#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6hbw s LEU 2 N 0.00 4.29 0.89 1.34 1.43 -1.26 -5.00 118.68 120.37 6hbw s LEU 2 Ca 0.00 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 6hbw s LEU 2 Cb 0.00 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.81 6hbw s LEU 2 CO 0.00 -0.78 1.21 -0.94 0.23 0.00 0.00 176.35 176.07 6hbw s SER 3 N 2.29 3.71 0.17 2.29 1.04 -1.26 -4.86 113.70 117.08 6hbw s SER 3 Ca 0.64 0.65 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 6hbw s SER 3 Cb -0.30 -1.01 0.05 0.00 0.10 0.00 0.00 66.02 64.87 6hbw s SER 3 CO 0.24 -2.39 1.82 -0.65 0.98 0.00 0.00 173.24 173.25 6hbw h PRO 4 N -1.40 0.61 -0.68 4.02 0.11 -2.00 -1.93 132.00 130.73 6hbw h PRO 4 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 6hbw h PRO 4 Cb 1.30 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 6hbw h PRO 4 CO 0.55 0.40 0.33 0.00 -0.21 0.00 0.00 178.00 179.07 6hbw h ALA 5 N 1.18 1.30 -0.19 -0.75 0.00 -1.98 -0.72 119.26 118.10 6hbw h ALA 5 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 6hbw h ALA 5 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 6hbw h ALA 5 CO -0.05 0.55 0.08 -0.44 0.00 0.00 0.00 179.25 179.39 6hbw h ASP 6 N 0.96 0.12 -0.64 0.00 3.32 -1.76 0.41 116.42 118.83 6hbw h ASP 6 Ca 0.24 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 6hbw h ASP 6 Cb 0.09 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 6hbw h ASP 6 CO -0.03 0.10 0.16 0.11 -1.72 0.00 0.00 179.24 177.86 6hbw h LYS 7 N 0.18 1.04 -0.52 3.56 1.57 -1.07 0.14 116.57 121.47 6hbw h LYS 7 Ca 0.08 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 6hbw h LYS 7 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 6hbw h LYS 7 CO -0.06 0.92 0.11 1.15 -0.57 0.00 0.00 179.45 181.00 6hbw h THR 8 N 0.99 1.25 -0.45 -0.16 2.02 -0.56 -1.71 112.91 114.28 6hbw h THR 8 Ca 0.21 -0.90 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 6hbw h THR 8 Cb 0.34 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 6hbw h THR 8 CO 0.00 0.32 -0.05 0.78 0.37 0.00 0.00 175.52 176.94 6hbw h ASN 9 N 0.74 0.83 0.23 4.18 2.35 0.19 -2.03 115.58 122.07 6hbw h ASN 9 Ca 0.16 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 6hbw h ASN 9 Cb 0.36 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.51 6hbw h ASN 9 CO 0.01 0.97 -0.11 0.58 -1.65 0.00 0.00 177.43 177.22 6hbw h VAL 10 N 0.68 0.84 -0.69 2.81 2.07 -0.67 -1.70 116.25 119.58 6hbw h VAL 10 Ca 0.12 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.28 6hbw h VAL 10 Cb 0.57 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 6hbw h VAL 10 CO 0.03 0.09 0.40 0.11 0.02 0.00 0.00 177.57 178.23 6hbw h LYS 11 N -0.52 0.73 -0.35 1.57 1.57 -1.35 0.41 116.57 118.63 6hbw h LYS 11 Ca -0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 6hbw h LYS 11 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 6hbw h LYS 11 CO 0.05 0.48 0.18 0.00 -0.57 0.00 0.00 179.45 179.59 6hbw h ALA 12 N 1.34 0.45 -0.10 3.86 0.00 -1.31 0.13 119.26 123.62 6hbw h ALA 12 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 6hbw h ALA 12 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 6hbw h ALA 12 CO -0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.00 6hbw h ALA 13 N 1.03 0.15 0.00 0.00 0.00 -0.94 -2.72 119.26 116.78 6hbw h ALA 13 Ca 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 6hbw h ALA 13 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 6hbw h ALA 13 CO -0.02 -0.04 -0.28 2.35 0.00 0.00 0.00 179.25 181.26 6hbw h TRP 14 N -0.16 0.00 -0.47 0.00 2.91 -0.93 -1.87 115.95 115.44 6hbw h TRP 14 Ca 0.02 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.93 6hbw h TRP 14 Cb 0.57 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 6hbw h TRP 14 CO 0.08 0.28 -0.16 0.78 -1.03 0.00 0.00 178.44 178.39 6hbw h GLY 15 N 1.06 0.98 1.02 2.65 0.00 -0.90 -2.37 103.07 105.51 6hbw h GLY 15 Ca -0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 6hbw h GLY 15 CO 0.04 0.73 0.36 0.50 0.00 0.00 0.00 176.54 178.17 6hbw h LYS 16 N 0.80 1.08 -0.18 4.80 6.56 -1.04 -1.67 116.57 126.92 6hbw h LYS 16 Ca 0.12 -0.16 0.05 0.00 -1.06 0.00 0.00 60.65 59.60 6hbw h LYS 16 Cb 0.69 -0.19 -0.07 0.00 -0.57 0.00 0.00 32.23 32.09 6hbw h LYS 16 CO 0.05 0.84 -0.30 0.28 -2.06 0.00 0.00 179.45 178.26 6hbw h VAL 17 N 1.05 0.31 0.00 0.50 2.07 -1.08 -3.45 116.25 115.65 6hbw h VAL 17 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 6hbw h VAL 17 Cb 0.12 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 6hbw h VAL 17 CO -0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.17 6hbw n GLY 18 N -1.40 3.54 0.00 2.17 0.00 -0.63 -2.03 105.19 106.84 6hbw n GLY 18 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.07 6hbw n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6hbw n ALA 19 N 11.33 1.74 0.94 4.61 0.00 -1.26 -2.25 120.51 135.62 6hbw n ALA 19 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 6hbw n ALA 19 Cb 0.00 -1.20 0.23 0.00 0.00 0.00 0.00 19.45 18.48 6hbw n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 6hbw n HIS 20 N -1.28 0.07 -0.34 0.00 8.25 -0.86 -4.53 115.22 116.52 6hbw n HIS 20 Ca 0.06 0.02 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 6hbw n HIS 20 Cb 0.10 -0.29 0.02 0.00 1.12 0.00 0.00 29.99 30.94 6hbw n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 6hbw h ALA 21 N 2.93 0.07 -0.75 -1.41 0.00 -1.61 -0.42 119.26 118.07 6hbw h ALA 21 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.20 6hbw h ALA 21 Cb 0.53 0.98 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 6hbw h ALA 21 CO 0.00 -0.66 0.45 0.78 0.00 0.00 0.00 179.25 179.83 6hbw h GLY 22 N -0.04 1.11 1.22 0.00 0.00 -1.83 0.18 103.07 103.70 6hbw h GLY 22 Ca 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 6hbw h GLY 22 CO -0.92 0.24 0.29 -2.09 0.00 0.00 0.00 176.54 174.06 6hbw h GLU 23 N 0.85 1.00 -0.15 4.80 4.81 -1.49 -2.31 114.58 122.10 6hbw h GLU 23 Ca 0.32 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 6hbw h GLU 23 Cb 0.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 6hbw h GLU 23 CO -0.16 0.81 -0.49 1.88 -0.73 0.00 0.00 179.01 180.32 6hbw h TYR 24 N 0.99 0.49 -0.41 0.92 -1.99 -0.03 -2.17 116.97 114.76 6hbw h TYR 24 Ca 0.23 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 6hbw h TYR 24 Cb 0.17 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 6hbw h TYR 24 CO 0.01 0.81 0.24 0.78 -0.00 0.00 0.00 178.16 180.01 6hbw h GLY 25 N 1.21 0.61 1.07 3.88 0.00 -0.18 0.14 103.07 109.80 6hbw h GLY 25 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 6hbw h GLY 25 CO 0.09 0.26 0.23 0.00 0.00 0.00 0.00 176.54 177.12 6hbw h ALA 26 N 1.10 0.99 -0.50 3.60 0.00 -1.33 -0.68 119.26 122.43 6hbw h ALA 26 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 6hbw h ALA 26 Cb 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 6hbw h ALA 26 CO -0.03 0.67 0.04 1.49 0.00 0.00 0.00 179.25 181.43 6hbw h GLU 27 N 1.12 0.86 -0.69 0.00 4.81 -1.05 -0.54 114.58 119.09 6hbw h GLU 27 Ca 0.24 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 6hbw h GLU 27 Cb 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 6hbw h GLU 27 CO -0.01 0.87 0.35 0.00 -0.73 0.00 0.00 179.01 179.49 6hbw h ALA 28 N 0.96 0.89 -0.23 2.92 0.00 -0.39 -0.64 119.26 122.76 6hbw h ALA 28 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 6hbw h ALA 28 Cb 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 6hbw h ALA 28 CO 0.02 0.43 0.09 -0.07 0.00 0.00 0.00 179.25 179.72 6hbw h LEU 29 N 0.95 0.32 -0.47 0.00 3.38 -0.92 -1.41 115.31 117.17 6hbw h LEU 29 Ca 0.24 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.05 6hbw h LEU 29 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 6hbw h LEU 29 CO -0.03 0.40 0.31 -0.08 0.09 0.00 0.00 178.44 179.13 6hbw h GLU 30 N 0.22 0.61 -0.80 1.13 4.81 -0.85 0.30 114.58 119.99 6hbw h GLU 30 Ca 0.08 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 6hbw h GLU 30 Cb 0.18 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 6hbw h GLU 30 CO -0.01 0.40 0.52 0.00 -0.73 0.00 0.00 179.01 179.19 6hbw h ARG 31 N 0.63 0.99 -0.20 1.92 3.08 -1.03 -1.91 114.38 117.85 6hbw h ARG 31 Ca 0.17 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 6hbw h ARG 31 Cb -0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 6hbw h ARG 31 CO -0.04 0.65 -0.04 1.98 -1.07 0.00 0.00 179.97 181.45 6hbw h MET 32 N 1.02 0.37 -0.97 0.04 4.05 -0.49 0.13 114.93 119.08 6hbw h MET 32 Ca 0.32 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 6hbw h MET 32 Cb -0.01 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 6hbw h MET 32 CO -0.11 0.62 0.64 0.74 0.23 0.00 0.00 176.91 179.04 6hbw h PHE 33 N 0.10 1.21 -0.02 1.39 0.04 -0.82 0.24 116.94 119.08 6hbw h PHE 33 Ca 0.05 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 6hbw h PHE 33 Cb 0.47 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 38.22 6hbw h PHE 33 CO 0.05 0.75 -0.18 -0.07 -0.60 0.00 0.00 178.31 178.25 6hbw h LEU 34 N 1.29 0.19 -0.41 1.54 4.07 -1.27 -3.02 115.31 117.71 6hbw h LEU 34 Ca 0.37 -0.71 -0.12 0.00 0.08 0.00 0.00 57.88 57.49 6hbw h LEU 34 Cb -0.10 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 6hbw h LEU 34 CO -0.09 0.88 -0.58 0.28 -1.08 0.00 0.00 178.44 177.85 6hbw h SER 35 N -0.47 0.00 -2.55 -0.43 0.02 -0.93 -3.38 113.55 105.80 6hbw h SER 35 Ca -0.02 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.34 6hbw h SER 35 Cb 0.89 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.04 6hbw h SER 35 CO 0.04 0.58 -0.89 -0.36 -1.14 0.00 0.00 176.83 175.06 6hbw s PHE 36 N -3.20 1.52 0.55 3.45 0.08 0.82 -5.01 117.98 116.19 6hbw s PHE 36 Ca 0.01 -2.45 0.25 0.00 0.12 0.00 0.00 56.93 54.86 6hbw s PHE 36 Cb 0.10 -1.26 1.44 0.00 -0.57 0.00 0.00 43.02 42.73 6hbw s PHE 36 CO 0.74 -0.78 2.04 -1.35 -0.10 0.00 0.00 175.22 175.78 6hbw h PRO 37 N 5.75 0.00 -0.09 0.24 0.11 -1.69 -2.35 132.00 133.96 6hbw h PRO 37 Ca 0.22 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.36 6hbw h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 6hbw h PRO 37 CO 0.43 0.00 0.08 1.79 -0.21 0.00 0.00 178.00 180.09 6hbw h THR 38 N 0.00 0.72 0.00 -1.15 1.35 -1.91 0.90 112.91 112.82 6hbw h THR 38 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 6hbw h THR 38 Cb 0.71 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 6hbw h THR 38 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 6hbw n THR 39 N -4.16 0.91 0.61 6.82 -2.24 -0.88 -1.97 114.28 113.37 6hbw n THR 39 Ca -0.01 0.40 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 6hbw n THR 39 Cb 0.19 -1.36 0.45 0.00 -2.10 0.00 0.00 70.33 67.52 6hbw n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 6hbw n LYS 40 N -2.23 0.12 0.29 -0.78 5.02 0.31 -2.82 118.16 118.07 6hbw n LYS 40 Ca 0.01 0.23 0.16 0.00 -2.02 0.00 0.00 58.31 56.69 6hbw n LYS 40 Cb 0.16 -1.68 0.89 0.00 -0.02 0.00 0.00 35.03 34.38 6hbw n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 6hbw h THR 41 N 0.00 0.41 0.00 -0.18 1.35 -1.57 -1.71 112.91 111.21 6hbw h THR 41 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 6hbw h THR 41 Cb 0.46 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 6hbw h THR 41 CO 0.00 0.04 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.76 6hbw n TYR 42 N -3.58 0.03 -2.46 4.73 4.01 -1.13 -4.20 117.16 114.57 6hbw n TYR 42 Ca -0.02 0.01 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 6hbw n TYR 42 Cb 0.15 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 38.84 6hbw n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 6hbw n PHE 43 N -1.53 2.80 0.62 -0.72 3.01 -0.64 -4.83 117.46 116.17 6hbw n PHE 43 Ca 0.06 -2.88 0.08 0.00 1.01 0.00 0.00 57.45 55.72 6hbw n PHE 43 Cb 0.34 -0.18 0.36 0.00 -0.01 0.00 0.00 39.48 39.98 6hbw n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 6hbw n PRO 44 N -0.44 0.09 0.00 -1.08 -0.04 -1.24 -1.61 135.00 130.68 6hbw n PRO 44 Ca 0.33 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 6hbw n PRO 44 Cb 0.74 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 6hbw n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 6hbw n HIS 45 N -1.42 0.00 -3.88 0.54 1.44 -1.26 -4.96 115.22 105.68 6hbw n HIS 45 Ca 0.05 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.42 6hbw n HIS 45 Cb 0.16 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.22 6hbw n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 6hbw s PHE 46 N -2.05 3.56 -0.31 -1.40 0.40 -0.63 -5.05 117.98 112.50 6hbw s PHE 46 Ca 0.24 0.41 -0.25 0.00 -0.60 0.00 0.00 56.93 56.73 6hbw s PHE 46 Cb 0.18 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.85 6hbw s PHE 46 CO 0.37 0.66 0.90 0.34 0.70 0.00 0.00 175.22 178.18 6hbw s ASP 47 N -1.77 6.76 -0.08 1.36 2.15 -1.26 -4.90 116.67 118.92 6hbw s ASP 47 Ca 0.25 0.79 0.20 0.00 0.43 0.00 0.00 52.55 54.22 6hbw s ASP 47 Cb -0.13 -2.46 0.71 0.00 -0.30 0.00 0.00 42.92 40.75 6hbw s ASP 47 CO 0.16 -0.72 1.61 0.18 -0.17 0.00 0.00 175.17 176.23 6hbw n LEU 48 N 6.46 4.58 -4.77 -1.34 4.77 -1.26 -4.43 117.00 121.01 6hbw n LEU 48 Ca 0.07 -2.32 -0.32 0.00 -0.03 0.00 0.00 56.01 53.41 6hbw n LEU 48 Cb 0.48 -0.56 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 6hbw n LEU 48 CO 0.54 0.87 0.72 -0.94 -1.33 0.00 0.00 177.39 177.24 6hbw s SER 49 N -0.93 4.79 -0.01 -1.43 1.04 -1.26 -4.90 113.70 110.98 6hbw s SER 49 Ca 0.51 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.53 6hbw s SER 49 Cb 0.31 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.81 6hbw s SER 49 CO 0.28 -1.84 2.00 1.57 0.98 0.00 0.00 173.24 176.22 6hbw n HIS 50 N -3.04 2.42 -0.39 5.02 -0.00 -1.26 -1.87 115.22 116.09 6hbw n HIS 50 Ca 0.10 -0.30 0.00 0.00 0.46 0.00 0.00 57.72 57.98 6hbw n HIS 50 Cb 0.53 -2.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.62 6hbw n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 6hbw n GLY 51 N 4.71 0.80 3.77 1.57 0.00 -1.26 -5.05 105.19 109.71 6hbw n GLY 51 Ca 0.22 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 6hbw n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 6hbw s SER 52 N -2.06 6.20 0.28 1.61 1.04 -0.78 -4.91 113.70 115.09 6hbw s SER 52 Ca 0.00 2.55 -0.01 0.00 0.48 0.00 0.00 55.95 58.97 6hbw s SER 52 Cb 0.00 -2.63 0.47 0.00 0.10 0.00 0.00 66.02 63.96 6hbw s SER 52 CO 0.00 -0.91 1.88 0.00 0.98 0.00 0.00 173.24 175.19 6hbw h ALA 53 N 2.42 1.46 -0.58 5.32 0.00 -1.92 -1.83 119.26 124.13 6hbw h ALA 53 Ca -0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 6hbw h ALA 53 Cb 1.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 6hbw h ALA 53 CO 0.61 0.38 0.04 1.96 0.00 0.00 0.00 179.25 182.24 6hbw h GLN 54 N 1.10 1.00 -0.04 0.00 4.20 -1.91 -0.78 115.11 118.68 6hbw h GLN 54 Ca 0.43 -0.30 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 6hbw h GLN 54 Cb 0.24 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 6hbw h GLN 54 CO -0.18 0.98 -0.66 0.28 -0.67 0.00 0.00 178.83 178.58 6hbw h VAL 55 N 0.90 1.42 -0.14 -0.54 2.07 -1.72 -1.20 116.25 117.04 6hbw h VAL 55 Ca 0.17 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 6hbw h VAL 55 Cb 0.50 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 6hbw h VAL 55 CO 0.02 0.63 0.02 0.50 0.02 0.00 0.00 177.57 178.76 6hbw h LYS 56 N 0.13 0.23 -0.35 1.57 3.64 -1.16 -0.66 116.57 119.97 6hbw h LYS 56 Ca -0.01 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 6hbw h LYS 56 Cb 1.18 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 6hbw h LYS 56 CO 0.10 0.42 0.04 0.78 -2.27 0.00 0.00 179.45 178.52 6hbw h GLY 57 N -0.00 0.64 1.97 5.01 0.00 -1.11 -2.81 103.07 106.78 6hbw h GLY 57 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 6hbw h GLY 57 CO 0.00 0.41 -0.36 0.84 0.00 0.00 0.00 176.54 177.44 6hbw h HIS 58 N 0.43 0.04 -0.44 5.60 -0.00 -1.17 -2.57 115.15 117.04 6hbw h HIS 58 Ca 0.10 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 6hbw h HIS 58 Cb 0.39 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 6hbw h HIS 58 CO 0.03 0.39 -0.05 0.78 -0.00 0.00 0.00 177.93 179.07 6hbw h GLY 59 N 1.10 0.80 0.90 5.26 0.00 -0.94 -1.30 103.07 108.89 6hbw h GLY 59 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 6hbw h GLY 59 CO 0.05 0.51 0.00 1.70 0.00 0.00 0.00 176.54 178.80 6hbw h LYS 60 N 0.69 0.58 0.16 4.80 1.63 -1.22 -1.92 116.57 121.29 6hbw h LYS 60 Ca 0.13 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 6hbw h LYS 60 Cb 0.50 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 6hbw h LYS 60 CO 0.03 0.70 -0.11 0.87 -3.45 0.00 0.00 179.45 177.49 6hbw h LYS 61 N 0.38 -0.26 -0.77 1.90 1.79 -1.20 -0.44 116.57 117.96 6hbw h LYS 61 Ca 0.09 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 6hbw h LYS 61 Cb 0.44 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 6hbw h LYS 61 CO 0.02 -0.18 0.49 0.28 -1.08 0.00 0.00 179.45 178.98 6hbw h VAL 62 N -0.27 1.11 -0.28 0.50 2.07 -1.22 -0.97 116.25 117.18 6hbw h VAL 62 Ca -0.01 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 6hbw h VAL 62 Cb 0.24 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 6hbw h VAL 62 CO 0.00 0.17 0.14 0.00 0.02 0.00 0.00 177.57 177.90 6hbw h ALA 63 N 1.33 0.36 -0.77 1.67 0.00 -1.04 -1.75 119.26 119.05 6hbw h ALA 63 Ca 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 6hbw h ALA 63 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 6hbw h ALA 63 CO -0.12 -0.08 0.36 -0.44 0.00 0.00 0.00 179.25 178.97 6hbw h ASP 64 N 0.32 1.02 0.27 0.00 3.32 -0.82 0.22 116.42 120.76 6hbw h ASP 64 Ca 0.10 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 6hbw h ASP 64 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 6hbw h ASP 64 CO -0.01 0.88 -0.23 0.00 -1.72 0.00 0.00 179.24 178.15 6hbw h ALA 65 N 1.18 1.54 0.02 3.45 0.00 -0.98 0.21 119.26 124.69 6hbw h ALA 65 Ca 0.26 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 6hbw h ALA 65 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 6hbw h ALA 65 CO -0.03 0.29 -0.98 -0.07 0.00 0.00 0.00 179.25 178.46 6hbw h LEU 66 N 0.00 0.46 -0.88 0.00 3.38 -0.31 -1.67 115.31 116.28 6hbw h LEU 66 Ca -0.00 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 6hbw h LEU 66 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 6hbw h LEU 66 CO 0.03 1.20 -0.04 0.74 0.09 0.00 0.00 178.44 180.46 6hbw h THR 67 N 0.18 1.25 -0.62 0.22 2.02 0.30 -0.09 112.91 116.17 6hbw h THR 67 Ca -0.08 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 6hbw h THR 67 Cb 1.62 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 6hbw h THR 67 CO 0.16 0.37 0.17 -1.13 0.37 0.00 0.00 175.52 175.47 6hbw h ASN 68 N 0.72 0.92 -0.58 4.18 -1.24 -0.46 -1.65 115.58 117.48 6hbw h ASN 68 Ca 0.13 -0.22 -0.09 0.00 0.71 0.00 0.00 56.30 56.84 6hbw h ASN 68 Cb 0.50 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 6hbw h ASN 68 CO 0.03 0.90 0.03 0.00 -1.29 0.00 0.00 177.43 177.09 6hbw h ALA 69 N 1.06 0.77 -0.63 1.57 0.00 -0.90 -2.37 119.26 118.76 6hbw h ALA 69 Ca 0.20 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 6hbw h ALA 69 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 6hbw h ALA 69 CO -0.00 0.58 0.20 0.28 0.00 0.00 0.00 179.25 180.31 6hbw h VAL 70 N 0.89 1.24 0.00 0.00 2.07 -0.79 -1.10 116.25 118.57 6hbw h VAL 70 Ca 0.17 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 6hbw h VAL 70 Cb 0.51 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 6hbw h VAL 70 CO 0.02 0.31 -0.17 0.00 0.02 0.00 0.00 177.57 177.76 6hbw h ALA 71 N 1.29 1.07 -1.15 1.67 0.00 -1.07 -3.15 119.26 117.93 6hbw h ALA 71 Ca 0.21 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.48 6hbw h ALA 71 Cb 0.26 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.61 6hbw h ALA 71 CO -0.01 0.21 -0.92 0.72 0.00 0.00 0.00 179.25 179.25 6hbw n HIS 72 N -3.39 2.43 0.30 0.00 8.25 -0.88 -4.89 115.22 117.03 6hbw n HIS 72 Ca -0.00 -2.80 0.18 0.00 -0.26 0.00 0.00 57.72 54.84 6hbw n HIS 72 Cb 0.37 -0.22 0.96 0.00 1.12 0.00 0.00 29.99 32.21 6hbw n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 6hbw h VAL 73 N 2.94 0.26 -0.00 1.59 3.04 -1.18 -1.02 116.25 121.88 6hbw h VAL 73 Ca 0.15 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 6hbw h VAL 73 Cb 1.12 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 6hbw h VAL 73 CO 0.67 0.03 -0.26 0.47 -1.01 0.00 0.00 177.57 177.47 6hbw n ASP 74 N -3.38 0.27 -2.88 3.17 8.00 -1.26 -4.44 116.55 116.02 6hbw n ASP 74 Ca -0.02 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 6hbw n ASP 74 Cb 0.15 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 6hbw n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 6hbw n ASP 75 N -1.48 -1.76 -0.11 -2.24 -0.08 -0.42 -5.00 116.55 105.46 6hbw n ASP 75 Ca 0.06 -3.26 -0.10 0.00 -1.51 0.00 0.00 54.79 49.98 6hbw n ASP 75 Cb 0.34 1.11 0.03 0.00 2.34 0.00 0.00 41.12 44.94 6hbw n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 6hbw h MET 76 N 3.64 0.87 -0.82 -0.67 2.86 -1.70 -2.49 114.93 116.62 6hbw h MET 76 Ca -0.07 -0.40 0.14 0.00 -2.06 0.00 0.00 59.70 57.32 6hbw h MET 76 Cb 1.01 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.56 6hbw h MET 76 CO 0.32 1.04 0.40 -1.35 1.06 0.00 0.00 176.91 178.38 6hbw h PRO 77 N 0.74 0.56 0.06 -0.22 0.11 -1.94 0.22 132.00 131.53 6hbw h PRO 77 Ca 0.08 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.92 6hbw h PRO 77 Cb 0.85 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.85 6hbw h PRO 77 CO 0.07 0.37 -0.97 -0.97 -0.21 0.00 0.00 178.00 176.29 6hbw h ASN 78 N 0.58 0.75 -0.20 -2.05 -1.24 -1.95 -2.46 115.58 108.99 6hbw h ASN 78 Ca 0.44 -0.80 -0.04 0.00 0.71 0.00 0.00 56.30 56.61 6hbw h ASN 78 Cb 0.63 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 6hbw h ASN 78 CO -0.37 1.46 0.00 0.00 -1.29 0.00 0.00 177.43 177.24 6hbw h ALA 79 N 0.30 1.43 -0.52 1.57 0.00 -0.96 -2.76 119.26 118.32 6hbw h ALA 79 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 6hbw h ALA 79 Cb 1.67 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.32 6hbw h ALA 79 CO 0.19 0.40 0.00 1.28 0.00 0.00 0.00 179.25 181.12 6hbw n LEU 80 N -4.30 3.94 -0.25 0.00 4.32 0.74 -4.72 117.00 116.73 6hbw n LEU 80 Ca 0.01 -2.30 0.03 0.00 -0.02 0.00 0.00 56.01 53.73 6hbw n LEU 80 Cb 0.23 -0.45 0.12 0.00 -1.62 0.00 0.00 43.42 41.69 6hbw n LEU 80 CO 0.38 0.81 0.77 -1.28 -1.22 0.00 0.00 177.39 176.85 6hbw h SER 81 N 3.20 -0.50 0.02 -1.43 0.87 -1.13 0.15 113.55 114.73 6hbw h SER 81 Ca 0.00 0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 6hbw h SER 81 Cb 1.14 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 6hbw h SER 81 CO 0.12 -0.20 -0.14 0.00 -0.53 0.00 0.00 176.83 176.07 6hbw h ALA 82 N 1.70 1.47 0.09 6.23 0.00 -1.84 -1.59 119.26 125.32 6hbw h ALA 82 Ca 0.37 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.79 6hbw h ALA 82 Cb 0.61 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.34 6hbw h ALA 82 CO -0.69 0.37 -1.11 1.25 0.00 0.00 0.00 179.25 179.08 6hbw h LEU 83 N 0.24 0.82 -1.03 0.00 5.85 -1.14 -1.71 115.31 118.34 6hbw h LEU 83 Ca 0.05 -0.82 -0.07 0.00 0.84 0.00 0.00 57.88 57.88 6hbw h LEU 83 Cb 0.40 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 6hbw h LEU 83 CO 0.02 1.54 -0.05 0.77 -0.34 0.00 0.00 178.44 180.39 6hbw h SER 84 N 0.19 0.61 -0.14 1.25 4.64 -0.99 -0.22 113.55 118.89 6hbw h SER 84 Ca -0.17 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 6hbw h SER 84 Cb 1.80 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 6hbw h SER 84 CO 0.21 0.71 0.07 0.44 -0.87 0.00 0.00 176.83 177.40 6hbw h ASP 85 N 0.59 0.17 0.47 4.97 5.19 -1.27 -1.35 116.42 125.20 6hbw h ASP 85 Ca 0.12 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 6hbw h ASP 85 Cb 0.45 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 6hbw h ASP 85 CO 0.02 0.21 -0.33 0.25 -3.12 0.00 0.00 179.24 176.27 6hbw h LEU 86 N 0.12 -0.86 -0.88 1.55 6.46 -0.67 0.56 115.31 121.59 6hbw h LEU 86 Ca 0.05 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 6hbw h LEU 86 Cb 0.07 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 6hbw h LEU 86 CO -0.01 -0.51 0.51 0.45 -0.62 0.00 0.00 178.44 178.27 6hbw h HIS 87 N -0.79 1.18 -0.00 1.25 3.86 -1.07 0.64 115.15 120.22 6hbw h HIS 87 Ca -0.05 -0.01 -0.23 0.00 -1.16 0.00 0.00 60.37 58.92 6hbw h HIS 87 Cb 0.66 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.75 6hbw h HIS 87 CO -0.13 0.80 -0.96 0.00 0.86 0.00 0.00 177.93 178.50 6hbw h ALA 88 N 1.28 0.33 0.00 2.45 0.00 -1.17 0.45 119.26 122.59 6hbw h ALA 88 Ca 0.31 -0.71 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 6hbw h ALA 88 Cb -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 6hbw h ALA 88 CO -0.06 0.80 -2.01 0.72 0.00 0.00 0.00 179.25 178.70 6hbw n HIS 89 N -3.76 0.22 0.01 0.00 8.25 0.18 -4.65 115.22 115.47 6hbw n HIS 89 Ca -0.07 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 6hbw n HIS 89 Cb 0.84 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 31.13 6hbw n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 6hbw n LYS 90 N -2.58 0.00 -0.18 -0.41 4.76 0.13 -4.86 118.16 115.02 6hbw n LYS 90 Ca -0.16 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.27 6hbw n LYS 90 Cb 0.85 -0.07 0.09 0.00 -1.84 0.00 0.00 35.03 34.06 6hbw n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 6hbw h LEU 91 N 0.00 0.13 -1.21 -0.35 3.38 -1.45 -3.46 115.31 112.34 6hbw h LEU 91 Ca 0.00 0.08 -0.47 0.00 0.09 0.00 0.00 57.88 57.58 6hbw h LEU 91 Cb 0.00 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 6hbw h LEU 91 CO 0.00 0.09 -0.79 0.54 0.09 0.00 0.00 178.44 178.37 6hbw n ARG 92 N -5.05 -5.03 -2.10 1.13 1.74 0.16 -4.93 116.66 102.59 6hbw n ARG 92 Ca 0.07 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 6hbw n ARG 92 Cb 0.26 -5.32 -0.03 0.00 -1.02 0.00 0.00 32.46 26.35 6hbw n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 6hbw s VAL 93 N -3.42 3.32 0.27 1.55 1.01 -1.26 -4.93 120.40 116.94 6hbw s VAL 93 Ca 0.50 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 6hbw s VAL 93 Cb -0.25 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 6hbw s VAL 93 CO 0.84 0.02 1.62 -0.62 0.00 0.00 0.00 175.10 176.96 6hbw s ASP 94 N 1.76 6.39 0.56 3.32 -1.08 -1.26 -4.84 116.67 121.52 6hbw s ASP 94 Ca 0.67 2.92 0.47 0.00 -0.52 0.00 0.00 52.55 56.09 6hbw s ASP 94 Cb -0.36 -2.63 1.67 0.00 -1.46 0.00 0.00 42.92 40.14 6hbw s ASP 94 CO 0.29 -0.92 1.59 -0.65 0.52 0.00 0.00 175.17 176.01 6hbw h PRO 95 N 5.32 0.00 -0.13 4.34 0.11 -1.99 -1.96 132.00 137.69 6hbw h PRO 95 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 6hbw h PRO 95 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 6hbw h PRO 95 CO 0.83 0.00 -0.18 0.28 -0.21 0.00 0.00 178.00 178.72 6hbw h VAL 96 N 0.00 1.20 0.00 3.15 2.07 -2.03 -2.82 116.25 117.81 6hbw h VAL 96 Ca 0.86 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 6hbw h VAL 96 Cb 3.52 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 34.59 6hbw h VAL 96 CO -0.01 0.28 -0.24 0.78 0.02 0.00 0.00 177.57 178.40 6hbw h ASN 97 N 0.20 0.00 -0.94 0.57 2.35 -1.72 -2.84 115.58 113.20 6hbw h ASN 97 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 6hbw h ASN 97 Cb 0.45 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 6hbw h ASN 97 CO 0.03 0.24 0.62 -0.26 -1.65 0.00 0.00 177.43 176.41 6hbw h PHE 98 N 0.00 1.18 -0.03 1.19 -1.00 -1.68 -0.53 116.94 116.07 6hbw h PHE 98 Ca -0.00 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 6hbw h PHE 98 Cb 0.59 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 6hbw h PHE 98 CO 0.00 0.74 -0.26 0.87 -1.61 0.00 0.00 178.31 178.05 6hbw h LYS 99 N 1.27 0.05 -0.06 1.51 1.57 -1.66 0.17 116.57 119.43 6hbw h LYS 99 Ca 0.35 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 6hbw h LYS 99 Cb -0.13 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 6hbw h LYS 99 CO -0.08 0.31 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.99 6hbw h LEU 100 N 0.05 0.15 -0.77 2.94 3.38 -1.19 -1.94 115.31 117.93 6hbw h LEU 100 Ca 0.01 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 6hbw h LEU 100 Cb 0.48 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 6hbw h LEU 100 CO 0.03 0.58 -0.09 0.25 0.09 0.00 0.00 178.44 179.30 6hbw h LEU 101 N -0.28 0.83 -0.75 1.67 5.85 -0.95 -2.63 115.31 119.05 6hbw h LEU 101 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.49 6hbw h LEU 101 Cb 0.53 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 6hbw h LEU 101 CO 0.01 0.94 0.48 0.28 -0.34 0.00 0.00 178.44 179.82 6hbw h SER 102 N 0.76 0.88 -0.83 1.25 0.02 -0.95 0.05 113.55 114.74 6hbw h SER 102 Ca 0.13 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 6hbw h SER 102 Cb 0.59 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 6hbw h SER 102 CO 0.04 0.65 0.53 -0.74 -1.14 0.00 0.00 176.83 176.18 6hbw h HIS 103 N 1.02 1.00 0.00 3.45 -0.00 -1.12 -0.07 115.15 119.44 6hbw h HIS 103 Ca 0.27 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.60 6hbw h HIS 103 Cb -0.09 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 26.98 6hbw h HIS 103 CO -0.02 0.58 -0.33 0.00 -0.00 0.00 0.00 177.93 178.16 6hbw h LEU 105 N 0.00 -0.03 -0.64 0.00 -0.00 -0.59 0.54 115.31 114.59 6hbw h LEU 105 Ca -0.00 -0.48 0.10 0.00 -0.00 0.00 0.00 57.88 57.50 6hbw h LEU 105 Cb 1.25 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.84 6hbw h LEU 105 CO 0.04 0.47 0.24 0.25 -0.00 0.00 0.00 178.44 179.44 6hbw h LEU 106 N -0.55 0.22 -0.75 1.67 5.85 -1.00 0.14 115.31 120.89 6hbw h LEU 106 Ca -0.00 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 6hbw h LEU 106 Cb 0.51 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 6hbw h LEU 106 CO 0.01 0.12 0.05 0.58 -0.34 0.00 0.00 178.44 178.86 6hbw h VAL 107 N 0.41 1.26 -0.74 1.05 2.07 -1.11 -1.37 116.25 117.83 6hbw h VAL 107 Ca 0.33 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 6hbw h VAL 107 Cb 0.43 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 6hbw h VAL 107 CO -0.33 0.39 0.21 0.74 0.02 0.00 0.00 177.57 178.60 6hbw h THR 108 N 0.93 1.26 -0.45 2.57 2.02 0.27 -1.36 112.91 118.15 6hbw h THR 108 Ca 0.18 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 6hbw h THR 108 Cb 0.47 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 6hbw h THR 108 CO 0.02 0.36 -0.08 -0.07 0.37 0.00 0.00 175.52 176.12 6hbw h LEU 109 N 1.10 0.86 -1.28 2.58 4.07 -0.77 -2.65 115.31 119.22 6hbw h LEU 109 Ca 0.24 -0.35 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 6hbw h LEU 109 Cb 0.33 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 6hbw h LEU 109 CO -0.00 1.01 0.40 0.00 -1.08 0.00 0.00 178.44 178.76 6hbw h ALA 110 N 0.88 1.46 0.00 1.53 0.00 -0.97 0.26 119.26 122.42 6hbw h ALA 110 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 6hbw h ALA 110 Cb 0.61 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 6hbw h ALA 110 CO 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 6hbw h ALA 111 N 1.53 1.01 -0.00 0.00 0.00 -0.96 -3.23 119.26 117.62 6hbw h ALA 111 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 6hbw h ALA 111 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 6hbw h ALA 111 CO -0.04 0.04 -0.25 0.72 0.00 0.00 0.00 179.25 179.72 6hbw n HIS 112 N -3.15 0.00 -3.44 0.00 -0.00 -0.61 -4.81 115.22 103.21 6hbw n HIS 112 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 6hbw n HIS 112 Cb 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.22 6hbw n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 6hbw n LEU 113 N -0.99 3.69 -0.24 2.41 4.77 0.83 -4.92 117.00 122.55 6hbw n LEU 113 Ca 0.01 -5.43 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 6hbw n LEU 113 Cb 0.10 -0.66 0.12 0.00 -2.33 0.00 0.00 43.42 40.65 6hbw n LEU 113 CO 0.11 2.04 1.07 -0.65 -1.33 0.00 0.00 177.39 178.63 6hbw h PRO 114 N 4.24 0.60 0.18 3.23 0.11 -1.85 -1.07 132.00 137.44 6hbw h PRO 114 Ca 0.20 -0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.92 6hbw h PRO 114 Cb 0.67 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.65 6hbw h PRO 114 CO 0.83 0.40 -1.74 0.00 -0.21 0.00 0.00 178.00 177.27 6hbw h ALA 115 N 1.40 0.16 -0.31 -0.75 0.00 -1.95 -3.39 119.26 114.42 6hbw h ALA 115 Ca 0.33 -1.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 6hbw h ALA 115 Cb 0.32 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 6hbw h ALA 115 CO -0.24 1.03 -0.08 0.93 0.00 0.00 0.00 179.25 180.89 6hbw h GLU 116 N 0.11 0.60 -4.22 0.00 3.07 -1.93 -3.39 114.58 108.83 6hbw h GLU 116 Ca -0.34 -0.23 -0.48 0.00 -0.50 0.00 0.00 59.36 57.81 6hbw h GLU 116 Cb 2.10 -0.03 0.05 0.00 -0.84 0.00 0.00 28.75 30.02 6hbw h GLU 116 CO 0.18 0.79 2.05 0.34 -1.40 0.00 0.00 179.01 180.97 6hbw n PHE 117 N -4.46 1.16 -2.13 4.33 7.35 -0.41 -4.78 117.46 118.51 6hbw n PHE 117 Ca -0.03 -1.45 -0.28 0.00 -0.76 0.00 0.00 57.45 54.94 6hbw n PHE 117 Cb 0.32 -1.38 0.05 0.00 0.35 0.00 0.00 39.48 38.83 6hbw n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 6hbw s THR 118 N 4.91 2.99 0.26 -2.13 -4.23 -1.26 -4.78 115.64 111.39 6hbw s THR 118 Ca 0.47 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 6hbw s THR 118 Cb 0.11 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.92 6hbw s THR 118 CO 0.10 -0.31 1.76 -0.65 -0.54 0.00 0.00 174.62 174.98 6hbw h PRO 119 N -0.55 0.60 -0.54 3.99 0.11 -1.99 0.32 132.00 133.94 6hbw h PRO 119 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 6hbw h PRO 119 Cb 1.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 6hbw h PRO 119 CO 0.62 0.39 -0.00 0.00 -0.21 0.00 0.00 178.00 178.80 6hbw h ALA 120 N 1.55 0.73 0.00 -0.75 0.00 -1.96 -0.84 119.26 117.99 6hbw h ALA 120 Ca 0.45 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 6hbw h ALA 120 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 6hbw h ALA 120 CO -0.36 0.55 -0.56 0.28 0.00 0.00 0.00 179.25 179.16 6hbw h VAL 121 N 0.83 1.32 0.12 0.00 2.07 -1.69 -1.28 116.25 117.63 6hbw h VAL 121 Ca 0.15 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 6hbw h VAL 121 Cb 0.54 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 6hbw h VAL 121 CO 0.03 0.55 -0.06 -0.74 0.02 0.00 0.00 177.57 177.37 6hbw h HIS 122 N 0.00 -0.15 -0.34 1.57 6.17 -0.01 -0.52 115.15 121.88 6hbw h HIS 122 Ca -0.01 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.08 6hbw h HIS 122 Cb 1.05 0.05 -0.02 0.00 2.52 0.00 0.00 27.41 31.01 6hbw h HIS 122 CO 0.00 0.05 0.20 0.00 0.71 0.00 0.00 177.93 178.88 6hbw h ALA 123 N 0.53 0.42 -0.51 5.26 0.00 -0.87 -1.64 119.26 122.44 6hbw h ALA 123 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 6hbw h ALA 123 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 6hbw h ALA 123 CO 0.03 -0.16 0.10 0.77 0.00 0.00 0.00 179.25 179.99 6hbw h SER 124 N 0.40 0.79 -0.54 0.00 0.02 -1.18 -1.45 113.55 111.59 6hbw h SER 124 Ca 0.13 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 6hbw h SER 124 Cb 0.00 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 6hbw h SER 124 CO -0.06 0.83 0.13 -0.07 -1.14 0.00 0.00 176.83 176.53 6hbw h LEU 125 N 0.71 0.86 -0.05 5.07 3.38 -0.95 0.10 115.31 124.43 6hbw h LEU 125 Ca 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 6hbw h LEU 125 Cb 0.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 6hbw h LEU 125 CO 0.01 0.84 -0.01 -0.78 0.09 0.00 0.00 178.44 178.59 6hbw h ASP 126 N 0.88 0.09 -0.41 -0.43 3.58 -1.14 -1.57 116.42 117.42 6hbw h ASP 126 Ca 0.19 -0.37 0.07 0.00 0.42 0.00 0.00 57.03 57.34 6hbw h ASP 126 Cb 0.33 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 6hbw h ASP 126 CO 0.00 0.43 0.06 0.11 -2.88 0.00 0.00 179.24 176.97 6hbw h LYS 127 N -0.25 0.18 0.19 0.28 1.57 -1.02 -1.06 116.57 116.45 6hbw h LYS 127 Ca 0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 6hbw h LYS 127 Cb 0.39 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 6hbw h LYS 127 CO 0.00 0.12 -0.35 0.35 -0.57 0.00 0.00 179.45 179.00 6hbw h PHE 128 N 0.19 -0.97 -0.35 -1.35 3.57 -0.71 -0.80 116.94 116.51 6hbw h PHE 128 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 6hbw h PHE 128 Cb 0.25 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 6hbw h PHE 128 CO -0.22 -0.47 0.18 -0.07 -2.23 0.00 0.00 178.31 175.50 6hbw h LEU 129 N -0.63 0.42 -0.59 0.59 3.38 -1.07 0.17 115.31 117.59 6hbw h LEU 129 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 6hbw h LEU 129 Cb 0.63 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 6hbw h LEU 129 CO -0.17 0.36 0.12 0.00 0.09 0.00 0.00 178.44 178.84 6hbw h ALA 130 N 1.72 0.78 -0.40 1.53 0.00 -0.60 -0.48 119.26 121.80 6hbw h ALA 130 Ca 0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 6hbw h ALA 130 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 6hbw h ALA 130 CO -0.02 0.51 -0.16 0.77 0.00 0.00 0.00 179.25 180.36 6hbw h SER 131 N 0.87 0.83 -0.77 0.00 0.02 -0.37 0.22 113.55 114.35 6hbw h SER 131 Ca 0.18 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 6hbw h SER 131 Cb 0.39 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 6hbw h SER 131 CO 0.01 1.03 0.39 0.58 -1.14 0.00 0.00 176.83 177.70 6hbw h VAL 132 N 0.62 1.24 -0.17 2.27 2.07 -0.84 -1.04 116.25 120.41 6hbw h VAL 132 Ca 0.09 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 6hbw h VAL 132 Cb 0.70 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 6hbw h VAL 132 CO 0.05 0.29 0.07 0.28 0.02 0.00 0.00 177.57 178.28 6hbw h SER 133 N 1.11 0.23 -0.34 0.57 0.02 -0.53 -1.61 113.55 113.00 6hbw h SER 133 Ca 0.27 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 6hbw h SER 133 Cb 0.09 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 6hbw h SER 133 CO -0.04 0.32 -0.03 0.74 -1.14 0.00 0.00 176.83 176.69 6hbw h THR 134 N 0.12 0.72 -0.49 -2.27 2.02 -0.03 -2.14 112.91 110.84 6hbw h THR 134 Ca 0.06 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 6hbw h THR 134 Cb 0.17 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 6hbw h THR 134 CO -0.00 0.01 -0.10 -0.37 0.37 0.00 0.00 175.52 175.43 6hbw h VAL 135 N 0.06 1.27 0.00 3.16 -1.51 -1.08 0.11 116.25 118.26 6hbw h VAL 135 Ca 0.16 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 6hbw h VAL 135 Cb 0.23 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 6hbw h VAL 135 CO -0.30 0.42 0.00 -0.07 -1.23 0.00 0.00 177.57 176.40 6hbw h LEU 136 N 0.78 0.00 -1.42 4.19 3.38 -0.97 -1.53 115.31 119.73 6hbw h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 6hbw h LEU 136 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 6hbw h LEU 136 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 6hbw n THR 137 N -2.69 0.03 0.33 0.22 -2.24 -0.83 -4.46 114.28 104.64 6hbw n THR 137 Ca -0.01 -0.52 0.22 0.00 -2.27 0.00 0.00 64.05 61.48 6hbw n THR 137 Cb 0.14 1.18 1.19 0.00 -2.10 0.00 0.00 70.33 70.74 6hbw n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 6hbw h SER 138 N 1.90 0.00 -0.39 3.42 4.64 0.10 -2.37 113.55 120.86 6hbw h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 6hbw h SER 138 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 6hbw h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 6hbw n LYS 139 N -3.13 3.29 0.26 4.77 5.02 -1.26 -4.66 118.16 122.45 6hbw n LYS 139 Ca -0.03 -2.70 0.11 0.00 -2.02 0.00 0.00 58.31 53.67 6hbw n LYS 139 Cb 0.08 -1.77 0.68 0.00 -0.02 0.00 0.00 35.03 34.01 6hbw n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 6hbw h TYR 140 N 2.53 0.00 0.00 2.13 -1.99 -1.74 -3.46 116.97 114.44 6hbw h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 6hbw h TYR 140 Cb 1.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.07 6hbw h TYR 140 CO 0.55 0.13 0.00 2.89 -0.00 0.00 0.00 178.16 181.73