#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgh s LEU 2 N 0.00 3.93 0.00 7.52 1.43 -1.26 -4.98 118.68 125.32 2pgh s LEU 2 Ca 0.00 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 2pgh s LEU 2 Cb 0.00 -3.22 0.14 0.00 0.03 0.00 0.00 46.19 43.14 2pgh s LEU 2 CO 0.00 -1.12 0.88 -1.54 0.23 0.00 0.00 176.35 174.80 2pgh n SER 3 N 7.36 0.70 -0.25 2.29 3.41 -1.26 -4.75 113.62 121.11 2pgh n SER 3 Ca 0.07 -1.70 -0.06 0.00 -0.26 0.00 0.00 58.87 56.92 2pgh n SER 3 Cb 0.49 -0.62 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 2pgh n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pgh h ALA 4 N -1.04 0.89 -0.61 7.33 0.00 -1.99 0.58 119.26 124.41 2pgh h ALA 4 Ca -0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2pgh h ALA 4 Cb 0.95 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2pgh h ALA 4 CO 0.26 0.39 0.34 0.00 0.00 0.00 0.00 179.25 180.24 2pgh h ALA 5 N 1.20 0.79 -0.01 0.00 0.00 -1.98 -0.27 119.26 118.99 2pgh h ALA 5 Ca 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pgh h ALA 5 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2pgh h ALA 5 CO -0.04 0.30 0.00 -0.44 0.00 0.00 0.00 179.25 179.07 2pgh h ASP 6 N 0.83 0.01 0.07 0.00 3.32 -1.63 0.13 116.42 119.16 2pgh h ASP 6 Ca 0.22 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2pgh h ASP 6 Cb 0.04 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2pgh h ASP 6 CO -0.03 0.16 -0.30 0.11 -1.72 0.00 0.00 179.24 177.45 2pgh h LYS 7 N -0.13 -0.48 0.00 3.56 1.57 0.60 -0.24 116.57 121.45 2pgh h LYS 7 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2pgh h LYS 7 Cb 0.15 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pgh h LYS 7 CO -0.00 -0.32 -0.01 0.00 -0.57 0.00 0.00 179.45 178.55 2pgh h ALA 8 N 0.21 1.01 0.15 3.86 0.00 -1.01 -1.63 119.26 121.85 2pgh h ALA 8 Ca 0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 2pgh h ALA 8 Cb 0.55 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.37 2pgh h ALA 8 CO -0.21 0.01 -1.29 -0.91 0.00 0.00 0.00 179.25 176.85 2pgh h ASN 9 N 0.00 0.81 0.57 0.00 2.35 0.29 -2.46 115.58 117.13 2pgh h ASN 9 Ca -0.00 -0.78 -0.03 0.00 -0.55 0.00 0.00 56.30 54.94 2pgh h ASN 9 Cb 0.39 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.51 2pgh h ASN 9 CO 0.00 1.59 -0.27 0.58 -1.65 0.00 0.00 177.43 177.68 2pgh h VAL 10 N 0.22 0.00 -0.45 2.81 2.07 -0.79 -1.39 116.25 118.71 2pgh h VAL 10 Ca -0.20 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2pgh h VAL 10 Cb 1.97 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 2pgh h VAL 10 CO 0.24 0.00 -0.23 0.11 0.02 0.00 0.00 177.57 177.71 2pgh h LYS 11 N -0.99 -0.13 0.00 1.57 1.57 -1.44 0.80 116.57 117.96 2pgh h LYS 11 Ca -0.08 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2pgh h LYS 11 Cb 0.59 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2pgh h LYS 11 CO 0.13 -0.09 -0.01 0.00 -0.57 0.00 0.00 179.45 178.91 2pgh h ALA 12 N 1.13 1.04 0.07 3.86 0.00 -1.49 0.62 119.26 124.48 2pgh h ALA 12 Ca 0.21 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 2pgh h ALA 12 Cb 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2pgh h ALA 12 CO -0.53 0.01 -2.12 0.00 0.00 0.00 0.00 179.25 176.61 2pgh n ALA 13 N -2.10 1.16 -0.06 0.00 0.00 0.22 -4.14 120.51 115.59 2pgh n ALA 13 Ca -0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 2pgh n ALA 13 Cb 0.13 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 2pgh n ALA 13 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2pgh h TRP 14 N 0.04 1.05 -0.89 0.00 2.91 0.46 -2.99 115.95 116.53 2pgh h TRP 14 Ca -0.46 -0.41 0.19 0.00 1.13 0.00 0.00 58.89 59.34 2pgh h TRP 14 Cb 2.01 -0.18 -0.11 0.00 -0.51 0.00 0.00 29.16 30.37 2pgh h TRP 14 CO 0.05 1.24 0.44 0.78 -1.03 0.00 0.00 178.44 179.91 2pgh h GLY 15 N 0.57 1.51 1.00 2.65 0.00 -1.08 0.17 103.07 107.89 2pgh h GLY 15 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2pgh h GLY 15 CO 0.13 -0.17 0.28 0.50 0.00 0.00 0.00 176.54 177.28 2pgh h LYS 16 N 0.52 0.91 -0.88 4.80 1.79 -1.68 -2.85 116.57 119.18 2pgh h LYS 16 Ca 0.53 -0.15 0.23 0.00 -2.18 0.00 0.00 60.65 59.08 2pgh h LYS 16 Cb 0.91 -0.16 -0.14 0.00 -1.58 0.00 0.00 32.23 31.26 2pgh h LYS 16 CO -0.45 0.75 0.29 0.28 -1.08 0.00 0.00 179.45 179.24 2pgh h VAL 17 N 0.86 0.36 0.00 0.50 2.07 -0.61 -3.45 116.25 115.98 2pgh h VAL 17 Ca 0.21 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2pgh h VAL 17 Cb 0.16 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2pgh h VAL 17 CO -0.02 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.23 2pgh n GLY 18 N -1.36 2.92 0.26 2.17 0.00 -1.08 -3.10 105.19 104.99 2pgh n GLY 18 Ca 0.22 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.12 2pgh n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pgh h GLY 19 N 0.00 0.00 2.00 -0.02 0.00 -1.91 -3.07 103.07 100.06 2pgh h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pgh h GLY 19 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.00 2pgh h GLN 20 N 0.00 0.00 -0.72 4.80 4.20 -1.92 -3.29 115.11 118.18 2pgh h GLN 20 Ca -0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 2pgh h GLN 20 Cb 0.61 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.26 2pgh h GLN 20 CO 0.01 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.15 2pgh n ALA 21 N -1.93 0.34 -0.10 3.87 0.00 -1.16 0.45 120.51 121.98 2pgh n ALA 21 Ca -0.00 0.77 -0.10 0.00 0.00 0.00 0.00 53.44 54.10 2pgh n ALA 21 Cb 0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 2pgh n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pgh h GLY 22 N 0.00 0.53 2.00 0.00 0.00 -1.87 -0.42 103.07 103.31 2pgh h GLY 22 Ca 0.42 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2pgh h GLY 22 CO -0.68 0.32 -0.25 0.00 0.00 0.00 0.00 176.54 175.92 2pgh h ALA 23 N 0.90 1.42 0.00 3.60 0.00 -0.26 -2.14 119.26 122.79 2pgh h ALA 23 Ca 0.09 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2pgh h ALA 23 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2pgh h ALA 23 CO 0.00 0.32 -0.96 0.45 0.00 0.00 0.00 179.25 179.06 2pgh h HIS 24 N 0.00 0.00 -0.07 0.00 3.86 -0.89 -2.33 115.15 115.71 2pgh h HIS 24 Ca -0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.97 2pgh h HIS 24 Cb 0.50 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.98 2pgh h HIS 24 CO 0.00 0.29 -0.88 0.78 0.86 0.00 0.00 177.93 178.97 2pgh h GLY 25 N 3.82 0.75 0.72 2.45 0.00 -0.75 -3.02 103.07 107.03 2pgh h GLY 25 Ca -0.06 -1.17 -0.08 0.00 0.00 0.00 0.00 47.33 46.03 2pgh h GLY 25 CO 0.03 1.03 -0.22 0.00 0.00 0.00 0.00 176.54 177.38 2pgh h ALA 26 N 0.57 0.18 -0.30 3.60 0.00 -1.49 -2.91 119.26 118.90 2pgh h ALA 26 Ca -0.08 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2pgh h ALA 26 Cb 1.52 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2pgh h ALA 26 CO 0.17 0.14 -0.16 1.49 0.00 0.00 0.00 179.25 180.89 2pgh h GLU 27 N -0.07 -0.12 -0.21 0.00 4.81 -1.50 0.95 114.58 118.44 2pgh h GLU 27 Ca 0.00 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2pgh h GLU 27 Cb 0.81 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.15 2pgh h GLU 27 CO 0.05 -0.08 -0.28 0.00 -0.73 0.00 0.00 179.01 177.97 2pgh h ALA 28 N 1.08 -0.23 0.13 2.92 0.00 -1.55 0.57 119.26 122.18 2pgh h ALA 28 Ca 0.16 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2pgh h ALA 28 Cb 0.37 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2pgh h ALA 28 CO -0.38 -0.72 -0.36 -0.07 0.00 0.00 0.00 179.25 177.72 2pgh h LEU 29 N -0.31 -1.05 -1.55 0.00 3.38 -1.22 0.26 115.31 114.83 2pgh h LEU 29 Ca 0.12 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.40 2pgh h LEU 29 Cb 0.50 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2pgh h LEU 29 CO -0.38 -0.44 0.56 -0.08 0.09 0.00 0.00 178.44 178.18 2pgh h GLU 30 N -0.59 0.39 -0.10 1.13 4.81 0.06 0.36 114.58 120.63 2pgh h GLU 30 Ca 0.03 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2pgh h GLU 30 Cb 0.62 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2pgh h GLU 30 CO -0.21 0.26 -0.73 0.00 -0.73 0.00 0.00 179.01 177.60 2pgh h ARG 31 N 0.40 0.49 0.44 1.92 3.08 0.17 -3.17 114.38 117.72 2pgh h ARG 31 Ca 0.43 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2pgh h ARG 31 Cb 1.06 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2pgh h ARG 31 CO -0.15 1.03 -0.21 1.98 -1.07 0.00 0.00 179.97 181.54 2pgh h MET 32 N 0.34 -0.58 -0.84 0.04 4.05 0.31 0.14 114.93 118.39 2pgh h MET 32 Ca -0.03 0.04 0.19 0.00 -0.28 0.00 0.00 59.70 59.62 2pgh h MET 32 Cb 1.31 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 32.19 2pgh h MET 32 CO 0.13 -0.32 0.56 0.74 0.23 0.00 0.00 176.91 178.25 2pgh h PHE 33 N -0.71 0.45 0.07 1.39 0.04 -1.23 0.16 116.94 117.11 2pgh h PHE 33 Ca -0.06 0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.53 2pgh h PHE 33 Cb 0.52 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 2pgh h PHE 33 CO -0.02 0.14 -0.95 -0.07 -0.60 0.00 0.00 178.31 176.81 2pgh h LEU 34 N 0.35 0.25 -0.86 1.54 3.38 -1.48 -3.27 115.31 115.22 2pgh h LEU 34 Ca 0.43 -0.84 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 2pgh h LEU 34 Cb 1.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2pgh h LEU 34 CO -0.14 1.41 -0.52 1.23 0.09 0.00 0.00 178.44 180.52 2pgh h GLY 35 N -0.45 0.00 -6.44 0.83 0.00 -0.40 -3.39 103.07 93.22 2pgh h GLY 35 Ca -0.21 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.53 2pgh h GLY 35 CO 0.02 0.00 -0.93 -1.36 0.00 0.00 0.00 176.54 174.26 2pgh s PHE 36 N -3.65 1.35 0.42 5.60 0.08 0.53 -5.02 117.98 117.30 2pgh s PHE 36 Ca -0.01 -2.43 0.22 0.00 0.12 0.00 0.00 56.93 54.83 2pgh s PHE 36 Cb 0.12 -1.11 1.20 0.00 -0.57 0.00 0.00 43.02 42.66 2pgh s PHE 36 CO 0.73 -0.80 1.76 -1.35 -0.10 0.00 0.00 175.22 175.47 2pgh h PRO 37 N 5.62 0.30 0.00 0.24 0.11 -1.75 -0.83 132.00 135.69 2pgh h PRO 37 Ca 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2pgh h PRO 37 Cb 0.89 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2pgh h PRO 37 CO 0.41 0.20 0.05 0.25 -0.21 0.00 0.00 178.00 178.69 2pgh n THR 38 N -4.57 0.68 0.72 -1.15 -2.24 -1.26 0.30 114.28 106.75 2pgh n THR 38 Ca 0.26 0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.35 2pgh n THR 38 Cb 0.98 -1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 2pgh n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2pgh n THR 39 N -1.11 0.00 0.31 4.28 -2.24 -0.32 -4.34 114.28 110.87 2pgh n THR 39 Ca 0.00 -0.13 0.16 0.00 -2.27 0.00 0.00 64.05 61.81 2pgh n THR 39 Cb 0.05 0.83 0.69 0.00 -2.10 0.00 0.00 70.33 69.80 2pgh n THR 39 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2pgh h LYS 40 N 0.00 0.00 -0.32 -0.78 3.64 -0.34 -2.85 116.57 115.93 2pgh h LYS 40 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2pgh h LYS 40 Cb 0.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2pgh h LYS 40 CO 0.00 0.00 -0.18 1.79 -2.27 0.00 0.00 179.45 178.79 2pgh h THR 41 N 0.00 1.25 0.00 1.00 1.35 -1.76 -2.63 112.91 112.13 2pgh h THR 41 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2pgh h THR 41 Cb 0.34 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2pgh h THR 41 CO 0.00 0.39 0.00 -1.22 -0.25 0.00 0.00 175.52 174.44 2pgh n TYR 42 N -4.15 0.00 -3.02 4.73 4.02 -1.07 -3.27 117.16 114.39 2pgh n TYR 42 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 2pgh n TYR 42 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 2pgh n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2pgh n PHE 43 N -0.89 -1.45 1.91 -0.72 3.01 -0.99 -4.93 117.46 113.40 2pgh n PHE 43 Ca 0.01 -2.91 0.16 0.00 1.01 0.00 0.00 57.45 55.72 2pgh n PHE 43 Cb 0.00 0.39 0.88 0.00 -0.01 0.00 0.00 39.48 40.75 2pgh n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2pgh n PRO 44 N 1.32 1.07 0.00 -1.08 -0.04 -1.20 -3.47 135.00 131.59 2pgh n PRO 44 Ca 0.17 -0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 2pgh n PRO 44 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2pgh n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2pgh n HIS 45 N -0.85 0.00 -2.51 0.54 1.44 -1.26 -4.99 115.22 107.59 2pgh n HIS 45 Ca 0.23 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.71 2pgh n HIS 45 Cb 0.15 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.31 2pgh n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2pgh s PHE 46 N -2.05 2.88 -1.82 -1.40 0.40 -1.23 -4.98 117.98 109.78 2pgh s PHE 46 Ca 0.17 0.13 0.15 0.00 -0.60 0.00 0.00 56.93 56.78 2pgh s PHE 46 Cb 0.15 -2.89 0.46 0.00 0.51 0.00 0.00 43.02 41.26 2pgh s PHE 46 CO 0.43 -1.03 1.37 0.09 0.70 0.00 0.00 175.22 176.77 2pgh n ASN 47 N -2.52 2.87 -0.79 1.36 4.13 -1.26 -4.95 115.26 114.10 2pgh n ASN 47 Ca 0.08 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.27 2pgh n ASN 47 Cb 0.60 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 2pgh n ASN 47 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2pgh n LEU 48 N 0.91 0.00 0.00 3.41 4.77 -1.26 -4.85 117.00 119.98 2pgh n LEU 48 Ca 0.17 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.96 2pgh n LEU 48 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2pgh n LEU 48 CO 0.13 0.00 -0.13 -0.24 -1.33 0.00 0.00 177.39 175.81 2pgh n SER 49 N 0.19 2.80 -4.56 -1.43 2.88 -1.26 -4.99 113.62 107.25 2pgh n SER 49 Ca 0.00 -2.31 -0.32 0.00 -1.33 0.00 0.00 58.87 54.91 2pgh n SER 49 Cb 0.00 0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 2pgh n SER 49 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2pgh s HIS 50 N -2.06 1.89 0.08 0.66 2.46 -1.26 -4.40 115.29 112.65 2pgh s HIS 50 Ca 0.01 0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.98 2pgh s HIS 50 Cb -0.00 -4.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 2pgh s HIS 50 CO 0.01 -1.92 0.00 0.41 -2.47 0.00 0.00 174.74 170.76 2pgh n GLY 51 N 6.51 -5.06 3.01 1.59 0.00 -1.26 -5.07 105.19 104.90 2pgh n GLY 51 Ca 0.33 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 2pgh n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgh s SER 52 N -0.51 -0.06 0.00 1.61 1.04 -1.26 -5.01 113.70 109.50 2pgh s SER 52 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2pgh s SER 52 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2pgh s SER 52 CO 0.00 -0.13 0.00 -0.67 0.98 0.00 0.00 173.24 173.42 2pgh n ASP 53 N 2.58 0.00 0.14 7.02 -0.08 -1.26 -1.44 116.55 123.52 2pgh n ASP 53 Ca -0.15 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.06 2pgh n ASP 53 Cb 0.58 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.01 2pgh n ASP 53 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2pgh h GLN 54 N 0.00 -0.38 -0.78 -0.67 7.50 -1.97 0.22 115.11 119.02 2pgh h GLN 54 Ca 0.00 0.03 0.17 0.00 0.50 0.00 0.00 58.65 59.35 2pgh h GLN 54 Cb 0.00 0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.57 2pgh h GLN 54 CO 0.00 -0.26 0.53 0.28 -1.50 0.00 0.00 178.83 177.88 2pgh h VAL 55 N -0.40 0.73 0.05 -0.54 2.07 -1.61 0.64 116.25 117.19 2pgh h VAL 55 Ca -0.04 -0.11 -0.28 0.00 0.82 0.00 0.00 66.70 67.09 2pgh h VAL 55 Cb 0.32 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2pgh h VAL 55 CO 0.04 0.06 -1.49 0.07 0.02 0.00 0.00 177.57 176.26 2pgh h LYS 56 N 0.32 0.10 -0.54 1.57 2.10 -1.66 0.37 116.57 118.84 2pgh h LYS 56 Ca 0.39 -0.18 -0.05 0.00 -2.00 0.00 0.00 60.65 58.81 2pgh h LYS 56 Cb 1.04 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 2pgh h LYS 56 CO -0.11 0.88 0.15 0.00 -2.00 0.00 0.00 179.45 178.37 2pgh h ALA 57 N 0.76 0.71 -0.01 0.07 0.00 0.90 0.42 119.26 122.11 2pgh h ALA 57 Ca -0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pgh h ALA 57 Cb 1.96 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2pgh h ALA 57 CO 0.12 0.39 -0.01 1.25 0.00 0.00 0.00 179.25 181.00 2pgh h HIS 58 N 0.76 0.02 -0.24 0.00 -0.00 0.21 -2.92 115.15 112.98 2pgh h HIS 58 Ca 0.17 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.59 2pgh h HIS 58 Cb 0.31 -0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.64 2pgh h HIS 58 CO 0.02 0.57 -0.33 0.78 -0.00 0.00 0.00 177.93 178.97 2pgh h GLY 59 N -0.53 -0.39 -0.67 5.26 0.00 -0.24 0.58 103.07 107.08 2pgh h GLY 59 Ca 0.00 0.41 0.34 0.00 0.00 0.00 0.00 47.33 48.08 2pgh h GLY 59 CO 0.00 -0.21 0.49 -1.61 0.00 0.00 0.00 176.54 175.21 2pgh h GLN 60 N -0.34 0.20 -0.13 4.80 4.15 -0.85 0.88 115.11 123.82 2pgh h GLN 60 Ca 0.12 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 2pgh h GLN 60 Cb 0.55 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2pgh h GLN 60 CO -0.43 0.13 -0.44 0.87 -1.93 0.00 0.00 178.83 177.02 2pgh h LYS 61 N 0.20 0.52 -1.01 1.69 1.57 -0.74 -3.10 116.57 115.71 2pgh h LYS 61 Ca 0.74 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 2pgh h LYS 61 Cb 1.74 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 34.06 2pgh h LYS 61 CO -0.68 1.02 0.66 0.28 -0.57 0.00 0.00 179.45 180.16 2pgh h VAL 62 N 0.13 1.19 0.00 0.50 2.07 0.26 -1.03 116.25 119.36 2pgh h VAL 62 Ca -0.02 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2pgh h VAL 62 Cb 1.07 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2pgh h VAL 62 CO 0.09 0.23 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 2pgh h ALA 63 N 1.41 1.09 0.02 1.67 0.00 -1.09 -2.22 119.26 120.13 2pgh h ALA 63 Ca 0.40 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 2pgh h ALA 63 Cb -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2pgh h ALA 63 CO -0.12 0.01 -1.83 -0.25 0.00 0.00 0.00 179.25 177.06 2pgh n ASP 64 N -3.22 1.02 -0.09 0.00 9.92 -0.42 -3.08 116.55 120.67 2pgh n ASP 64 Ca -0.02 0.33 -0.10 0.00 -0.53 0.00 0.00 54.79 54.47 2pgh n ASP 64 Cb 0.12 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.47 2pgh n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pgh h ALA 65 N 0.83 0.36 -0.46 2.24 0.00 -1.04 -1.12 119.26 120.06 2pgh h ALA 65 Ca -0.34 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2pgh h ALA 65 Cb 2.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 2pgh h ALA 65 CO 0.07 -0.00 0.28 -0.07 0.00 0.00 0.00 179.25 179.53 2pgh h LEU 66 N 0.27 0.46 -1.86 0.00 3.38 -1.65 -0.24 115.31 115.66 2pgh h LEU 66 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2pgh h LEU 66 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pgh h LEU 66 CO -0.00 0.33 -0.10 0.74 0.09 0.00 0.00 178.44 179.50 2pgh h THR 67 N 0.56 0.99 0.05 0.22 2.02 -1.39 0.48 112.91 115.85 2pgh h THR 67 Ca 0.18 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2pgh h THR 67 Cb -0.00 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2pgh h THR 67 CO -0.08 0.09 -0.02 0.50 0.37 0.00 0.00 175.52 176.38 2pgh h LYS 68 N 0.00 -0.06 0.42 6.66 3.64 -0.19 -2.45 116.57 124.59 2pgh h LYS 68 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2pgh h LYS 68 Cb 0.18 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2pgh h LYS 68 CO 0.01 0.43 -0.43 0.00 -2.27 0.00 0.00 179.45 177.19 2pgh h ALA 69 N 0.31 -0.94 -0.24 5.00 0.00 -0.17 0.22 119.26 123.44 2pgh h ALA 69 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2pgh h ALA 69 Cb 0.52 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2pgh h ALA 69 CO 0.01 -1.07 0.61 0.28 0.00 0.00 0.00 179.25 179.08 2pgh h VAL 70 N -0.87 0.10 -0.04 0.00 2.07 -0.14 1.46 116.25 118.84 2pgh h VAL 70 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2pgh h VAL 70 Cb 0.77 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2pgh h VAL 70 CO -0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.13 2pgh n GLY 71 N -1.41 0.73 1.20 2.17 0.00 -0.06 -4.44 105.19 103.37 2pgh n GLY 71 Ca 0.04 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.48 2pgh n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pgh n HIS 72 N 1.19 0.00 -0.39 1.61 -0.00 0.47 -4.93 115.22 113.16 2pgh n HIS 72 Ca 0.12 -0.35 0.32 0.00 -0.00 0.00 0.00 57.72 57.81 2pgh n HIS 72 Cb 0.53 -0.11 0.59 0.00 -0.00 0.00 0.00 29.99 30.99 2pgh n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2pgh h LEU 73 N 0.69 0.34 -1.40 2.41 3.38 -0.77 0.13 115.31 120.10 2pgh h LEU 73 Ca -0.17 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2pgh h LEU 73 Cb 1.74 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 2pgh h LEU 73 CO 0.07 -0.16 0.48 0.44 0.09 0.00 0.00 178.44 179.36 2pgh h ASP 74 N 0.17 0.62 -1.95 -0.43 5.19 -1.92 -3.35 116.42 114.75 2pgh h ASP 74 Ca 0.77 0.01 -0.44 0.00 -0.62 0.00 0.00 57.03 56.76 2pgh h ASP 74 Cb 2.20 -0.12 -0.31 0.00 0.18 0.00 0.00 39.33 41.27 2pgh h ASP 74 CO -0.48 0.39 -0.79 -0.62 -3.12 0.00 0.00 179.24 174.61 2pgh s ASP 75 N -6.14 0.74 -0.05 6.45 2.15 0.46 -5.03 116.67 115.26 2pgh s ASP 75 Ca -0.09 -2.38 -0.26 0.00 0.43 0.00 0.00 52.55 50.25 2pgh s ASP 75 Cb 0.20 0.35 -0.22 0.00 -0.30 0.00 0.00 42.92 42.95 2pgh s ASP 75 CO 0.77 -0.17 1.12 -0.07 -0.17 0.00 0.00 175.17 176.65 2pgh h LEU 76 N 5.87 0.07 -0.84 -1.34 3.38 -1.69 -3.31 115.31 117.45 2pgh h LEU 76 Ca 0.16 -0.65 0.09 0.00 0.09 0.00 0.00 57.88 57.57 2pgh h LEU 76 Cb 0.99 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 2pgh h LEU 76 CO 0.24 0.71 -0.44 -2.65 0.09 0.00 0.00 178.44 176.38 2pgh n PRO 77 N -4.72 -0.32 0.21 1.13 -0.02 -1.26 -0.64 135.00 129.39 2pgh n PRO 77 Ca -0.09 1.28 -0.15 0.00 -2.02 0.00 0.00 63.50 62.52 2pgh n PRO 77 Cb 0.35 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 2pgh n PRO 77 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2pgh h GLY 78 N 0.00 -0.50 -1.89 -1.23 0.00 -1.99 -2.13 103.07 95.33 2pgh h GLY 78 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2pgh h GLY 78 CO -0.80 -0.18 0.00 0.00 0.00 0.00 0.00 176.54 175.55 2pgh n ALA 79 N -2.30 2.22 -1.88 3.60 0.00 0.18 -2.40 120.51 119.92 2pgh n ALA 79 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2pgh n ALA 79 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2pgh n ALA 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pgh n LEU 80 N 0.58 0.00 0.13 0.00 -0.00 -0.40 -4.78 117.00 112.52 2pgh n LEU 80 Ca 0.00 -0.59 -0.15 0.00 -0.00 0.00 0.00 56.01 55.27 2pgh n LEU 80 Cb 0.35 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.69 2pgh n LEU 80 CO 0.00 0.55 0.58 0.28 -0.00 0.00 0.00 177.39 178.81 2pgh h SER 81 N 0.00 -1.24 0.00 1.96 0.02 -1.04 -2.78 113.55 110.46 2pgh h SER 81 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2pgh h SER 81 Cb 1.02 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2pgh h SER 81 CO 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 176.83 175.19 2pgh n ALA 82 N -2.82 -0.03 -0.29 3.77 0.00 -1.26 -2.17 120.51 117.69 2pgh n ALA 82 Ca -0.08 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.63 2pgh n ALA 82 Cb 0.38 0.17 0.50 0.00 0.00 0.00 0.00 19.45 20.50 2pgh n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pgh n LEU 83 N -1.08 0.26 -0.06 0.00 4.77 -1.24 0.80 117.00 120.44 2pgh n LEU 83 Ca 0.00 1.51 0.05 0.00 -0.03 0.00 0.00 56.01 57.54 2pgh n LEU 83 Cb 0.00 -0.71 0.41 0.00 -2.33 0.00 0.00 43.42 40.79 2pgh n LEU 83 CO 0.00 -1.67 1.18 0.28 -1.33 0.00 0.00 177.39 175.86 2pgh h SER 84 N 0.00 0.53 0.33 -1.43 0.02 -1.14 0.49 113.55 112.35 2pgh h SER 84 Ca 0.74 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 2pgh h SER 84 Cb 1.91 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2pgh h SER 84 CO -0.72 0.37 -0.23 -0.67 -1.14 0.00 0.00 176.83 174.44 2pgh n ASP 85 N -4.47 0.76 -0.03 3.07 2.03 0.24 -1.27 116.55 116.89 2pgh n ASP 85 Ca 0.06 -0.67 -0.03 0.00 0.52 0.00 0.00 54.79 54.66 2pgh n ASP 85 Cb 0.12 0.07 -0.13 0.00 -0.72 0.00 0.00 41.12 40.46 2pgh n ASP 85 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2pgh n LEU 86 N -0.87 0.46 -0.06 -2.67 0.00 -0.02 -3.11 117.00 110.73 2pgh n LEU 86 Ca 0.12 0.21 -0.02 0.00 0.00 0.00 0.00 56.01 56.31 2pgh n LEU 86 Cb 0.33 0.22 -0.14 0.00 0.00 0.00 0.00 43.42 43.83 2pgh n LEU 86 CO 0.26 0.28 -0.94 1.41 0.00 0.00 0.00 177.39 178.40 2pgh n HIS 87 N -2.78 0.00 -1.76 1.96 8.25 -0.16 -1.60 115.22 119.13 2pgh n HIS 87 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.98 2pgh n HIS 87 Cb 0.94 -0.70 0.05 0.00 1.12 0.00 0.00 29.99 31.40 2pgh n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pgh n ALA 88 N -2.47 5.73 0.01 -1.41 0.00 -0.39 -0.28 120.51 121.69 2pgh n ALA 88 Ca -0.20 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2pgh n ALA 88 Cb 0.86 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2pgh n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2pgh n HIS 89 N -0.76 -1.13 0.27 0.00 -0.00 -1.26 -2.25 115.22 110.08 2pgh n HIS 89 Ca 0.53 0.09 -0.14 0.00 -0.00 0.00 0.00 57.72 58.19 2pgh n HIS 89 Cb 0.74 0.39 -0.07 0.00 -0.00 0.00 0.00 29.99 31.05 2pgh n HIS 89 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2pgh h LYS 90 N 0.00 -0.68 0.00 -0.41 6.56 -1.68 -3.35 116.57 117.01 2pgh h LYS 90 Ca 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2pgh h LYS 90 Cb 0.00 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2pgh h LYS 90 CO 0.00 -0.37 -0.94 1.28 -2.06 0.00 0.00 179.45 177.36 2pgh n LEU 91 N -5.28 0.67 -4.03 2.94 4.77 -0.63 -4.98 117.00 110.46 2pgh n LEU 91 Ca -0.11 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2pgh n LEU 91 Cb 0.32 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2pgh n LEU 91 CO 0.30 -0.05 -0.07 0.54 -1.33 0.00 0.00 177.39 176.78 2pgh n ARG 92 N -2.21 -3.85 -1.82 3.23 5.12 -1.05 -4.82 116.66 111.26 2pgh n ARG 92 Ca 0.02 0.45 -0.43 0.00 -1.93 0.00 0.00 57.85 55.96 2pgh n ARG 92 Cb 0.47 -4.99 -0.03 0.00 -1.16 0.00 0.00 32.46 26.75 2pgh n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pgh s VAL 93 N -3.55 3.27 -0.30 1.55 1.01 0.61 -4.87 120.40 118.12 2pgh s VAL 93 Ca 0.41 0.29 -0.39 0.00 0.00 0.00 0.00 61.98 62.29 2pgh s VAL 93 Cb -0.22 -3.32 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 2pgh s VAL 93 CO 0.88 -0.17 1.85 -0.67 0.00 0.00 0.00 175.10 177.00 2pgh n ASP 94 N 10.14 2.32 -0.27 3.32 -0.08 -1.26 -4.85 116.55 125.86 2pgh n ASP 94 Ca 0.24 0.93 0.17 0.00 -1.51 0.00 0.00 54.79 54.63 2pgh n ASP 94 Cb 0.45 -1.16 0.32 0.00 2.34 0.00 0.00 41.12 43.07 2pgh n ASP 94 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2pgh n PRO 95 N 6.08 -0.06 0.00 -0.67 -0.02 -1.26 -0.81 135.00 138.25 2pgh n PRO 95 Ca 0.30 1.16 0.08 0.00 -2.02 0.00 0.00 63.50 63.03 2pgh n PRO 95 Cb 0.14 -1.93 0.47 0.00 -0.02 0.00 0.00 33.50 32.16 2pgh n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pgh n VAL 96 N -5.01 0.23 0.45 -1.45 0.31 -1.26 -2.43 118.33 109.17 2pgh n VAL 96 Ca 0.23 0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.74 2pgh n VAL 96 Cb 0.76 -0.79 0.24 0.00 -0.91 0.00 0.00 33.84 33.15 2pgh n VAL 96 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2pgh h ASN 97 N 0.00 0.00 1.27 4.52 2.35 -1.33 -2.95 115.58 119.44 2pgh h ASN 97 Ca 0.00 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2pgh h ASN 97 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2pgh h ASN 97 CO 0.00 0.03 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.17 2pgh h PHE 98 N 0.00 0.00 -0.09 1.19 0.04 -1.67 -1.79 116.94 114.62 2pgh h PHE 98 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2pgh h PHE 98 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2pgh h PHE 98 CO 0.00 0.38 -0.81 0.87 -0.60 0.00 0.00 178.31 178.15 2pgh h LYS 99 N 0.00 0.58 0.00 1.51 1.57 -1.67 -2.17 116.57 116.39 2pgh h LYS 99 Ca -0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2pgh h LYS 99 Cb 1.11 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2pgh h LYS 99 CO 0.05 1.13 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.94 2pgh h LEU 100 N 0.38 0.00 0.00 2.94 3.38 -1.48 -2.89 115.31 117.63 2pgh h LEU 100 Ca -0.06 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 2pgh h LEU 100 Cb 1.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 2pgh h LEU 100 CO 0.15 0.00 -1.32 0.25 0.09 0.00 0.00 178.44 177.61 2pgh h LEU 101 N 0.00 0.00 0.28 1.67 5.85 -1.25 -3.27 115.31 118.59 2pgh h LEU 101 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2pgh h LEU 101 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2pgh h LEU 101 CO 0.00 0.93 -0.14 0.28 -0.34 0.00 0.00 178.44 179.18 2pgh h SER 102 N 0.00 -0.32 -0.86 1.25 0.02 -1.42 -2.56 113.55 109.66 2pgh h SER 102 Ca -0.15 -0.21 0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2pgh h SER 102 Cb 1.84 0.08 -0.10 0.00 0.14 0.00 0.00 62.40 64.36 2pgh h SER 102 CO 0.10 0.10 -0.51 -0.74 -1.14 0.00 0.00 176.83 174.64 2pgh h HIS 103 N -0.82 -1.65 -0.64 3.45 -0.00 -1.66 0.46 115.15 114.29 2pgh h HIS 103 Ca -0.04 0.11 0.13 0.00 -0.00 0.00 0.00 60.37 60.57 2pgh h HIS 103 Cb 0.51 0.83 -0.04 0.00 -0.00 0.00 0.00 27.41 28.72 2pgh h HIS 103 CO 0.04 -0.32 0.44 0.00 -0.00 0.00 0.00 177.93 178.08 2pgh h LEU 105 N 0.32 0.34 -0.26 0.00 5.85 0.27 0.33 115.31 122.16 2pgh h LEU 105 Ca 0.31 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2pgh h LEU 105 Cb 0.77 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2pgh h LEU 105 CO -0.08 0.87 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.53 2pgh h LEU 106 N 0.22 0.71 -1.60 2.25 4.07 0.15 0.11 115.31 121.22 2pgh h LEU 106 Ca -0.01 -0.48 -0.04 0.00 0.08 0.00 0.00 57.88 57.43 2pgh h LEU 106 Cb 1.13 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2pgh h LEU 106 CO 0.10 1.05 -0.20 0.58 -1.08 0.00 0.00 178.44 178.89 2pgh h VAL 107 N 0.38 0.76 0.03 1.22 2.07 -0.60 -1.27 116.25 118.84 2pgh h VAL 107 Ca 0.04 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2pgh h VAL 107 Cb 0.86 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2pgh h VAL 107 CO 0.07 0.20 -0.01 0.74 0.02 0.00 0.00 177.57 178.58 2pgh h THR 108 N 0.00 1.34 -0.08 2.57 2.02 -0.63 -2.76 112.91 115.39 2pgh h THR 108 Ca -0.00 -1.79 0.03 0.00 0.77 0.00 0.00 66.41 65.41 2pgh h THR 108 Cb 0.48 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 2pgh h THR 108 CO 0.03 0.42 -0.10 -0.07 0.37 0.00 0.00 175.52 176.17 2pgh h LEU 109 N -0.90 -0.30 -1.85 2.58 4.07 -0.72 -2.61 115.31 115.58 2pgh h LEU 109 Ca -0.00 0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.08 2pgh h LEU 109 Cb 0.72 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 2pgh h LEU 109 CO 0.01 -0.14 0.24 0.00 -1.08 0.00 0.00 178.44 177.47 2pgh h ALA 110 N 0.91 2.09 0.04 1.53 0.00 -1.36 0.51 119.26 122.97 2pgh h ALA 110 Ca 0.06 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2pgh h ALA 110 Cb 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2pgh h ALA 110 CO -0.15 -0.16 -1.05 0.00 0.00 0.00 0.00 179.25 177.89 2pgh h ALA 111 N 1.82 0.23 0.10 0.00 0.00 -1.16 -3.26 119.26 116.99 2pgh h ALA 111 Ca 0.15 -0.74 -0.30 0.00 0.00 0.00 0.00 54.91 54.03 2pgh h ALA 111 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2pgh h ALA 111 CO -0.03 0.79 -1.52 0.45 0.00 0.00 0.00 179.25 178.95 2pgh h HIS 112 N 0.25 0.37 -1.41 0.00 -0.00 -1.01 -3.40 115.15 109.94 2pgh h HIS 112 Ca -0.11 -0.27 -0.56 0.00 -0.00 0.00 0.00 60.37 59.43 2pgh h HIS 112 Cb 1.70 -0.01 -0.42 0.00 -0.00 0.00 0.00 27.41 28.68 2pgh h HIS 112 CO 0.08 1.33 -0.79 -2.39 -0.00 0.00 0.00 177.93 176.15 2pgh n HIS 113 N -3.40 3.11 0.00 2.45 1.44 0.10 -4.94 115.22 113.97 2pgh n HIS 113 Ca -0.16 -3.03 0.00 0.00 -2.01 0.00 0.00 57.72 52.53 2pgh n HIS 113 Cb 1.04 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 31.02 2pgh n HIS 113 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2pgh n PRO 114 N -0.44 0.00 -0.00 -1.40 -0.04 -1.23 -2.02 135.00 129.86 2pgh n PRO 114 Ca 0.36 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 2pgh n PRO 114 Cb 0.70 -0.99 -0.04 0.00 -0.04 0.00 0.00 33.50 33.12 2pgh n PRO 114 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2pgh n ASP 115 N -0.30 3.68 0.02 3.54 8.00 -1.26 -4.59 116.55 125.64 2pgh n ASP 115 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2pgh n ASP 115 Cb 0.00 1.22 -0.14 0.00 -0.02 0.00 0.00 41.12 42.18 2pgh n ASP 115 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2pgh h ASP 116 N 0.00 0.24 0.00 -2.24 3.58 -1.85 -3.42 116.42 112.73 2pgh h ASP 116 Ca -0.01 -0.43 -0.28 0.00 0.42 0.00 0.00 57.03 56.73 2pgh h ASP 116 Cb 0.34 -0.08 0.05 0.00 1.72 0.00 0.00 39.33 41.36 2pgh h ASP 116 CO 0.00 1.38 1.47 0.33 -2.88 0.00 0.00 179.24 179.53 2pgh n PHE 117 N -3.31 0.38 -2.35 0.28 7.35 -1.20 -4.76 117.46 113.86 2pgh n PHE 117 Ca -0.20 -0.84 -0.28 0.00 -0.76 0.00 0.00 57.45 55.36 2pgh n PHE 117 Cb 1.04 -0.91 0.01 0.00 0.35 0.00 0.00 39.48 39.97 2pgh n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2pgh s ASN 118 N 5.31 6.15 0.47 -2.13 2.20 -1.26 -4.78 114.94 120.89 2pgh s ASN 118 Ca 0.30 1.06 0.33 0.00 -0.94 0.00 0.00 52.86 53.62 2pgh s ASN 118 Cb 0.07 -2.24 1.47 0.00 -2.00 0.00 0.00 41.25 38.54 2pgh s ASN 118 CO 0.10 -0.75 1.65 -0.65 -2.94 0.00 0.00 177.10 174.51 2pgh h PRO 119 N -0.02 0.09 -0.02 3.55 0.11 -1.99 0.27 132.00 134.00 2pgh h PRO 119 Ca -0.46 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 2pgh h PRO 119 Cb 1.21 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.31 2pgh h PRO 119 CO 0.62 0.06 -0.79 0.77 -0.21 0.00 0.00 178.00 178.45 2pgh h SER 120 N 0.09 0.72 -0.42 -2.05 0.02 -1.95 -1.00 113.55 108.96 2pgh h SER 120 Ca 0.79 -0.74 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2pgh h SER 120 Cb 2.65 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.95 2pgh h SER 120 CO -0.28 1.36 0.17 0.58 -1.14 0.00 0.00 176.83 177.52 2pgh h VAL 121 N 0.15 1.19 0.70 2.27 2.07 -0.84 0.40 116.25 122.19 2pgh h VAL 121 Ca -0.09 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2pgh h VAL 121 Cb 1.47 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2pgh h VAL 121 CO 0.16 0.23 -0.34 -0.74 0.02 0.00 0.00 177.57 176.90 2pgh h HIS 122 N 0.68 -0.87 -0.71 1.57 6.17 -1.03 0.38 115.15 121.34 2pgh h HIS 122 Ca 0.16 -0.02 0.15 0.00 0.71 0.00 0.00 60.37 61.38 2pgh h HIS 122 Cb 0.17 0.29 -0.11 0.00 2.52 0.00 0.00 27.41 30.27 2pgh h HIS 122 CO 0.01 -0.54 0.11 0.00 0.71 0.00 0.00 177.93 178.22 2pgh h ALA 123 N -1.42 0.85 -0.73 5.26 0.00 -0.96 0.38 119.26 122.64 2pgh h ALA 123 Ca -0.10 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2pgh h ALA 123 Cb 0.72 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2pgh h ALA 123 CO 0.16 -0.36 0.29 0.77 0.00 0.00 0.00 179.25 180.11 2pgh h SER 124 N 0.21 0.99 1.03 0.00 0.02 -0.04 -2.37 113.55 113.40 2pgh h SER 124 Ca 0.39 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2pgh h SER 124 Cb 0.67 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2pgh h SER 124 CO -0.53 0.88 -0.05 0.18 -1.14 0.00 0.00 176.83 176.16 2pgh n LEU 125 N -4.29 0.19 -0.07 5.07 4.77 0.13 -2.76 117.00 120.04 2pgh n LEU 125 Ca 0.07 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 2pgh n LEU 125 Cb 0.18 -0.44 0.41 0.00 -2.33 0.00 0.00 43.42 41.23 2pgh n LEU 125 CO 0.40 -0.02 0.66 -0.67 -1.33 0.00 0.00 177.39 176.43 2pgh n ASP 126 N -1.64 0.51 -0.08 -1.43 2.03 -0.01 -3.26 116.55 112.66 2pgh n ASP 126 Ca 0.07 -0.31 -0.08 0.00 0.52 0.00 0.00 54.79 54.99 2pgh n ASP 126 Cb 0.36 0.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.66 2pgh n ASP 126 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pgh n LYS 127 N -1.23 1.16 0.08 -0.67 5.02 -1.11 -3.37 118.16 118.04 2pgh n LYS 127 Ca 0.09 -0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 2pgh n LYS 127 Cb 0.33 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2pgh n LYS 127 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2pgh h PHE 128 N 0.00 -0.19 -1.06 2.13 3.57 -1.60 0.18 116.94 119.97 2pgh h PHE 128 Ca -0.46 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.34 2pgh h PHE 128 Cb 2.03 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.79 2pgh h PHE 128 CO 0.00 -0.12 0.75 -0.07 -2.23 0.00 0.00 178.31 176.64 2pgh h LEU 129 N -0.23 0.07 0.20 0.59 3.38 -1.78 0.37 115.31 117.92 2pgh h LEU 129 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pgh h LEU 129 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pgh h LEU 129 CO 0.04 0.02 -0.10 0.00 0.09 0.00 0.00 178.44 178.48 2pgh h ALA 130 N 1.49 -0.27 0.00 1.53 0.00 -1.52 -2.15 119.26 118.34 2pgh h ALA 130 Ca 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2pgh h ALA 130 Cb 1.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2pgh h ALA 130 CO -0.05 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.12 2pgh n ASN 131 N -4.97 0.60 0.02 0.00 0.23 0.63 -0.89 115.26 110.88 2pgh n ASN 131 Ca -0.08 0.65 -0.18 0.00 -0.53 0.00 0.00 54.58 54.44 2pgh n ASN 131 Cb 0.25 -0.77 -0.12 0.00 -2.08 0.00 0.00 39.78 37.06 2pgh n ASN 131 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2pgh h VAL 132 N 0.00 1.45 0.64 3.53 2.07 -0.43 -2.93 116.25 120.58 2pgh h VAL 132 Ca 0.00 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.27 2pgh h VAL 132 Cb 0.36 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2pgh h VAL 132 CO 0.00 0.64 -0.39 0.28 0.02 0.00 0.00 177.57 178.12 2pgh h SER 133 N -0.17 -0.99 -0.73 0.57 0.02 -0.58 -1.01 113.55 110.66 2pgh h SER 133 Ca -0.10 0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.07 2pgh h SER 133 Cb 1.43 0.29 -0.11 0.00 0.14 0.00 0.00 62.40 64.15 2pgh h SER 133 CO 0.13 -0.61 0.18 0.74 -1.14 0.00 0.00 176.83 176.13 2pgh h THR 134 N -0.97 0.52 -0.37 -2.27 2.02 -1.15 0.26 112.91 110.96 2pgh h THR 134 Ca -0.08 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.07 2pgh h THR 134 Cb 0.79 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 2pgh h THR 134 CO 0.08 0.05 0.05 0.58 0.37 0.00 0.00 175.52 176.65 2pgh h VAL 135 N 0.27 0.78 0.00 3.16 2.07 -1.21 0.18 116.25 121.51 2pgh h VAL 135 Ca 0.41 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.88 2pgh h VAL 135 Cb 0.70 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2pgh h VAL 135 CO -0.51 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.29 2pgh n LEU 136 N -5.13 0.14 -3.05 2.57 4.77 0.82 -3.00 117.00 114.12 2pgh n LEU 136 Ca 0.02 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 2pgh n LEU 136 Cb 0.18 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2pgh n LEU 136 CO 0.23 0.03 -0.16 0.41 -1.33 0.00 0.00 177.39 176.57 2pgh n THR 137 N -0.39 0.08 0.00 -5.08 -1.04 0.63 -4.44 114.28 104.04 2pgh n THR 137 Ca 0.00 -4.04 0.00 0.00 -2.04 0.00 0.00 64.05 57.97 2pgh n THR 137 Cb 0.03 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 2pgh n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2pgh n SER 138 N 0.20 0.00 -0.14 8.00 3.41 -1.16 -4.82 113.62 119.10 2pgh n SER 138 Ca 0.20 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 2pgh n SER 138 Cb 0.70 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.86 2pgh n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pgh n LYS 139 N -2.50 -0.01 0.00 4.33 4.76 -1.26 -3.83 118.16 119.64 2pgh n LYS 139 Ca 0.00 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2pgh n LYS 139 Cb 0.00 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2pgh n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2pgh n TYR 140 N -3.47 0.00 -0.47 2.13 4.01 -0.96 -4.91 117.16 113.49 2pgh n TYR 140 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2pgh n TYR 140 Cb 0.49 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2pgh n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94