#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpw n LEU 2 N 0.00 -6.63 0.00 6.55 4.77 -1.26 -5.07 117.00 115.35 1qpw n LEU 2 Ca 0.00 1.55 -0.20 0.00 -0.03 0.00 0.00 56.01 57.32 1qpw n LEU 2 Cb 0.00 -3.03 0.06 0.00 -2.33 0.00 0.00 43.42 38.12 1qpw n LEU 2 CO 0.00 -3.09 0.35 -1.54 -1.33 0.00 0.00 177.39 171.78 1qpw n SER 3 N 0.94 2.21 -0.21 -1.43 3.41 -1.26 -4.92 113.62 112.35 1qpw n SER 3 Ca -0.14 -2.60 -0.02 0.00 -0.26 0.00 0.00 58.87 55.85 1qpw n SER 3 Cb 0.22 -0.40 0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1qpw n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpw h ALA 4 N 0.16 0.23 -0.50 7.33 0.00 -1.98 0.01 119.26 124.51 1qpw h ALA 4 Ca -0.28 0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1qpw h ALA 4 Cb 1.27 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 19.59 1qpw h ALA 4 CO 0.41 -0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 1qpw h ALA 5 N 1.38 0.43 -0.03 0.00 0.00 -1.99 0.10 119.26 119.15 1qpw h ALA 5 Ca 0.28 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 1qpw h ALA 5 Cb 0.52 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1qpw h ALA 5 CO -0.68 -0.41 -0.61 -0.44 0.00 0.00 0.00 179.25 177.12 1qpw h ASP 6 N 0.08 0.14 0.43 0.00 3.32 -1.54 -2.39 116.42 116.44 1qpw h ASP 6 Ca 0.25 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1qpw h ASP 6 Cb 0.38 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1qpw h ASP 6 CO -0.45 0.71 -0.20 0.11 -1.72 0.00 0.00 179.24 177.68 1qpw h LYS 7 N 0.09 -0.55 -0.81 3.56 1.57 0.07 -0.97 116.57 119.52 1qpw h LYS 7 Ca -0.01 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.01 1qpw h LYS 7 Cb 1.09 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1qpw h LYS 7 CO 0.09 -0.28 0.55 0.00 -0.57 0.00 0.00 179.45 179.24 1qpw h ALA 8 N -0.27 2.40 0.14 3.86 0.00 -1.00 -1.51 119.26 122.88 1qpw h ALA 8 Ca -0.06 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1qpw h ALA 8 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qpw h ALA 8 CO 0.10 -0.64 -1.46 -0.91 0.00 0.00 0.00 179.25 176.34 1qpw h ASN 9 N 0.24 0.48 0.08 0.00 2.35 -1.35 -2.84 115.58 114.52 1qpw h ASN 9 Ca 0.40 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1qpw h ASN 9 Cb 1.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1qpw h ASN 9 CO -0.09 1.48 -0.07 0.58 -1.65 0.00 0.00 177.43 177.68 1qpw h VAL 10 N 0.08 0.83 -0.49 2.81 2.07 -0.17 -1.11 116.25 120.28 1qpw h VAL 10 Ca -0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1qpw h VAL 10 Cb 2.03 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1qpw h VAL 10 CO 0.19 0.00 0.24 0.11 0.02 0.00 0.00 177.57 178.14 1qpw h LYS 11 N -0.16 0.47 -0.31 1.57 1.79 -1.50 -1.41 116.57 117.01 1qpw h LYS 11 Ca 0.00 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1qpw h LYS 11 Cb 0.16 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1qpw h LYS 11 CO -0.02 0.31 -0.35 0.00 -1.08 0.00 0.00 179.45 178.31 1qpw h ALA 12 N 1.27 0.81 -0.22 3.86 0.00 -1.35 0.06 119.26 123.68 1qpw h ALA 12 Ca 0.22 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1qpw h ALA 12 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qpw h ALA 12 CO -0.16 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 1qpw h ALA 13 N 1.03 0.30 0.00 0.00 0.00 -0.45 -1.99 119.26 118.15 1qpw h ALA 13 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1qpw h ALA 13 Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1qpw h ALA 13 CO 0.08 0.14 -0.38 2.35 0.00 0.00 0.00 179.25 181.43 1qpw h TRP 14 N 0.16 0.00 -0.22 0.00 2.91 -1.23 -1.52 115.95 116.05 1qpw h TRP 14 Ca 0.05 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.09 1qpw h TRP 14 Cb 0.59 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 1qpw h TRP 14 CO 0.06 0.38 0.08 0.78 -1.03 0.00 0.00 178.44 178.72 1qpw h GLY 15 N 1.40 0.27 2.00 2.65 0.00 -0.60 -1.41 103.07 107.38 1qpw h GLY 15 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1qpw h GLY 15 CO 0.05 0.04 0.00 1.17 0.00 0.00 0.00 176.54 177.80 1qpw n LYS 16 N -5.03 0.13 -0.01 4.80 3.00 -0.63 -1.96 118.16 118.47 1qpw n LYS 16 Ca -0.02 0.32 -0.11 0.00 -0.00 0.00 0.00 58.31 58.49 1qpw n LYS 16 Cb 0.07 -1.73 -0.09 0.00 0.00 0.00 0.00 35.03 33.29 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 1.16 0.00 3.15 2.07 -0.65 -3.49 116.25 118.49 1qpw h VAL 17 Ca 0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1qpw h VAL 17 Cb 0.38 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1qpw h VAL 17 CO 0.00 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.54 1qpw n GLY 18 N 0.96 2.82 0.28 2.17 0.00 -0.73 -2.54 105.19 108.15 1qpw n GLY 18 Ca -0.08 -0.39 0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.92 -2.10 103.07 100.06 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 -2.78 0.58 -0.20 4.80 6.02 -1.05 -4.21 117.38 120.54 1qpw n GLN 20 Ca -0.02 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.91 1qpw n GLN 20 Cb 0.09 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 1qpw n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qpw h ALA 21 N 3.19 -0.12 0.00 -1.58 0.00 -1.57 -0.70 119.26 118.47 1qpw h ALA 21 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1qpw h ALA 21 Cb 0.01 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1qpw h ALA 21 CO 0.00 -0.72 -0.27 0.78 0.00 0.00 0.00 179.25 179.04 1qpw h GLY 22 N -0.19 0.00 0.67 0.00 0.00 -1.83 -0.34 103.07 101.38 1qpw h GLY 22 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1qpw h GLY 22 CO -0.67 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 175.75 1qpw h ALA 23 N 1.73 -0.32 -0.99 3.60 0.00 -1.58 -2.51 119.26 119.20 1qpw h ALA 23 Ca -0.00 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1qpw h ALA 23 Cb 0.60 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 1qpw h ALA 23 CO 0.04 -0.51 0.58 0.45 0.00 0.00 0.00 179.25 179.81 1qpw h HIS 24 N -0.66 1.01 -0.08 0.00 3.86 -0.73 0.90 115.15 119.46 1qpw h HIS 24 Ca -0.03 0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1qpw h HIS 24 Cb 0.46 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1qpw h HIS 24 CO 0.03 0.17 -0.44 0.78 0.86 0.00 0.00 177.93 179.32 1qpw h GLY 25 N 0.68 0.21 1.56 2.45 0.00 -1.08 -0.06 103.07 106.83 1qpw h GLY 25 Ca 0.59 -0.21 -0.26 0.00 0.00 0.00 0.00 47.33 47.45 1qpw h GLY 25 CO -0.42 0.19 -1.30 0.00 0.00 0.00 0.00 176.54 175.01 1qpw h ALA 26 N 1.39 0.34 -0.24 3.60 0.00 -0.52 -3.03 119.26 120.79 1qpw h ALA 26 Ca 0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1qpw h ALA 26 Cb 0.84 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1qpw h ALA 26 CO 0.07 1.21 0.04 1.49 0.00 0.00 0.00 179.25 182.06 1qpw h GLU 27 N 0.03 0.40 -0.61 0.00 4.81 -0.64 -1.88 114.58 116.70 1qpw h GLU 27 Ca -0.14 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1qpw h GLU 27 Cb 1.92 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 31.19 1qpw h GLU 27 CO 0.15 0.54 0.31 0.00 -0.73 0.00 0.00 179.01 179.27 1qpw h ALA 28 N 0.85 0.80 -0.73 2.92 0.00 -1.11 0.11 119.26 122.11 1qpw h ALA 28 Ca 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qpw h ALA 28 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1qpw h ALA 28 CO 0.00 -0.05 0.21 -0.07 0.00 0.00 0.00 179.25 179.35 1qpw h LEU 29 N 0.56 1.07 -0.27 0.00 3.38 -1.42 -2.20 115.31 116.43 1qpw h LEU 29 Ca 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1qpw h LEU 29 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1qpw h LEU 29 CO -0.20 1.00 0.06 -0.08 0.09 0.00 0.00 178.44 179.31 1qpw h GLU 30 N 1.09 0.44 -0.74 1.13 4.81 -0.34 -1.49 114.58 119.48 1qpw h GLU 30 Ca 0.23 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.47 1qpw h GLU 30 Cb 0.32 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1qpw h GLU 30 CO -0.00 0.53 0.49 0.00 -0.73 0.00 0.00 179.01 179.30 1qpw h ARG 31 N 0.27 0.51 -0.25 1.92 3.08 -0.77 -0.81 114.38 118.32 1qpw h ARG 31 Ca 0.09 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 1qpw h ARG 31 Cb 0.29 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1qpw h ARG 31 CO 0.00 0.34 -0.53 1.98 -1.07 0.00 0.00 179.97 180.69 1qpw h MET 32 N 0.53 0.73 0.02 0.04 4.05 -0.77 0.23 114.93 119.76 1qpw h MET 32 Ca 0.35 -0.45 -0.22 0.00 -0.28 0.00 0.00 59.70 59.10 1qpw h MET 32 Cb 0.64 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1qpw h MET 32 CO -0.12 1.08 -0.94 0.74 0.23 0.00 0.00 176.91 177.89 1qpw h PHE 33 N 0.57 0.44 0.07 1.39 0.04 -0.75 -2.12 116.94 116.57 1qpw h PHE 33 Ca 0.02 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.53 1qpw h PHE 33 Cb 1.10 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1qpw h PHE 33 CO 0.06 1.08 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.74 1qpw h LEU 34 N 0.15 -0.08 -1.06 1.54 3.38 -1.08 -3.27 115.31 114.89 1qpw h LEU 34 Ca -0.07 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 1qpw h LEU 34 Cb 1.59 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1qpw h LEU 34 CO 0.15 0.61 -0.44 1.23 0.09 0.00 0.00 178.44 180.08 1qpw h GLY 35 N -0.89 0.00 -6.22 0.83 0.00 -0.63 -3.37 103.07 92.78 1qpw h GLY 35 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 1qpw h GLY 35 CO 0.02 0.00 -0.99 0.69 0.00 0.00 0.00 176.54 176.25 1qpw n PHE 36 N -3.86 -0.15 0.09 5.60 3.72 -0.80 -5.03 117.46 117.04 1qpw n PHE 36 Ca -0.01 -3.53 0.01 0.00 -0.05 0.00 0.00 57.45 53.86 1qpw n PHE 36 Cb 0.49 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.96 1qpw n PHE 36 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qpw n PRO 37 N 2.00 0.02 0.17 -1.08 -0.02 -1.23 -2.37 135.00 132.48 1qpw n PRO 37 Ca 0.25 0.31 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1qpw n PRO 37 Cb 0.49 -2.11 0.22 0.00 -0.02 0.00 0.00 33.50 32.09 1qpw n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1qpw h THR 38 N 0.00 0.94 0.00 3.45 1.35 -1.90 -3.21 112.91 113.54 1qpw h THR 38 Ca 0.00 -1.84 -0.08 0.00 -0.55 0.00 0.00 66.41 63.95 1qpw h THR 38 Cb 1.10 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 1qpw h THR 38 CO 0.00 0.44 -0.37 0.71 -0.25 0.00 0.00 175.52 176.06 1qpw h THR 39 N 0.00 1.11 -0.02 6.82 1.35 -1.80 -3.01 112.91 117.36 1qpw h THR 39 Ca -0.00 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1qpw h THR 39 Cb 1.08 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1qpw h THR 39 CO 0.06 0.36 0.03 0.11 -0.25 0.00 0.00 175.52 175.83 1qpw h LYS 40 N 0.00 0.00 -0.30 4.72 1.57 -1.77 -2.06 116.57 118.72 1qpw h LYS 40 Ca -0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1qpw h LYS 40 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1qpw h LYS 40 CO 0.05 0.00 0.21 1.15 -0.57 0.00 0.00 179.45 180.29 1qpw h THR 41 N 0.00 0.93 0.00 -0.16 2.02 -1.72 -1.93 112.91 112.04 1qpw h THR 41 Ca 0.01 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1qpw h THR 41 Cb 0.08 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1qpw h THR 41 CO -0.00 0.03 -0.34 1.88 0.37 0.00 0.00 175.52 177.46 1qpw h TYR 42 N 0.15 0.00 -1.61 3.16 -1.99 -1.61 -3.36 116.97 111.72 1qpw h TYR 42 Ca 0.13 0.00 -0.73 0.00 2.00 0.00 0.00 58.73 60.13 1qpw h TYR 42 Cb 0.34 0.00 -0.28 0.00 2.00 0.00 0.00 36.73 38.79 1qpw h TYR 42 CO -0.00 0.34 0.96 1.19 -0.00 0.00 0.00 178.16 180.65 1qpw n PHE 43 N -3.25 3.08 0.32 4.88 3.01 -0.73 -4.73 117.46 120.04 1qpw n PHE 43 Ca 0.02 -2.60 0.20 0.00 1.01 0.00 0.00 57.45 56.08 1qpw n PHE 43 Cb 0.61 -1.27 1.05 0.00 -0.01 0.00 0.00 39.48 39.86 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 2.61 0.00 0.00 -1.08 0.13 -1.73 -1.52 132.00 130.41 1qpw h PRO 44 Ca 0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.71 1qpw h PRO 44 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1qpw h PRO 44 CO 1.49 0.01 -0.40 1.12 -0.23 0.00 0.00 178.00 179.99 1qpw h HIS 45 N 0.00 0.00 -3.55 1.56 2.07 -1.94 -3.46 115.15 109.83 1qpw h HIS 45 Ca -0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1qpw h HIS 45 Cb 0.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.10 1qpw h HIS 45 CO 0.00 0.00 -0.01 -0.06 -3.07 0.00 0.00 177.93 174.79 1qpw s PHE 46 N -3.27 3.42 -0.12 6.12 0.40 -0.57 -5.06 117.98 118.90 1qpw s PHE 46 Ca 0.04 0.98 -0.26 0.00 -0.60 0.00 0.00 56.93 57.10 1qpw s PHE 46 Cb 0.07 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1qpw s PHE 46 CO 0.72 0.13 0.82 1.21 0.70 0.00 0.00 175.22 178.80 1qpw s ASN 47 N -2.60 7.03 -0.33 1.36 2.47 -1.26 -4.99 114.94 116.61 1qpw s ASN 47 Ca 0.50 1.26 0.10 0.00 0.42 0.00 0.00 52.86 55.13 1qpw s ASN 47 Cb -0.11 -2.46 0.46 0.00 -1.45 0.00 0.00 41.25 37.69 1qpw s ASN 47 CO 0.23 -0.31 1.13 0.18 -3.72 0.00 0.00 177.10 174.61 1qpw n LEU 48 N 4.67 3.99 -4.98 3.21 4.77 -1.26 -4.47 117.00 122.93 1qpw n LEU 48 Ca 0.03 -4.52 -0.23 0.00 -0.03 0.00 0.00 56.01 51.27 1qpw n LEU 48 Cb 0.50 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1qpw n LEU 48 CO 0.49 1.93 0.51 -0.44 -1.33 0.00 0.00 177.39 178.54 1qpw s SER 49 N -3.57 4.62 -0.32 -1.43 0.01 -1.26 -4.97 113.70 106.79 1qpw s SER 49 Ca 0.44 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 1qpw s SER 49 Cb 0.40 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 1qpw s SER 49 CO -0.04 -1.65 1.92 -2.28 0.41 0.00 0.00 173.24 171.59 1qpw s HIS 50 N -3.06 1.63 -0.95 2.43 2.46 -1.26 -2.55 115.29 113.99 1qpw s HIS 50 Ca 0.63 0.64 -0.05 0.00 0.47 0.00 0.00 55.06 56.75 1qpw s HIS 50 Cb -0.07 -4.06 -0.06 0.00 -0.13 0.00 0.00 32.58 28.26 1qpw s HIS 50 CO 0.43 -3.18 0.83 0.41 -2.47 0.00 0.00 174.74 170.76 1qpw n GLY 51 N 5.53 -0.89 3.80 1.59 0.00 -1.26 -5.03 105.19 108.93 1qpw n GLY 51 Ca 0.25 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 46.39 1qpw n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qpw s SER 52 N -3.43 6.19 0.33 1.61 1.04 -1.06 -4.93 113.70 113.46 1qpw s SER 52 Ca 0.38 1.92 0.12 0.00 0.48 0.00 0.00 55.95 58.85 1qpw s SER 52 Cb -0.05 -2.56 0.58 0.00 0.10 0.00 0.00 66.02 64.09 1qpw s SER 52 CO 0.66 -0.88 1.73 -2.24 0.98 0.00 0.00 173.24 173.49 1qpw h ASP 53 N 1.31 0.00 -0.46 7.02 -0.00 -1.94 -1.49 116.42 120.86 1qpw h ASP 53 Ca -0.49 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 56.55 1qpw h ASP 53 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.53 1qpw h ASP 53 CO 0.59 0.47 0.30 1.56 -0.00 0.00 0.00 179.24 182.16 1qpw h GLN 54 N 0.00 0.59 -0.61 4.15 7.50 -1.92 0.51 115.11 125.34 1qpw h GLN 54 Ca -0.00 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.03 1qpw h GLN 54 Cb 0.86 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.23 1qpw h GLN 54 CO 0.06 0.39 0.08 0.28 -1.50 0.00 0.00 178.83 178.14 1qpw h VAL 55 N 0.61 1.26 -0.08 -0.54 2.07 -1.71 -0.70 116.25 117.16 1qpw h VAL 55 Ca 0.17 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.55 1qpw h VAL 55 Cb -0.06 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1qpw h VAL 55 CO -0.05 0.38 -0.41 0.07 0.02 0.00 0.00 177.57 177.58 1qpw h LYS 56 N 0.94 0.17 -0.06 1.57 2.10 -0.41 0.47 116.57 121.35 1qpw h LYS 56 Ca 0.18 -0.08 -0.08 0.00 -2.00 0.00 0.00 60.65 58.67 1qpw h LYS 56 Cb 0.46 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1qpw h LYS 56 CO 0.02 0.56 -0.28 0.00 -2.00 0.00 0.00 179.45 177.75 1qpw h ALA 57 N 1.43 0.12 -0.28 0.07 0.00 -0.73 -1.73 119.26 118.13 1qpw h ALA 57 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1qpw h ALA 57 Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1qpw h ALA 57 CO 0.06 0.14 -0.31 1.25 0.00 0.00 0.00 179.25 180.39 1qpw h HIS 58 N -0.22 0.69 -0.79 0.00 -0.00 -0.80 -2.15 115.15 111.88 1qpw h HIS 58 Ca -0.02 -0.17 0.10 0.00 -0.00 0.00 0.00 60.37 60.28 1qpw h HIS 58 Cb 0.92 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 28.12 1qpw h HIS 58 CO 0.13 0.84 0.52 0.78 -0.00 0.00 0.00 177.93 180.20 1qpw h GLY 59 N 1.02 1.02 0.73 5.26 0.00 0.06 -1.63 103.07 109.53 1qpw h GLY 59 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1qpw h GLY 59 CO 0.06 0.16 -0.09 -1.61 0.00 0.00 0.00 176.54 175.06 1qpw h GLN 60 N 0.70 0.30 -0.83 4.80 5.75 -0.69 -2.69 115.11 122.45 1qpw h GLN 60 Ca 0.37 -0.14 0.11 0.00 -0.15 0.00 0.00 58.65 58.84 1qpw h GLN 60 Cb 0.50 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 1qpw h GLN 60 CO -0.14 0.66 0.54 0.87 -2.65 0.00 0.00 178.83 178.10 1qpw h LYS 61 N -0.05 0.70 -0.17 1.69 1.79 -0.82 -1.64 116.57 118.06 1qpw h LYS 61 Ca 0.03 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 1qpw h LYS 61 Cb 0.58 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1qpw h LYS 61 CO 0.02 0.46 -0.38 0.28 -1.08 0.00 0.00 179.45 178.76 1qpw h VAL 62 N 0.72 1.34 0.00 0.50 2.07 -1.35 -1.86 116.25 117.67 1qpw h VAL 62 Ca 0.39 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.21 1qpw h VAL 62 Cb 0.53 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1qpw h VAL 62 CO -0.16 0.50 -0.31 0.00 0.02 0.00 0.00 177.57 177.62 1qpw h ALA 63 N 0.57 1.30 0.01 1.67 0.00 -1.09 -1.25 119.26 120.47 1qpw h ALA 63 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1qpw h ALA 63 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1qpw h ALA 63 CO 0.08 0.39 -0.93 -0.44 0.00 0.00 0.00 179.25 178.35 1qpw h ASP 64 N 0.00 0.08 0.50 0.00 3.32 -1.21 -1.61 116.42 117.51 1qpw h ASP 64 Ca -0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 1qpw h ASP 64 Cb 0.62 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1qpw h ASP 64 CO 0.04 0.96 -0.49 0.00 -1.72 0.00 0.00 179.24 178.03 1qpw h ALA 65 N 1.03 1.18 -0.08 3.45 0.00 -0.82 -1.81 119.26 122.21 1qpw h ALA 65 Ca -0.03 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1qpw h ALA 65 Cb 1.62 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.34 1qpw h ALA 65 CO 0.13 0.61 -0.82 -0.07 0.00 0.00 0.00 179.25 179.11 1qpw h LEU 66 N 0.00 0.85 -0.83 0.00 3.38 -1.10 -1.79 115.31 115.82 1qpw h LEU 66 Ca -0.00 -0.68 0.03 0.00 0.09 0.00 0.00 57.88 57.32 1qpw h LEU 66 Cb 0.88 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1qpw h LEU 66 CO 0.06 1.41 0.53 0.74 0.09 0.00 0.00 178.44 181.27 1qpw h THR 67 N 0.36 1.13 -0.51 0.22 2.02 -1.27 0.36 112.91 115.22 1qpw h THR 67 Ca -0.08 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.79 1qpw h THR 67 Cb 1.47 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1qpw h THR 67 CO 0.16 0.19 0.26 0.50 0.37 0.00 0.00 175.52 177.00 1qpw h LYS 68 N 1.03 0.49 -0.66 6.66 3.64 -1.18 -1.41 116.57 125.14 1qpw h LYS 68 Ca 0.33 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1qpw h LYS 68 Cb 0.02 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1qpw h LYS 68 CO -0.12 0.32 0.38 0.00 -2.27 0.00 0.00 179.45 177.77 1qpw h ALA 69 N 1.27 0.88 0.00 5.00 0.00 -1.01 -2.03 119.26 123.38 1qpw h ALA 69 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1qpw h ALA 69 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qpw h ALA 69 CO -0.15 0.09 -0.07 0.28 0.00 0.00 0.00 179.25 179.39 1qpw h VAL 70 N 0.72 0.30 -0.62 0.00 2.07 -0.32 -1.15 116.25 117.25 1qpw h VAL 70 Ca 0.29 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1qpw h VAL 70 Cb 0.13 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1qpw h VAL 70 CO -0.16 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.11 1qpw n GLY 71 N -0.57 2.76 2.05 2.17 0.00 -0.59 -4.42 105.19 106.60 1qpw n GLY 71 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.22 1qpw n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qpw n HIS 72 N 1.11 0.30 -0.08 1.61 -0.00 -0.46 -4.97 115.22 112.74 1qpw n HIS 72 Ca 0.24 -1.22 0.08 0.00 -0.00 0.00 0.00 57.72 56.81 1qpw n HIS 72 Cb 0.76 0.02 0.44 0.00 -0.00 0.00 0.00 29.99 31.21 1qpw n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1qpw h LEU 73 N 1.51 0.48 0.00 2.41 3.38 -1.70 0.18 115.31 121.57 1qpw h LEU 73 Ca -0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1qpw h LEU 73 Cb 1.57 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1qpw h LEU 73 CO 0.07 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.38 1qpw n ASP 74 N -4.47 0.00 -2.72 -0.43 9.92 -1.26 -4.13 116.55 113.46 1qpw n ASP 74 Ca 0.08 0.31 -0.08 0.00 -0.53 0.00 0.00 54.79 54.57 1qpw n ASP 74 Cb 0.22 -0.41 0.09 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.41 -2.10 0.26 -2.24 2.03 0.60 -4.98 116.55 108.71 1qpw n ASP 75 Ca 0.06 -3.25 0.10 0.00 0.52 0.00 0.00 54.79 52.21 1qpw n ASP 75 Cb 0.16 1.71 0.68 0.00 -0.72 0.00 0.00 41.12 42.95 1qpw n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1qpw h LEU 76 N 2.73 0.00 -0.73 -2.67 3.38 -1.61 -2.03 115.31 114.37 1qpw h LEU 76 Ca -0.16 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.93 1qpw h LEU 76 Cb 1.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 1qpw h LEU 76 CO 0.08 0.08 -0.35 -0.65 0.09 0.00 0.00 178.44 177.70 1qpw h PRO 77 N 0.00 -0.10 0.26 1.13 0.11 -1.93 0.21 132.00 131.68 1qpw h PRO 77 Ca -0.00 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1qpw h PRO 77 Cb 0.17 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1qpw h PRO 77 CO 0.01 -0.07 -0.13 0.78 -0.21 0.00 0.00 178.00 178.39 1qpw h GLY 78 N -0.10 -0.37 0.54 -0.55 0.00 -1.84 -1.53 103.07 99.22 1qpw h GLY 78 Ca 0.28 0.14 0.19 0.00 0.00 0.00 0.00 47.33 47.93 1qpw h GLY 78 CO -0.79 -0.13 0.53 0.00 0.00 0.00 0.00 176.54 176.15 1qpw h ALA 79 N -0.15 2.37 -0.02 3.60 0.00 -1.17 -2.80 119.26 121.10 1qpw h ALA 79 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qpw h ALA 79 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qpw h ALA 79 CO 0.06 -0.60 0.00 1.28 0.00 0.00 0.00 179.25 179.99 1qpw n LEU 80 N -4.42 2.08 0.25 0.00 4.32 0.73 -4.72 117.00 115.23 1qpw n LEU 80 Ca 0.16 -2.06 0.10 0.00 -0.02 0.00 0.00 56.01 54.18 1qpw n LEU 80 Cb 0.68 -0.04 0.66 0.00 -1.62 0.00 0.00 43.42 43.11 1qpw n LEU 80 CO 0.34 0.52 0.96 0.77 -1.22 0.00 0.00 177.39 178.77 1qpw h SER 81 N 0.12 0.00 0.85 -1.43 4.64 -0.99 0.30 113.55 117.04 1qpw h SER 81 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1qpw h SER 81 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1qpw h SER 81 CO 0.00 0.13 -0.91 0.00 -0.87 0.00 0.00 176.83 175.19 1qpw h ALA 82 N 1.87 0.51 -0.15 5.18 0.00 -1.84 -3.02 119.26 121.80 1qpw h ALA 82 Ca -0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 54.91 53.92 1qpw h ALA 82 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qpw h ALA 82 CO 0.02 1.09 -0.66 -0.07 0.00 0.00 0.00 179.25 179.63 1qpw h LEU 83 N 0.01 0.67 -0.28 0.00 3.38 -0.87 -2.64 115.31 115.58 1qpw h LEU 83 Ca -0.02 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.60 1qpw h LEU 83 Cb 1.59 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.07 1qpw h LEU 83 CO 0.12 1.15 -0.53 0.28 0.09 0.00 0.00 178.44 179.55 1qpw h SER 84 N 0.42 -1.72 -0.69 -0.43 0.02 -0.85 -2.22 113.55 108.08 1qpw h SER 84 Ca -0.02 0.22 0.15 0.00 -0.84 0.00 0.00 61.79 61.30 1qpw h SER 84 Cb 1.24 0.70 -0.12 0.00 0.14 0.00 0.00 62.40 64.35 1qpw h SER 84 CO 0.12 -0.43 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.57 1qpw h ASP 85 N -0.47 -0.38 -0.19 3.07 1.82 -1.55 -1.56 116.42 117.16 1qpw h ASP 85 Ca 0.07 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1qpw h ASP 85 Cb 0.63 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1qpw h ASP 85 CO -0.52 -0.16 0.04 0.25 -1.61 0.00 0.00 179.24 177.23 1qpw h LEU 86 N 0.09 0.29 0.17 2.28 6.46 -1.07 -1.04 115.31 122.48 1qpw h LEU 86 Ca 0.36 -0.25 -0.30 0.00 -0.12 0.00 0.00 57.88 57.57 1qpw h LEU 86 Cb 0.60 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1qpw h LEU 86 CO -0.62 0.47 -1.49 0.45 -0.62 0.00 0.00 178.44 176.63 1qpw h HIS 87 N 0.10 0.64 0.02 1.25 -0.00 -1.06 0.15 115.15 116.25 1qpw h HIS 87 Ca 0.06 -0.47 -0.00 0.00 -0.00 0.00 0.00 60.37 59.96 1qpw h HIS 87 Cb 0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 1qpw h HIS 87 CO 0.02 1.58 -0.01 0.00 -0.00 0.00 0.00 177.93 179.51 1qpw h ALA 88 N 0.06 -0.05 0.46 2.45 0.00 -1.37 -0.25 119.26 120.56 1qpw h ALA 88 Ca -0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1qpw h ALA 88 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1qpw h ALA 88 CO 0.15 -0.05 -0.22 1.25 0.00 0.00 0.00 179.25 180.38 1qpw h HIS 89 N -0.50 -0.58 0.03 0.00 6.17 -1.20 -2.77 115.15 116.31 1qpw h HIS 89 Ca -0.00 -0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.88 1qpw h HIS 89 Cb 0.02 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.12 1qpw h HIS 89 CO 0.00 -0.31 -0.95 0.87 0.71 0.00 0.00 177.93 178.25 1qpw h LYS 90 N -0.71 0.06 -0.02 5.26 1.79 -1.08 -3.38 116.57 118.48 1qpw h LYS 90 Ca -0.06 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1qpw h LYS 90 Cb 0.52 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1qpw h LYS 90 CO 0.10 1.05 -0.15 1.28 -1.08 0.00 0.00 179.45 180.65 1qpw n LEU 91 N -4.36 2.04 -4.04 2.94 4.77 0.50 -5.00 117.00 113.85 1qpw n LEU 91 Ca -0.24 -0.68 -0.44 0.00 -0.03 0.00 0.00 56.01 54.61 1qpw n LEU 91 Cb 0.68 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1qpw n LEU 91 CO 0.28 0.35 -0.18 0.54 -1.33 0.00 0.00 177.39 177.06 1qpw n ARG 92 N 0.39 -0.42 -3.34 3.23 3.00 -0.74 -4.92 116.66 113.85 1qpw n ARG 92 Ca 0.14 0.17 -0.37 0.00 -0.01 0.00 0.00 57.85 57.78 1qpw n ARG 92 Cb 0.46 -2.44 -0.06 0.00 0.00 0.00 0.00 32.46 30.42 1qpw n ARG 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1qpw s VAL 93 N -3.44 4.83 0.21 1.55 -7.23 -0.18 -4.98 120.40 111.15 1qpw s VAL 93 Ca 0.42 1.01 -0.32 0.00 -1.81 0.00 0.00 61.98 61.29 1qpw s VAL 93 Cb -0.23 -3.81 -0.11 0.00 0.56 0.00 0.00 36.38 32.78 1qpw s VAL 93 CO 0.96 0.45 1.67 -0.62 -0.31 0.00 0.00 175.10 177.25 1qpw s ASP 94 N -1.32 6.43 0.43 4.85 -1.08 -1.26 -4.82 116.67 119.91 1qpw s ASP 94 Ca 0.31 2.81 0.18 0.00 -0.52 0.00 0.00 52.55 55.33 1qpw s ASP 94 Cb -0.17 -2.60 1.10 0.00 -1.46 0.00 0.00 42.92 39.79 1qpw s ASP 94 CO 0.18 -0.93 1.86 1.55 0.52 0.00 0.00 175.17 178.36 1qpw h PRO 95 N 6.60 0.37 -0.73 4.34 0.13 -1.98 -1.68 132.00 139.05 1qpw h PRO 95 Ca -0.43 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1qpw h PRO 95 Cb 1.20 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1qpw h PRO 95 CO 0.93 0.25 0.48 0.28 -0.23 0.00 0.00 178.00 179.71 1qpw h VAL 96 N 0.38 0.95 0.00 1.56 2.07 -2.03 -2.67 116.25 116.52 1qpw h VAL 96 Ca 0.46 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 1qpw h VAL 96 Cb 1.17 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1qpw h VAL 96 CO -0.16 0.12 -0.13 0.78 0.02 0.00 0.00 177.57 178.19 1qpw h ASN 97 N 0.66 0.00 -0.41 0.57 2.35 -1.67 -2.74 115.58 114.34 1qpw h ASN 97 Ca 0.33 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.97 1qpw h ASN 97 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1qpw h ASN 97 CO -0.12 0.13 -0.19 -0.26 -1.65 0.00 0.00 177.43 175.35 1qpw h PHE 98 N 0.00 0.98 -0.00 1.19 0.04 -1.62 -0.94 116.94 116.58 1qpw h PHE 98 Ca -0.00 -0.24 -0.11 0.00 2.80 0.00 0.00 57.97 60.42 1qpw h PHE 98 Cb 0.45 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1qpw h PHE 98 CO 0.00 1.01 -0.52 1.57 -0.60 0.00 0.00 178.31 179.77 1qpw h LYS 99 N 0.67 0.01 -0.26 1.51 -0.00 -1.62 -1.70 116.57 115.18 1qpw h LYS 99 Ca 0.09 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.68 1qpw h LYS 99 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.96 1qpw h LYS 99 CO 0.06 0.53 -0.06 -0.07 -0.00 0.00 0.00 179.45 179.90 1qpw h LEU 100 N 0.01 0.50 -0.56 7.07 3.38 -1.29 -0.19 115.31 124.23 1qpw h LEU 100 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1qpw h LEU 100 Cb 0.92 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1qpw h LEU 100 CO 0.07 0.75 0.26 0.25 0.09 0.00 0.00 178.44 179.86 1qpw h LEU 101 N 0.24 0.74 -0.42 1.67 5.85 -1.06 -1.67 115.31 120.66 1qpw h LEU 101 Ca 0.06 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1qpw h LEU 101 Cb 0.53 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1qpw h LEU 101 CO 0.03 0.67 0.03 0.28 -0.34 0.00 0.00 178.44 179.10 1qpw h SER 102 N 0.75 -0.11 -0.37 1.25 0.02 -1.09 0.20 113.55 114.20 1qpw h SER 102 Ca 0.19 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1qpw h SER 102 Cb 0.13 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1qpw h SER 102 CO -0.02 -0.02 0.23 -0.74 -1.14 0.00 0.00 176.83 175.14 1qpw h HIS 103 N 0.15 0.48 0.00 3.45 -0.00 -0.97 -0.47 115.15 117.79 1qpw h HIS 103 Ca 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 1qpw h HIS 103 Cb 0.29 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1qpw h HIS 103 CO -0.25 0.34 -0.33 0.00 -0.00 0.00 0.00 177.93 177.69 1qpw h LEU 105 N 0.00 -0.40 -0.76 0.00 7.12 0.10 -2.64 115.31 118.73 1qpw h LEU 105 Ca -0.00 -0.05 0.16 0.00 0.13 0.00 0.00 57.88 58.11 1qpw h LEU 105 Cb 0.86 0.10 -0.10 0.00 -0.53 0.00 0.00 40.66 40.99 1qpw h LEU 105 CO 0.04 -0.20 0.28 -0.07 -0.13 0.00 0.00 178.44 178.36 1qpw h LEU 106 N -0.57 0.21 -0.97 2.25 4.07 -1.00 0.50 115.31 119.80 1qpw h LEU 106 Ca -0.05 0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1qpw h LEU 106 Cb 0.42 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1qpw h LEU 106 CO 0.08 0.05 0.03 0.58 -1.08 0.00 0.00 178.44 178.10 1qpw h VAL 107 N 0.39 1.23 -0.25 1.22 2.07 -1.32 -2.37 116.25 117.22 1qpw h VAL 107 Ca 0.43 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1qpw h VAL 107 Cb 0.70 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1qpw h VAL 107 CO -0.45 0.34 0.05 0.74 0.02 0.00 0.00 177.57 178.27 1qpw h THR 108 N 0.74 1.22 -0.53 2.57 2.02 -0.94 -1.34 112.91 116.65 1qpw h THR 108 Ca 0.15 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1qpw h THR 108 Cb 0.40 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1qpw h THR 108 CO 0.01 0.24 0.10 -0.07 0.37 0.00 0.00 175.52 176.17 1qpw h LEU 109 N 0.22 0.84 -0.17 2.58 4.07 -0.73 -1.53 115.31 120.58 1qpw h LEU 109 Ca 0.08 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.78 1qpw h LEU 109 Cb 0.31 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1qpw h LEU 109 CO 0.00 0.88 0.09 0.00 -1.08 0.00 0.00 178.44 178.33 1qpw h ALA 110 N 0.99 0.22 -0.45 1.53 0.00 -1.39 0.73 119.26 120.89 1qpw h ALA 110 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1qpw h ALA 110 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1qpw h ALA 110 CO 0.01 -0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.22 1qpw h ALA 111 N 0.98 1.51 0.00 0.00 0.00 -1.14 -2.39 119.26 118.22 1qpw h ALA 111 Ca 0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1qpw h ALA 111 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1qpw h ALA 111 CO -0.01 0.39 -1.66 0.72 0.00 0.00 0.00 179.25 178.69 1qpw n HIS 112 N -4.38 0.57 -2.49 0.00 -0.00 -0.58 -4.65 115.22 103.68 1qpw n HIS 112 Ca 0.03 0.18 -0.18 0.00 -0.00 0.00 0.00 57.72 57.75 1qpw n HIS 112 Cb 0.13 -0.91 0.02 0.00 -0.00 0.00 0.00 29.99 29.24 1qpw n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1qpw n HIS 113 N -2.67 2.41 -0.30 4.41 8.25 0.25 -4.96 115.22 122.61 1qpw n HIS 113 Ca -0.11 -2.76 -0.02 0.00 -0.26 0.00 0.00 57.72 54.58 1qpw n HIS 113 Cb 0.78 -0.23 0.15 0.00 1.12 0.00 0.00 29.99 31.81 1qpw n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1qpw h PRO 114 N 2.64 1.17 -0.89 -0.41 0.13 -1.67 0.66 132.00 133.63 1qpw h PRO 114 Ca 0.15 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1qpw h PRO 114 Cb 1.14 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1qpw h PRO 114 CO 0.66 0.81 0.00 -0.25 -0.23 0.00 0.00 178.00 178.99 1qpw n ASP 115 N -4.37 1.86 0.00 1.44 9.92 -1.26 -2.67 116.55 121.47 1qpw n ASP 115 Ca 0.10 -2.17 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1qpw n ASP 115 Cb 0.05 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1qpw n ASP 115 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1qpw n ASP 116 N 0.11 0.83 -4.44 -2.24 2.03 0.21 -4.92 116.55 108.13 1qpw n ASP 116 Ca 0.05 -0.02 -0.44 0.00 0.52 0.00 0.00 54.79 54.90 1qpw n ASP 116 Cb 0.42 0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1qpw n ASP 116 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1qpw s PHE 117 N -0.37 3.60 0.55 -0.67 5.36 -0.16 -4.92 117.98 121.37 1qpw s PHE 117 Ca 0.00 -2.14 0.04 0.00 -0.96 0.00 0.00 56.93 53.87 1qpw s PHE 117 Cb 0.00 -4.22 0.05 0.00 -0.34 0.00 0.00 43.02 38.51 1qpw s PHE 117 CO 0.00 -1.32 0.76 0.54 -1.46 0.00 0.00 175.22 173.73 1qpw s ASN 118 N 2.65 5.19 0.24 6.13 2.20 -1.26 -4.83 114.94 125.27 1qpw s ASN 118 Ca 0.39 -0.35 -0.05 0.00 -0.94 0.00 0.00 52.86 51.92 1qpw s ASN 118 Cb -0.04 -0.45 0.42 0.00 -2.00 0.00 0.00 41.25 39.18 1qpw s ASN 118 CO -0.03 -1.19 1.75 -0.65 -2.94 0.00 0.00 177.10 174.05 1qpw h PRO 119 N 0.15 0.52 -0.04 3.55 0.11 -1.98 0.11 132.00 134.43 1qpw h PRO 119 Ca -0.38 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1qpw h PRO 119 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1qpw h PRO 119 CO 0.46 0.34 -0.68 0.66 -0.21 0.00 0.00 178.00 178.57 1qpw h SER 120 N 0.53 0.21 0.22 -2.05 4.64 -1.99 -1.37 113.55 113.74 1qpw h SER 120 Ca 0.39 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.39 1qpw h SER 120 Cb 0.52 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1qpw h SER 120 CO -0.34 0.83 -0.76 0.58 -0.87 0.00 0.00 176.83 176.27 1qpw h VAL 121 N 0.12 1.37 -0.13 0.95 2.07 -1.48 -1.59 116.25 117.56 1qpw h VAL 121 Ca -0.02 -2.16 0.03 0.00 0.82 0.00 0.00 66.70 65.38 1qpw h VAL 121 Cb 1.22 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1qpw h VAL 121 CO 0.10 0.65 -0.04 -0.74 0.02 0.00 0.00 177.57 177.56 1qpw h HIS 122 N 0.30 -0.10 -0.23 1.57 6.17 -0.68 0.32 115.15 122.51 1qpw h HIS 122 Ca -0.04 0.01 -0.14 0.00 0.71 0.00 0.00 60.37 60.91 1qpw h HIS 122 Cb 1.35 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 31.33 1qpw h HIS 122 CO 0.05 -0.07 -0.45 0.00 0.71 0.00 0.00 177.93 178.16 1qpw h ALA 123 N 1.11 0.79 -0.10 5.26 0.00 -1.15 -1.97 119.26 123.19 1qpw h ALA 123 Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qpw h ALA 123 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qpw h ALA 123 CO -0.15 0.66 0.05 0.77 0.00 0.00 0.00 179.25 180.58 1qpw h SER 124 N 0.47 0.14 -0.45 0.00 0.02 -1.02 -0.60 113.55 112.10 1qpw h SER 124 Ca 0.03 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1qpw h SER 124 Cb 0.97 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1qpw h SER 124 CO 0.09 0.23 0.09 -0.07 -1.14 0.00 0.00 176.83 176.03 1qpw h LEU 125 N 0.03 0.75 -0.50 5.07 3.38 -0.96 0.33 115.31 123.41 1qpw h LEU 125 Ca 0.04 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1qpw h LEU 125 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1qpw h LEU 125 CO -0.00 0.76 -0.46 -0.78 0.09 0.00 0.00 178.44 178.05 1qpw h ASP 126 N 0.77 0.77 -0.11 -0.43 3.58 -1.04 0.38 116.42 120.34 1qpw h ASP 126 Ca 0.17 -0.37 -0.14 0.00 0.42 0.00 0.00 57.03 57.10 1qpw h ASP 126 Cb 0.33 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1qpw h ASP 126 CO 0.00 1.11 -0.42 0.11 -2.88 0.00 0.00 179.24 177.17 1qpw h LYS 127 N 0.56 0.64 0.28 0.28 1.57 -0.81 -1.90 116.57 117.19 1qpw h LYS 127 Ca 0.03 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1qpw h LYS 127 Cb 1.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1qpw h LYS 127 CO 0.10 0.94 -0.28 0.35 -0.57 0.00 0.00 179.45 179.99 1qpw h PHE 128 N 0.53 -0.75 -0.46 -1.35 3.57 -0.62 0.67 116.94 118.52 1qpw h PHE 128 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1qpw h PHE 128 Cb 0.94 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1qpw h PHE 128 CO 0.04 -0.41 0.22 -0.07 -2.23 0.00 0.00 178.31 175.86 1qpw h LEU 129 N -0.59 0.58 -0.42 0.59 4.07 -0.91 0.81 115.31 119.44 1qpw h LEU 129 Ca -0.01 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.76 1qpw h LEU 129 Cb 0.55 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1qpw h LEU 129 CO -0.06 0.50 -0.28 0.00 -1.08 0.00 0.00 178.44 177.52 1qpw h ALA 130 N 1.59 0.59 -0.62 1.53 0.00 -1.06 -0.39 119.26 120.91 1qpw h ALA 130 Ca 0.16 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1qpw h ALA 130 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1qpw h ALA 130 CO -0.02 0.62 0.02 -0.91 0.00 0.00 0.00 179.25 178.97 1qpw h ASN 131 N 0.75 1.05 -0.60 0.00 -0.26 -0.25 -2.32 115.58 113.95 1qpw h ASN 131 Ca 0.08 -0.30 -0.05 0.00 -0.56 0.00 0.00 56.30 55.48 1qpw h ASN 131 Cb 0.86 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 1qpw h ASN 131 CO 0.08 1.09 0.18 0.58 -1.06 0.00 0.00 177.43 178.30 1qpw h VAL 132 N 0.98 1.24 -0.72 2.81 2.07 -0.51 -2.91 116.25 119.22 1qpw h VAL 132 Ca 0.18 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1qpw h VAL 132 Cb 0.54 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1qpw h VAL 132 CO 0.03 0.31 0.30 0.28 0.02 0.00 0.00 177.57 178.51 1qpw h SER 133 N 0.85 0.97 -0.43 0.57 0.02 -1.05 -2.04 113.55 112.44 1qpw h SER 133 Ca 0.19 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1qpw h SER 133 Cb 0.29 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1qpw h SER 133 CO -0.01 0.87 0.20 0.74 -1.14 0.00 0.00 176.83 177.49 1qpw h THR 134 N 1.02 0.94 -0.05 -2.27 2.02 -1.34 -2.31 112.91 110.91 1qpw h THR 134 Ca 0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1qpw h THR 134 Cb 0.19 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1qpw h THR 134 CO -0.02 0.07 0.01 0.58 0.37 0.00 0.00 175.52 176.53 1qpw h VAL 135 N 0.40 1.19 0.00 3.16 2.07 -1.31 -2.92 116.25 118.84 1qpw h VAL 135 Ca 0.19 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1qpw h VAL 135 Cb 0.13 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1qpw h VAL 135 CO -0.15 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1qpw n LEU 136 N -4.93 0.00 -0.20 2.57 4.77 -0.79 -2.13 117.00 116.30 1qpw n LEU 136 Ca -0.07 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1qpw n LEU 136 Cb 0.14 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1qpw n LEU 136 CO 0.34 -0.05 0.54 0.41 -1.33 0.00 0.00 177.39 177.31 1qpw n THR 137 N -1.13 1.09 -0.03 -5.08 -1.04 -0.90 -3.70 114.28 103.48 1qpw n THR 137 Ca 0.13 -1.10 -0.14 0.00 -2.04 0.00 0.00 64.05 60.90 1qpw n THR 137 Cb 0.11 0.44 -0.09 0.00 -1.82 0.00 0.00 70.33 68.96 1qpw n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1qpw h SER 138 N 0.59 0.23 -0.75 8.00 0.02 -1.23 -3.41 113.55 117.00 1qpw h SER 138 Ca 0.00 -0.61 -0.71 0.00 -0.84 0.00 0.00 61.79 59.63 1qpw h SER 138 Cb 0.62 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.00 1qpw h SER 138 CO 0.01 0.80 2.45 0.29 -1.14 0.00 0.00 176.83 179.24 1qpw n LYS 139 N -4.60 3.14 -0.01 3.45 4.01 -1.26 -4.74 118.16 118.16 1qpw n LYS 139 Ca -0.08 -3.11 -0.20 0.00 -0.51 0.00 0.00 58.31 54.40 1qpw n LYS 139 Cb 0.40 -3.28 -0.14 0.00 -0.51 0.00 0.00 35.03 31.51 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 6.62 0.35 0.00 2.13 0.05 -1.89 -2.54 116.97 121.69 1qpw h TYR 140 Ca 0.47 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1qpw h TYR 140 Cb 0.74 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.47 1qpw h TYR 140 CO 1.38 1.43 0.00 0.54 -1.05 0.00 0.00 178.16 180.45