0.34 0.00 0.00 178.44 177.86 1qpw h PRO 77 N -0.13 0.38 0.13 5.25 0.11 -1.91 -2.19 132.00 133.64 1qpw h PRO 77 Ca 0.11 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.96 1qpw h PRO 77 Cb 0.30 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.33 1qpw h PRO 77 CO -0.27 0.25 -1.20 0.78 -0.21 0.00 0.00 178.00 177.35 1qpw h GLY 78 N 0.39 0.31 0.21 -0.55 0.00 -1.12 -3.30 103.07 99.00 1qpw h GLY 78 Ca 0.39 -0.79 0.06 0.00 0.00 0.00 0.00 47.33 46.98 1qpw h GLY 78 CO -0.12 0.69 -0.24 0.00 0.00 0.00 0.00 176.54 176.87 1qpw h ALA 79 N -0.00 -0.16 -0.64 3.60 0.00 -0.23 -3.15 119.26 118.68 1qpw h ALA 79 Ca -0.24 0.06 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1qpw h ALA 79 Cb 1.73 0.48 -0.20 0.00 0.00 0.00 0.00 17.79 19.80 1qpw h ALA 79 CO 0.10 -0.68 0.54 1.28 0.00 0.00 0.00 179.25 180.49 1qpw n LEU 80 N -5.37 6.72 -0.07 0.00 4.77 -0.83 -4.68 117.00 117.55 1qpw n LEU 80 Ca -0.02 -4.15 -0.13 0.00 -0.03 0.00 0.00 56.01 51.68 1qpw n LEU 80 Cb 0.29 -1.18 -0.12 0.00 -2.33 0.00 0.00 43.42 40.08 1qpw n LEU 80 CO 0.16 1.68 0.36 0.77 -1.33 0.00 0.00 177.39 179.03 1qpw h SER 81 N 2.82 0.00 -0.47 -1.43 4.64 -1.62 -2.06 113.55 115.43 1qpw h SER 81 Ca 0.43 -0.94 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1qpw h SER 81 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1qpw h SER 81 CO 1.00 0.98 0.25 0.00 -0.87 0.00 0.00 176.83 178.19 1qpw h ALA 82 N -0.06 1.49 0.05 5.18 0.00 -1.87 -2.57 119.26 121.49 1qpw h ALA 82 Ca -0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1qpw h ALA 82 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1qpw h ALA 82 CO -0.00 0.41 -1.08 -0.07 0.00 0.00 0.00 179.25 178.50 1qpw h LEU 83 N 0.71 0.18 -0.84 0.00 3.38 -1.90 -0.79 115.31 116.05 1qpw h LEU 83 Ca 0.18 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1qpw h LEU 83 Cb 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1qpw h LEU 83 CO -0.03 1.13 -0.05 0.77 0.09 0.00 0.00 178.44 180.36 1qpw h SER 84 N 0.03 0.79 0.76 -0.43 4.64 -0.97 -1.92 113.55 116.46 1qpw h SER 84 Ca -0.06 -0.21 -0.25 0.00 -0.47 0.00 0.00 61.79 60.79 1qpw h SER 84 Cb 1.83 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 1qpw h SER 84 CO 0.16 0.88 -1.16 0.44 -0.87 0.00 0.00 176.83 176.29 1qpw h ASP 85 N 0.74 0.28 -0.59 4.97 3.32 -1.54 -1.98 116.42 121.62 1qpw h ASP 85 Ca 0.13 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1qpw h ASP 85 Cb 0.53 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1qpw h ASP 85 CO 0.03 1.23 0.10 0.25 -1.72 0.00 0.00 179.24 179.13 1qpw h LEU 86 N 0.05 0.94 0.27 1.55 5.85 -1.04 -1.99 115.31 120.93 1qpw h LEU 86 Ca -0.09 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1qpw h LEU 86 Cb 1.90 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1qpw h LEU 86 CO 0.18 0.96 -0.13 0.45 -0.34 0.00 0.00 178.44 179.56 1qpw h HIS 87 N 0.88 -0.33 -0.43 1.25 3.86 -1.38 0.77 115.15 119.77 1qpw h HIS 87 Ca 0.18 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1qpw h HIS 87 Cb 0.42 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1qpw h HIS 87 CO 0.03 -0.01 -0.11 0.00 0.86 0.00 0.00 177.93 178.70 1qpw h ALA 88 N -0.66 0.59 0.07 2.45 0.00 -1.48 -0.02 119.26 120.20 1qpw h ALA 88 Ca -0.04 -0.33 -0.37 0.00 0.00 0.00 0.00 54.91 54.17 1qpw h ALA 88 Cb 0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1qpw h ALA 88 CO 0.06 0.48 -2.17 1.58 0.00 0.00 0.00 179.25 179.20 1qpw n HIS 89 N -4.28 0.76 -0.12 0.00 -0.00 -0.77 -3.68 115.22 107.12 1qpw n HIS 89 Ca -0.01 0.17 -0.23 0.00 -0.00 0.00 0.00 57.72 57.65 1qpw n HIS 89 Cb 0.38 -1.10 -0.11 0.00 -0.00 0.00 0.00 29.99 29.16 1qpw n HIS 89 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1qpw n LYS 90 N -3.43 0.63 0.01 1.57 4.81 -1.04 -4.47 118.16 116.24 1qpw n LYS 90 Ca -0.38 0.23 0.11 0.00 -0.87 0.00 0.00 58.31 57.41 1qpw n LYS 90 Cb 1.01 -1.54 0.09 0.00 0.02 0.00 0.00 35.03 34.61 1qpw n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1qpw n LEU 91 N -3.74 0.66 -4.21 3.14 4.77 0.26 -4.96 117.00 112.91 1qpw n LEU 91 Ca -0.47 -0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.04 1qpw n LEU 91 Cb 0.93 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1qpw n LEU 91 CO 0.18 0.12 -0.09 0.54 -1.33 0.00 0.00 177.39 176.81 1qpw n ARG 92 N -1.67 -2.90 -1.84 3.23 3.00 -0.11 -4.86 116.66 111.50 1qpw n ARG 92 Ca 0.04 0.35 -0.42 0.00 -0.01 0.00 0.00 57.85 57.81 1qpw n ARG 92 Cb 0.37 -4.90 -0.03 0.00 0.00 0.00 0.00 32.46 27.90 1qpw n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1qpw s VAL 93 N -3.46 2.78 0.22 1.55 1.01 -0.66 -4.93 120.40 116.91 1qpw s VAL 93 Ca 0.59 0.31 -0.32 0.00 0.00 0.00 0.00 61.98 62.55 1qpw s VAL 93 Cb -0.32 -3.20 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 1qpw s VAL 93 CO 0.93 0.00 1.50 -0.67 0.00 0.00 0.00 175.10 176.87 1qpw n ASP 94 N 5.42 3.05 -0.31 3.32 4.64 -1.26 -4.84 116.55 126.57 1qpw n ASP 94 Ca 0.16 1.12 0.17 0.00 -1.38 0.00 0.00 54.79 54.87 1qpw n ASP 94 Cb 0.39 -1.45 0.36 0.00 -1.04 0.00 0.00 41.12 39.38 1qpw n ASP 94 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1qpw h PRO 95 N 5.01 0.19 -0.40 -0.67 0.11 -1.99 -2.89 132.00 131.35 1qpw h PRO 95 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1qpw h PRO 95 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1qpw h PRO 95 CO 0.82 0.13 0.22 0.28 -0.21 0.00 0.00 178.00 179.23 1qpw h VAL 96 N 0.20 1.13 -0.52 3.15 2.07 -2.01 -2.77 116.25 117.50 1qpw h VAL 96 Ca 0.63 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.83 1qpw h VAL 96 Cb 1.36 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1qpw h VAL 96 CO -0.68 0.14 0.34 0.78 0.02 0.00 0.00 177.57 178.17 1qpw h ASN 97 N 0.56 0.59 -0.19 0.57 2.35 -1.89 0.64 115.58 118.20 1qpw h ASN 97 Ca 0.14 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1qpw h ASN 97 Cb 0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1qpw h ASN 97 CO -0.02 0.43 -0.18 -0.26 -1.65 0.00 0.00 177.43 175.75 1qpw h PHE 98 N 0.70 0.69 -0.17 1.19 0.04 -1.65 -0.47 116.94 117.26 1qpw h PHE 98 Ca 0.19 -0.13 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 1qpw h PHE 98 Cb -0.08 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 1qpw h PHE 98 CO 0.00 0.76 -0.27 0.87 -0.60 0.00 0.00 178.31 179.07 1qpw h LYS 99 N 0.56 0.33 -0.10 1.51 1.57 -0.96 -2.34 116.57 117.14 1qpw h LYS 99 Ca 0.09 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1qpw h LYS 99 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1qpw h LYS 99 CO 0.04 0.58 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.25 1qpw h LEU 100 N 0.29 0.32 -0.22 2.94 3.38 -0.80 -2.34 115.31 118.88 1qpw h LEU 100 Ca 0.04 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.47 1qpw h LEU 100 Cb 0.64 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1qpw h LEU 100 CO 0.05 0.81 0.14 0.25 0.09 0.00 0.00 178.44 179.78 1qpw h LEU 101 N -0.15 0.23 -0.55 1.67 5.85 -1.13 -1.92 115.31 119.31 1qpw h LEU 101 Ca 0.01 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1qpw h LEU 101 Cb 0.75 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1qpw h LEU 101 CO 0.04 0.17 0.06 0.28 -0.34 0.00 0.00 178.44 178.65 1qpw h SER 102 N 0.29 -0.12 -0.40 1.25 0.02 -1.47 0.11 113.55 113.23 1qpw h SER 102 Ca 0.08 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 1qpw h SER 102 Cb -0.02 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 1qpw h SER 102 CO -0.03 -0.04 0.01 -0.74 -1.14 0.00 0.00 176.83 174.89 1qpw h HIS 103 N 0.18 -0.01 0.00 3.45 -0.00 -0.83 -2.07 115.15 115.87 1qpw h HIS 103 Ca 0.28 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.64 1qpw h HIS 103 Cb 0.43 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1qpw h HIS 103 CO -0.29 -0.07 -0.23 0.00 -0.00 0.00 0.00 177.93 177.34 1qpw h LEU 105 N 0.00 0.94 -0.63 0.00 3.38 -0.29 -1.73 115.31 116.98 1qpw h LEU 105 Ca -0.00 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 1qpw h LEU 105 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1qpw h LEU 105 CO 0.03 1.31 0.07 -0.07 0.09 0.00 0.00 178.44 179.87 1qpw h LEU 106 N 0.60 1.02 -0.44 1.67 4.07 -1.08 -1.96 115.31 119.18 1qpw h LEU 106 Ca 0.00 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 1qpw h LEU 106 Cb 1.17 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1qpw h LEU 106 CO 0.12 1.04 0.15 0.58 -1.08 0.00 0.00 178.44 179.26 1qpw h VAL 107 N 0.96 1.22 -0.97 1.22 2.07 -1.33 -1.49 116.25 117.94 1qpw h VAL 107 Ca 0.19 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1qpw h VAL 107 Cb 0.47 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1qpw h VAL 107 CO 0.02 0.25 0.64 0.74 0.02 0.00 0.00 177.57 179.24 1qpw h THR 108 N 0.58 1.23 -0.05 2.57 2.02 -1.21 -1.86 112.91 116.19 1qpw h THR 108 Ca 0.14 -0.44 -0.21 0.00 0.77 0.00 0.00 66.41 66.68 1qpw h THR 108 Cb 0.24 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1qpw h THR 108 CO -0.01 0.23 -0.83 -0.07 0.37 0.00 0.00 175.52 175.22 1qpw h LEU 109 N 1.29 0.53 -0.21 2.58 3.38 -1.21 -1.73 115.31 119.94 1qpw h LEU 109 Ca 0.36 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1qpw h LEU 109 Cb -0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1qpw h LEU 109 CO -0.09 1.15 0.06 0.00 0.09 0.00 0.00 178.44 179.66 1qpw h ALA 110 N 0.82 0.27 -0.26 1.53 0.00 -1.17 -1.16 119.26 119.30 1qpw h ALA 110 Ca -0.05 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1qpw h ALA 110 Cb 1.44 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1qpw h ALA 110 CO 0.14 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.37 1qpw h ALA 111 N 0.88 0.28 -0.00 0.00 0.00 -1.32 -2.60 119.26 116.50 1qpw h ALA 111 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qpw h ALA 111 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qpw h ALA 111 CO -0.00 -0.35 -0.27 0.72 0.00 0.00 0.00 179.25 179.35 1qpw n HIS 112 N -5.06 0.00 -2.91 0.00 8.25 -0.66 -4.50 115.22 110.34 1qpw n HIS 112 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1qpw n HIS 112 Cb 0.10 -0.35 0.02 0.00 1.12 0.00 0.00 29.99 30.88 1qpw n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1qpw n HIS 113 N -1.48 -0.04 -0.30 4.41 -0.00 -0.45 -4.98 115.22 112.38 1qpw n HIS 113 Ca 0.06 -3.11 0.10 0.00 -0.00 0.00 0.00 57.72 54.78 1qpw n HIS 113 Cb 0.34 -0.00 0.33 0.00 -0.00 0.00 0.00 29.99 30.65 1qpw n HIS 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qpw h PRO 114 N 2.91 0.78 -0.51 -0.41 0.13 -1.70 -1.15 132.00 132.06 1qpw h PRO 114 Ca -0.03 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.16 1qpw h PRO 114 Cb 1.09 -0.18 -0.09 0.00 0.13 0.00 0.00 31.00 31.95 1qpw h PRO 114 CO 0.41 0.51 -0.03 0.38 -0.23 0.00 0.00 178.00 179.04 1qpw h ASP 115 N 0.80 -0.29 1.37 1.44 2.03 -1.94 -3.23 116.42 116.61 1qpw h ASP 115 Ca 0.47 0.13 -0.04 0.00 -0.73 0.00 0.00 57.03 56.86 1qpw h ASP 115 Cb 0.64 0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.38 1qpw h ASP 115 CO -0.23 -0.10 -0.64 0.44 -1.03 0.00 0.00 179.24 177.67 1qpw h ASP 116 N 0.08 0.00 -1.21 4.15 3.45 -1.62 -3.42 116.42 117.85 1qpw h ASP 116 Ca 0.25 0.00 -0.74 0.00 0.43 0.00 0.00 57.03 56.97 1qpw h ASP 116 Cb 0.39 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.03 1qpw h ASP 116 CO -0.45 0.16 2.15 0.33 -1.57 0.00 0.00 179.24 179.85 1qpw n PHE 117 N -2.93 3.47 -2.29 4.55 7.35 -1.06 -4.80 117.46 121.73 1qpw n PHE 117 Ca 0.00 -2.92 -0.25 0.00 -0.76 0.00 0.00 57.45 53.52 1qpw n PHE 117 Cb 0.61 -2.14 0.06 0.00 0.35 0.00 0.00 39.48 38.36 1qpw n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1qpw s ASN 118 N 1.80 5.01 0.50 -2.13 2.20 -1.26 -4.83 114.94 116.22 1qpw s ASN 118 Ca 0.42 0.44 0.20 0.00 -0.94 0.00 0.00 52.86 52.98 1qpw s ASN 118 Cb 0.08 -1.18 1.26 0.00 -2.00 0.00 0.00 41.25 39.41 1qpw s ASN 118 CO -0.01 -1.45 2.01 -0.65 -2.94 0.00 0.00 177.10 174.06 1qpw h PRO 119 N -0.44 0.13 0.20 3.55 0.11 -1.99 -1.89 132.00 131.68 1qpw h PRO 119 Ca -0.44 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 1qpw h PRO 119 Cb 1.30 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.42 1qpw h PRO 119 CO 0.59 0.09 -1.24 0.77 -0.21 0.00 0.00 178.00 178.00 1qpw h SER 120 N 0.14 0.74 -0.58 -2.05 0.02 -1.96 -2.23 113.55 107.63 1qpw h SER 120 Ca 0.24 -0.92 0.08 0.00 -0.84 0.00 0.00 61.79 60.35 1qpw h SER 120 Cb 0.75 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 1qpw h SER 120 CO -0.03 1.60 0.23 0.58 -1.14 0.00 0.00 176.83 178.07 1qpw h VAL 121 N 0.01 0.82 -0.39 2.27 2.07 -1.83 -0.51 116.25 118.69 1qpw h VAL 121 Ca -0.21 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1qpw h VAL 121 Cb 1.97 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1qpw h VAL 121 CO 0.23 0.08 0.18 -0.74 0.02 0.00 0.00 177.57 177.35 1qpw h HIS 122 N 0.43 0.34 -0.69 1.57 6.17 -1.33 0.25 115.15 121.89 1qpw h HIS 122 Ca 0.28 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.33 1qpw h HIS 122 Cb 0.31 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 1qpw h HIS 122 CO -0.15 0.17 0.25 0.00 0.71 0.00 0.00 177.93 178.91 1qpw h ALA 123 N 1.22 0.90 -0.32 5.26 0.00 -0.85 -1.70 119.26 123.77 1qpw h ALA 123 Ca 0.17 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1qpw h ALA 123 Cb 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1qpw h ALA 123 CO -0.13 0.55 -0.39 0.77 0.00 0.00 0.00 179.25 180.05 1qpw h SER 124 N 1.00 0.90 0.38 0.00 0.02 -0.38 -2.15 113.55 113.31 1qpw h SER 124 Ca 0.23 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 1qpw h SER 124 Cb 0.25 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1qpw h SER 124 CO -0.01 1.20 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.44 1qpw h LEU 125 N 0.61 0.00 0.08 5.07 3.38 -0.47 0.68 115.31 124.65 1qpw h LEU 125 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qpw h LEU 125 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1qpw h LEU 125 CO 0.09 0.37 -0.04 -0.78 0.09 0.00 0.00 178.44 178.18 1qpw h ASP 126 N 0.00 -0.09 -0.84 -0.43 3.58 -1.07 -0.89 116.42 116.68 1qpw h ASP 126 Ca -0.00 -0.44 0.05 0.00 0.42 0.00 0.00 57.03 57.06 1qpw h ASP 126 Cb 0.66 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 1qpw h ASP 126 CO 0.05 0.42 0.53 0.11 -2.88 0.00 0.00 179.24 177.47 1qpw h LYS 127 N -0.63 0.95 -0.58 0.28 1.57 -1.40 0.51 116.57 117.28 1qpw h LYS 127 Ca -0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1qpw h LYS 127 Cb 0.52 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1qpw h LYS 127 CO 0.02 0.63 0.34 0.35 -0.57 0.00 0.00 179.45 180.22 1qpw h PHE 128 N 0.98 0.64 0.00 -1.35 3.57 -0.72 -1.72 116.94 118.34 1qpw h PHE 128 Ca 0.36 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.78 1qpw h PHE 128 Cb 0.12 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1qpw h PHE 128 CO -0.03 0.36 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.89 1qpw h LEU 129 N 0.68 0.00 -0.25 0.59 3.38 0.20 -1.95 115.31 117.95 1qpw h LEU 129 Ca 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.03 1qpw h LEU 129 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1qpw h LEU 129 CO -0.11 0.45 -0.51 0.00 0.09 0.00 0.00 178.44 178.36 1qpw h ALA 130 N 1.55 0.40 -0.23 1.53 0.00 -0.68 0.78 119.26 122.62 1qpw h ALA 130 Ca -0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1qpw h ALA 130 Cb 1.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qpw h ALA 130 CO 0.06 0.59 -0.54 -0.91 0.00 0.00 0.00 179.25 178.45 1qpw h ASN 131 N 0.54 0.74 -0.87 0.00 2.35 -1.19 -0.69 115.58 116.46 1qpw h ASN 131 Ca 0.01 -0.39 0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1qpw h ASN 131 Cb 1.12 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.21 1qpw h ASN 131 CO 0.11 1.14 0.54 0.58 -1.65 0.00 0.00 177.43 178.15 1qpw h VAL 132 N 0.52 1.04 -0.60 2.81 2.07 -1.29 -2.52 116.25 118.27 1qpw h VAL 132 Ca 0.01 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1qpw h VAL 132 Cb 1.10 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1qpw h VAL 132 CO 0.11 0.18 -0.00 0.28 0.02 0.00 0.00 177.57 178.15 1qpw h SER 133 N 0.97 1.05 -0.82 0.57 0.02 -0.34 -2.40 113.55 112.60 1qpw h SER 133 Ca 0.38 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1qpw h SER 133 Cb 0.18 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1qpw h SER 133 CO -0.18 1.10 0.53 0.74 -1.14 0.00 0.00 176.83 177.88 1qpw h THR 134 N 0.97 1.22 0.22 -2.27 2.02 -0.74 0.15 112.91 114.47 1qpw h THR 134 Ca 0.17 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1qpw h THR 134 Cb 0.56 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1qpw h THR 134 CO 0.03 0.22 -0.10 0.58 0.37 0.00 0.00 175.52 176.62 1qpw h VAL 135 N 1.13 0.87 0.00 3.16 2.07 -1.38 -0.84 116.25 121.25 1qpw h VAL 135 Ca 0.30 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1qpw h VAL 135 Cb -0.09 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1qpw h VAL 135 CO -0.06 0.14 -0.16 -0.07 0.02 0.00 0.00 177.57 177.43 1qpw h LEU 136 N -0.61 0.00 -1.03 2.57 3.38 -0.84 -1.53 115.31 117.25 1qpw h LEU 136 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qpw h LEU 136 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1qpw h LEU 136 CO 0.05 0.16 0.00 0.35 0.09 0.00 0.00 178.44 179.09 1qpw n THR 137 N -4.32 0.17 0.27 0.22 -2.24 0.45 -3.99 114.28 104.84 1qpw n THR 137 Ca -0.02 -0.32 0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1qpw n THR 137 Cb 0.23 0.35 0.77 0.00 -2.10 0.00 0.00 70.33 69.58 1qpw n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qpw h SER 138 N 2.11 0.00 0.66 3.42 4.64 -0.06 -1.53 113.55 122.79 1qpw h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qpw h SER 138 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1qpw h SER 138 CO 0.00 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1qpw n LYS 139 N -3.81 0.10 0.08 4.77 4.01 -1.26 -2.77 118.16 119.27 1qpw n LYS 139 Ca -0.02 0.32 -0.12 0.00 -0.51 0.00 0.00 58.31 57.97 1qpw n LYS 139 Cb 0.18 -1.68 -0.13 0.00 -0.51 0.00 0.00 35.03 32.89 1qpw n LYS 139 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1qpw h TYR 140 N 0.00 0.26 -0.00 2.13 0.05 -1.63 -3.50 116.97 114.28 1qpw h TYR 140 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1qpw h TYR 140 Cb 0.33 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1qpw h TYR 140 CO 0.00 1.16 0.00 0.54 -1.05 0.00 0.00 178.16 178.81