#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d17 s LEU 2 N 0.00 2.91 0.61 6.55 1.43 -1.26 -5.03 118.68 123.89 3d17 s LEU 2 Ca 0.00 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 3d17 s LEU 2 Cb 0.00 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3d17 s LEU 2 CO 0.00 -1.36 1.20 -0.94 0.23 0.00 0.00 176.35 175.48 3d17 s SER 3 N -4.37 5.07 0.50 2.29 1.04 -1.26 -4.74 113.70 112.22 3d17 s SER 3 Ca 0.58 2.35 0.30 0.00 0.48 0.00 0.00 55.95 59.66 3d17 s SER 3 Cb -0.11 -2.59 1.40 0.00 0.10 0.00 0.00 66.02 64.82 3d17 s SER 3 CO 0.51 -1.67 1.82 -0.65 0.98 0.00 0.00 173.24 174.22 3d17 h PRO 4 N 0.67 0.11 0.38 4.02 0.11 -2.00 0.34 132.00 135.64 3d17 h PRO 4 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3d17 h PRO 4 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3d17 h PRO 4 CO 0.54 0.08 -0.18 0.00 -0.21 0.00 0.00 178.00 178.23 3d17 h ALA 5 N 1.51 -0.51 -0.88 -0.75 0.00 -2.00 -2.29 119.26 114.33 3d17 h ALA 5 Ca 0.53 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.45 3d17 h ALA 5 Cb 1.88 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.76 3d17 h ALA 5 CO -0.09 -0.61 0.42 -0.44 0.00 0.00 0.00 179.25 178.53 3d17 h ASP 6 N -0.87 0.43 0.61 0.00 3.32 -0.73 0.01 116.42 119.20 3d17 h ASP 6 Ca -0.05 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3d17 h ASP 6 Cb 0.54 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.17 3d17 h ASP 6 CO 0.09 0.10 -0.29 0.11 -1.72 0.00 0.00 179.24 177.52 3d17 h LYS 7 N 0.50 -0.79 -0.65 3.56 1.57 -1.12 0.27 116.57 119.92 3d17 h LYS 7 Ca 0.52 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.49 3d17 h LYS 7 Cb 0.90 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 33.27 3d17 h LYS 7 CO -0.46 -0.50 -0.12 1.15 -0.57 0.00 0.00 179.45 178.96 3d17 h THR 8 N -0.89 0.38 -0.71 -0.16 2.02 -0.58 0.17 112.91 113.14 3d17 h THR 8 Ca -0.08 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3d17 h THR 8 Cb 0.65 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3d17 h THR 8 CO 0.14 0.00 0.29 0.78 0.37 0.00 0.00 175.52 177.10 3d17 h ASN 9 N 0.03 0.95 0.62 4.18 4.21 -0.88 0.42 115.58 125.11 3d17 h ASN 9 Ca 0.32 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.67 3d17 h ASN 9 Cb 0.51 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 37.47 3d17 h ASN 9 CO -0.64 0.84 -0.30 0.58 -1.29 0.00 0.00 177.43 176.62 3d17 h VAL 10 N 1.02 0.05 -0.37 2.81 2.07 0.14 -0.69 116.25 121.27 3d17 h VAL 10 Ca 0.24 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.48 3d17 h VAL 10 Cb 0.18 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3d17 h VAL 10 CO -0.02 0.01 0.30 0.11 0.02 0.00 0.00 177.57 177.99 3d17 h LYS 11 N -1.20 0.00 -0.03 1.57 1.57 -0.91 0.84 116.57 118.41 3d17 h LYS 11 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3d17 h LYS 11 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3d17 h LYS 11 CO 0.14 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 179.01 3d17 h ALA 12 N 1.75 0.04 -0.43 3.86 0.00 -0.78 0.11 119.26 123.82 3d17 h ALA 12 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d17 h ALA 12 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3d17 h ALA 12 CO -0.00 -0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.14 3d17 h ALA 13 N 0.63 0.56 -0.82 0.00 0.00 0.83 -0.92 119.26 119.54 3d17 h ALA 13 Ca 0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3d17 h ALA 13 Cb 0.40 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3d17 h ALA 13 CO 0.00 0.18 0.54 2.35 0.00 0.00 0.00 179.25 182.33 3d17 h TRP 14 N 0.55 0.96 0.45 0.00 7.01 0.59 -1.74 115.95 123.75 3d17 h TRP 14 Ca 0.14 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 3d17 h TRP 14 Cb 0.23 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 3d17 h TRP 14 CO 0.01 0.54 -0.50 0.78 -2.79 0.00 0.00 178.44 176.47 3d17 h GLY 15 N 0.97 -1.25 0.05 2.65 0.00 0.56 -0.72 103.07 105.33 3d17 h GLY 15 Ca 0.34 0.60 0.02 0.00 0.00 0.00 0.00 47.33 48.28 3d17 h GLY 15 CO -0.11 -0.36 -0.53 0.50 0.00 0.00 0.00 176.54 176.04 3d17 h LYS 16 N -0.96 -0.67 -0.79 4.80 1.79 -0.80 -2.46 116.57 117.48 3d17 h LYS 16 Ca -0.06 0.05 0.14 0.00 -2.18 0.00 0.00 60.65 58.60 3d17 h LYS 16 Cb 0.84 0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 31.50 3d17 h LYS 16 CO -0.09 -0.44 -0.31 0.28 -1.08 0.00 0.00 179.45 177.81 3d17 h VAL 17 N -0.69 0.12 0.00 0.50 2.07 -1.21 -3.42 116.25 113.62 3d17 h VAL 17 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3d17 h VAL 17 Cb 0.73 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3d17 h VAL 17 CO -0.34 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.86 3d17 n GLY 18 N -1.48 1.42 0.22 2.17 0.00 -0.29 -0.77 105.19 106.46 3d17 n GLY 18 Ca 0.09 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.78 3d17 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d17 h ALA 19 N -0.10 1.35 0.00 4.61 0.00 -1.87 -2.68 119.26 120.57 3d17 h ALA 19 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3d17 h ALA 19 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3d17 h ALA 19 CO 0.00 0.45 0.00 0.72 0.00 0.00 0.00 179.25 180.42 3d17 n HIS 20 N -4.17 0.79 -0.36 0.00 -0.00 0.05 -3.82 115.22 107.70 3d17 n HIS 20 Ca -0.01 0.29 0.03 0.00 -0.00 0.00 0.00 57.72 58.03 3d17 n HIS 20 Cb 0.35 -0.97 0.10 0.00 -0.00 0.00 0.00 29.99 29.47 3d17 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3d17 n ALA 21 N -1.76 0.11 -0.10 -1.41 0.00 -1.01 0.33 120.51 116.66 3d17 n ALA 21 Ca 0.03 1.04 -0.08 0.00 0.00 0.00 0.00 53.44 54.43 3d17 n ALA 21 Cb 0.26 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 3d17 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3d17 h GLY 22 N 0.00 0.47 0.22 0.00 0.00 -1.79 -0.84 103.07 101.12 3d17 h GLY 22 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3d17 h GLY 22 CO -0.99 0.14 -0.18 -2.09 0.00 0.00 0.00 176.54 173.41 3d17 h GLU 23 N 0.41 -0.38 -0.90 4.80 4.81 -0.35 -2.85 114.58 120.11 3d17 h GLU 23 Ca 0.13 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.64 3d17 h GLU 23 Cb -0.00 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 29.32 3d17 h GLU 23 CO -0.06 -0.25 0.29 1.88 -0.73 0.00 0.00 179.01 180.14 3d17 h TYR 24 N -0.39 0.45 -0.44 0.92 0.99 -0.47 0.17 116.97 118.20 3d17 h TYR 24 Ca -0.03 0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.82 3d17 h TYR 24 Cb 0.33 -0.06 -0.06 0.00 1.00 0.00 0.00 36.73 37.94 3d17 h TYR 24 CO -0.08 -0.20 0.07 0.78 -0.00 0.00 0.00 178.16 178.73 3d17 h GLY 25 N 0.24 0.50 1.75 3.88 0.00 -0.99 0.75 103.07 109.19 3d17 h GLY 25 Ca 0.58 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.83 3d17 h GLY 25 CO -0.64 -0.07 -0.21 0.00 0.00 0.00 0.00 176.54 175.62 3d17 h ALA 26 N 1.35 1.33 -0.34 3.60 0.00 -0.76 -2.26 119.26 122.18 3d17 h ALA 26 Ca 0.22 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3d17 h ALA 26 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3d17 h ALA 26 CO -0.30 0.46 -0.22 1.49 0.00 0.00 0.00 179.25 180.67 3d17 h GLU 27 N 0.28 0.75 -0.97 0.00 4.81 -0.64 -0.86 114.58 117.94 3d17 h GLU 27 Ca 0.05 -0.35 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3d17 h GLU 27 Cb 0.53 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 3d17 h GLU 27 CO 0.04 0.97 0.63 0.00 -0.73 0.00 0.00 179.01 179.91 3d17 h ALA 28 N 0.76 1.44 0.05 2.92 0.00 -0.62 0.50 119.26 124.31 3d17 h ALA 28 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3d17 h ALA 28 Cb 0.78 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3d17 h ALA 28 CO 0.06 0.41 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 3d17 h LEU 29 N 1.13 -0.06 -1.04 0.00 3.38 -1.09 -1.16 115.31 116.48 3d17 h LEU 29 Ca 0.42 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3d17 h LEU 29 Cb 0.18 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3d17 h LEU 29 CO -0.16 0.39 0.64 -0.08 0.09 0.00 0.00 178.44 179.31 3d17 h GLU 30 N -0.51 1.08 -0.79 1.13 4.81 -0.68 0.11 114.58 119.74 3d17 h GLU 30 Ca -0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3d17 h GLU 30 Cb 0.46 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3d17 h GLU 30 CO 0.01 0.72 0.44 0.00 -0.73 0.00 0.00 179.01 179.45 3d17 h ARG 31 N 1.12 1.08 0.20 1.92 3.08 0.12 -2.32 114.38 119.58 3d17 h ARG 31 Ca 0.44 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3d17 h ARG 31 Cb 0.24 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3d17 h ARG 31 CO -0.19 0.78 -0.09 1.98 -1.07 0.00 0.00 179.97 181.38 3d17 h MET 32 N 1.09 -0.26 -0.26 0.04 4.05 0.44 -1.59 114.93 118.45 3d17 h MET 32 Ca 0.28 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.79 3d17 h MET 32 Cb 0.00 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3d17 h MET 32 CO -0.05 0.10 0.22 0.74 0.23 0.00 0.00 176.91 178.15 3d17 h PHE 33 N -0.65 0.00 0.10 1.39 0.04 -1.08 -0.05 116.94 116.69 3d17 h PHE 33 Ca -0.03 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 3d17 h PHE 33 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3d17 h PHE 33 CO 0.04 0.00 -1.07 -0.07 -0.60 0.00 0.00 178.31 176.61 3d17 h LEU 34 N 0.00 0.35 -0.10 1.54 3.38 -1.32 -3.17 115.31 115.98 3d17 h LEU 34 Ca 0.12 -0.87 -0.08 0.00 0.09 0.00 0.00 57.88 57.14 3d17 h LEU 34 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3d17 h LEU 34 CO -0.00 1.48 -0.40 0.28 0.09 0.00 0.00 178.44 179.88 3d17 h SER 35 N -0.45 0.00 -2.22 -0.43 0.02 -0.99 -3.38 113.55 106.10 3d17 h SER 35 Ca -0.22 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.19 3d17 h SER 35 Cb 1.62 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.80 3d17 h SER 35 CO 0.06 0.40 -0.92 -0.36 -1.14 0.00 0.00 176.83 174.88 3d17 s PHE 36 N -3.06 0.75 0.58 3.45 0.40 -0.06 -5.02 117.98 115.03 3d17 s PHE 36 Ca 0.04 -2.07 0.29 0.00 -0.60 0.00 0.00 56.93 54.59 3d17 s PHE 36 Cb 0.07 -0.77 1.44 0.00 0.51 0.00 0.00 43.02 44.27 3d17 s PHE 36 CO 0.72 -0.88 1.84 -1.35 0.70 0.00 0.00 175.22 176.26 3d17 h PRO 37 N 5.68 0.00 0.00 0.24 0.11 -1.73 -2.09 132.00 134.21 3d17 h PRO 37 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3d17 h PRO 37 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3d17 h PRO 37 CO 0.32 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.90 3d17 h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -1.73 112.91 109.47 3d17 h THR 38 Ca 0.29 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 3d17 h THR 38 Cb 1.47 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3d17 h THR 38 CO -0.00 0.00 -0.14 0.35 -0.25 0.00 0.00 175.52 175.48 3d17 n THR 39 N -2.49 0.36 0.05 6.82 -2.24 -0.78 -3.41 114.28 112.59 3d17 n THR 39 Ca -0.01 -0.19 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 3d17 n THR 39 Cb 0.11 -0.43 0.13 0.00 -2.10 0.00 0.00 70.33 68.04 3d17 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3d17 h LYS 40 N 0.00 0.37 -0.67 -0.78 1.57 -1.52 -3.05 116.57 112.49 3d17 h LYS 40 Ca 0.00 -0.22 0.19 0.00 -1.87 0.00 0.00 60.65 58.76 3d17 h LYS 40 Cb 0.66 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3d17 h LYS 40 CO 0.00 0.79 0.67 1.15 -0.57 0.00 0.00 179.45 181.49 3d17 h THR 41 N 0.29 0.31 0.00 -0.16 2.02 -1.71 0.67 112.91 114.33 3d17 h THR 41 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3d17 h THR 41 Cb 0.99 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3d17 h THR 41 CO 0.09 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 3d17 n TYR 42 N -3.71 0.00 -3.25 3.16 4.01 -1.15 -3.97 117.16 112.25 3d17 n TYR 42 Ca 0.14 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.62 3d17 n TYR 42 Cb 0.91 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.60 3d17 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3d17 n PHE 43 N -1.27 2.24 0.00 -0.72 3.01 0.23 -5.00 117.46 115.96 3d17 n PHE 43 Ca 0.14 -3.93 0.00 0.00 1.01 0.00 0.00 57.45 54.67 3d17 n PHE 43 Cb 0.21 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 3d17 n PHE 43 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3d17 n PRO 44 N 0.75 0.00 -0.37 -1.08 -0.02 -1.26 -3.22 135.00 129.81 3d17 n PRO 44 Ca 0.27 0.36 0.28 0.00 -2.02 0.00 0.00 63.50 62.39 3d17 n PRO 44 Cb 0.47 -1.22 0.55 0.00 -0.02 0.00 0.00 33.50 33.28 3d17 n PRO 44 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3d17 h HIS 45 N 0.00 0.70 -2.59 6.00 3.86 -1.95 -3.41 115.15 117.75 3d17 h HIS 45 Ca 0.00 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.71 3d17 h HIS 45 Cb 0.00 -0.19 0.02 0.00 1.06 0.00 0.00 27.41 28.31 3d17 h HIS 45 CO -0.04 -0.11 1.07 -0.06 0.86 0.00 0.00 177.93 179.65 3d17 s PHE 46 N -5.48 2.16 -0.99 2.45 2.99 -1.20 -4.92 117.98 112.99 3d17 s PHE 46 Ca -0.09 0.10 -0.15 0.00 0.00 0.00 0.00 56.93 56.80 3d17 s PHE 46 Cb 0.28 -4.06 0.19 0.00 0.00 0.00 0.00 43.02 39.43 3d17 s PHE 46 CO 0.80 -4.40 1.09 0.16 -0.00 0.00 0.00 175.22 172.88 3d17 s ASP 47 N 2.83 6.88 -0.23 1.36 3.84 -1.26 -4.93 116.67 125.16 3d17 s ASP 47 Ca 0.78 -2.69 -0.02 0.00 -0.00 0.00 0.00 52.55 50.62 3d17 s ASP 47 Cb -0.42 -2.32 -0.03 0.00 -1.38 0.00 0.00 42.92 38.78 3d17 s ASP 47 CO 0.34 -0.73 1.32 0.18 -0.00 0.00 0.00 175.17 176.29 3d17 n LEU 48 N 4.99 1.57 -4.85 2.11 4.77 -1.26 -4.72 117.00 119.62 3d17 n LEU 48 Ca 0.24 -1.49 -0.37 0.00 -0.03 0.00 0.00 56.01 54.36 3d17 n LEU 48 Cb 0.45 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3d17 n LEU 48 CO 0.47 -0.40 -0.04 -0.94 -1.33 0.00 0.00 177.39 175.16 3d17 s SER 49 N 3.91 6.58 0.15 -1.43 1.04 -1.26 -4.96 113.70 117.73 3d17 s SER 49 Ca 0.14 0.69 -0.33 0.00 0.48 0.00 0.00 55.95 56.93 3d17 s SER 49 Cb 0.05 -2.16 -0.16 0.00 0.10 0.00 0.00 66.02 63.84 3d17 s SER 49 CO -0.01 0.35 1.06 1.57 0.98 0.00 0.00 173.24 177.19 3d17 n HIS 50 N 2.03 0.96 0.00 5.02 -0.00 -1.26 0.22 115.22 122.19 3d17 n HIS 50 Ca -0.17 0.78 0.00 0.00 0.46 0.00 0.00 57.72 58.79 3d17 n HIS 50 Cb 0.54 -2.21 0.00 0.00 -0.12 0.00 0.00 29.99 28.20 3d17 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3d17 n GLY 51 N 1.92 1.95 3.40 1.57 0.00 -1.26 -4.96 105.19 107.81 3d17 n GLY 51 Ca 0.16 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.62 3d17 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d17 n SER 52 N 0.00 1.51 -0.03 1.61 2.88 0.59 -4.78 113.62 115.41 3d17 n SER 52 Ca 0.00 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.27 3d17 n SER 52 Cb 0.00 -1.08 0.52 0.00 -0.75 0.00 0.00 64.21 62.90 3d17 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d17 h ALA 53 N 10.11 2.00 -0.65 -1.46 0.00 -1.89 0.52 119.26 127.89 3d17 h ALA 53 Ca -0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3d17 h ALA 53 Cb 1.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3d17 h ALA 53 CO 1.04 -0.10 0.31 1.96 0.00 0.00 0.00 179.25 182.46 3d17 h GLN 54 N 0.36 0.92 0.03 0.00 4.20 -1.90 1.11 115.11 119.83 3d17 h GLN 54 Ca 0.22 -0.12 -0.24 0.00 0.06 0.00 0.00 58.65 58.58 3d17 h GLN 54 Cb 0.42 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3d17 h GLN 54 CO -0.05 0.71 -1.20 0.28 -0.67 0.00 0.00 178.83 177.90 3d17 h VAL 55 N 0.92 1.50 0.01 -0.54 2.07 -1.45 -1.96 116.25 116.80 3d17 h VAL 55 Ca 0.23 -3.21 -0.08 0.00 0.82 0.00 0.00 66.70 64.46 3d17 h VAL 55 Cb 0.09 2.78 0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3d17 h VAL 55 CO -0.03 0.87 -0.31 0.50 0.02 0.00 0.00 177.57 178.63 3d17 h LYS 56 N 0.02 0.19 -0.09 1.57 3.11 -0.62 0.24 116.57 120.98 3d17 h LYS 56 Ca -0.09 -0.22 -0.00 0.00 -2.81 0.00 0.00 60.65 57.53 3d17 h LYS 56 Cb 1.86 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 33.15 3d17 h LYS 56 CO 0.13 0.97 0.05 0.78 -2.81 0.00 0.00 179.45 178.57 3d17 h GLY 57 N -0.50 0.13 1.43 5.01 0.00 0.12 -1.33 103.07 107.93 3d17 h GLY 57 Ca -0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.04 3d17 h GLY 57 CO 0.06 0.05 -1.23 0.84 0.00 0.00 0.00 176.54 176.26 3d17 h HIS 58 N 0.12 0.00 0.00 5.60 -0.00 -1.30 -3.04 115.15 116.52 3d17 h HIS 58 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3d17 h HIS 58 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 3d17 h HIS 58 CO 0.00 0.80 0.00 0.41 -0.00 0.00 0.00 177.93 179.14 3d17 n GLY 59 N 1.40 -0.57 0.13 5.26 0.00 0.82 -0.79 105.19 111.45 3d17 n GLY 59 Ca -0.07 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3d17 n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d17 n LYS 60 N -1.11 0.66 -0.27 1.61 4.81 -1.00 -3.08 118.16 119.79 3d17 n LYS 60 Ca 0.09 0.19 -0.01 0.00 -0.87 0.00 0.00 58.31 57.71 3d17 n LYS 60 Cb 0.07 -1.55 0.17 0.00 0.02 0.00 0.00 35.03 33.75 3d17 n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3d17 h LYS 61 N -0.12 1.11 -0.21 1.64 1.57 -0.89 -1.56 116.57 118.11 3d17 h LYS 61 Ca -0.57 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.01 3d17 h LYS 61 Cb 1.88 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 3d17 h LYS 61 CO -0.10 0.78 -0.29 -0.39 -0.57 0.00 0.00 179.45 178.88 3d17 h VAL 62 N 1.13 1.33 -0.44 0.50 -1.51 -1.63 -2.31 116.25 113.32 3d17 h VAL 62 Ca 0.29 -1.49 0.06 0.00 -1.23 0.00 0.00 66.70 64.34 3d17 h VAL 62 Cb -0.04 1.79 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 3d17 h VAL 62 CO -0.05 0.46 0.13 0.00 -1.23 0.00 0.00 177.57 176.87 3d17 h ALA 63 N 0.63 0.51 0.03 5.19 0.00 -1.58 0.19 119.26 124.23 3d17 h ALA 63 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d17 h ALA 63 Cb 0.86 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3d17 h ALA 63 CO 0.07 -0.27 -0.01 -0.44 0.00 0.00 0.00 179.25 178.60 3d17 h ASP 64 N 0.28 -0.03 -0.53 0.00 3.32 -1.31 -0.89 116.42 117.26 3d17 h ASP 64 Ca 0.21 -0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.28 3d17 h ASP 64 Cb 0.22 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.68 3d17 h ASP 64 CO -0.23 0.06 -0.19 0.00 -1.72 0.00 0.00 179.24 177.15 3d17 h ALA 65 N 0.85 0.22 -0.73 3.45 0.00 -0.76 0.18 119.26 122.47 3d17 h ALA 65 Ca -0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3d17 h ALA 65 Cb 0.11 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3d17 h ALA 65 CO 0.01 -0.51 0.44 -0.07 0.00 0.00 0.00 179.25 179.12 3d17 h LEU 66 N -0.07 0.87 -0.56 0.00 3.38 -0.32 0.02 115.31 118.63 3d17 h LEU 66 Ca 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3d17 h LEU 66 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3d17 h LEU 66 CO -0.58 0.67 0.29 0.74 0.09 0.00 0.00 178.44 179.65 3d17 h THR 67 N 1.01 1.20 -0.00 0.22 2.02 0.64 0.65 112.91 118.64 3d17 h THR 67 Ca 0.26 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3d17 h THR 67 Cb -0.05 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3d17 h THR 67 CO -0.05 0.22 -0.16 -1.13 0.37 0.00 0.00 175.52 174.77 3d17 h ASN 68 N 0.75 0.00 -0.25 4.18 -0.73 0.26 -0.81 115.58 118.98 3d17 h ASN 68 Ca 0.19 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 3d17 h ASN 68 Cb 0.08 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3d17 h ASN 68 CO -0.03 0.16 0.03 0.00 -0.37 0.00 0.00 177.43 177.22 3d17 h ALA 69 N 1.84 0.34 -0.58 1.57 0.00 0.93 -2.64 119.26 120.72 3d17 h ALA 69 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3d17 h ALA 69 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3d17 h ALA 69 CO 0.02 0.04 0.33 0.28 0.00 0.00 0.00 179.25 179.92 3d17 h VAL 70 N 0.23 1.18 -0.62 0.00 2.07 -0.07 -0.83 116.25 118.21 3d17 h VAL 70 Ca 0.08 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.28 3d17 h VAL 70 Cb 0.36 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 3d17 h VAL 70 CO 0.01 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.91 3d17 h ALA 71 N 1.16 0.73 -0.86 1.67 0.00 -1.04 -2.57 119.26 118.35 3d17 h ALA 71 Ca 0.21 0.14 -0.58 0.00 0.00 0.00 0.00 54.91 54.67 3d17 h ALA 71 Cb 0.02 0.20 -0.32 0.00 0.00 0.00 0.00 17.79 17.68 3d17 h ALA 71 CO -0.04 -0.32 0.21 0.72 0.00 0.00 0.00 179.25 179.83 3d17 n HIS 72 N -5.15 2.87 -0.19 0.00 8.25 -0.91 -4.69 115.22 115.40 3d17 n HIS 72 Ca 0.09 -2.57 0.16 0.00 -0.26 0.00 0.00 57.72 55.15 3d17 n HIS 72 Cb 0.34 -0.97 0.50 0.00 1.12 0.00 0.00 29.99 30.98 3d17 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3d17 h VAL 73 N 1.40 0.77 0.00 1.59 3.04 -0.74 0.76 116.25 123.07 3d17 h VAL 73 Ca 0.50 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 3d17 h VAL 73 Cb 1.25 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 3d17 h VAL 73 CO 1.18 0.08 0.00 -2.24 -1.01 0.00 0.00 177.57 175.58 3d17 h ASP 74 N 0.43 0.00 -0.77 3.17 3.04 -1.86 -3.33 116.42 117.10 3d17 h ASP 74 Ca 0.40 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.89 3d17 h ASP 74 Cb 0.92 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.00 3d17 h ASP 74 CO -0.14 0.00 -0.65 -0.67 -2.04 0.00 0.00 179.24 175.74 3d17 n ASP 75 N -2.74 -2.21 0.02 4.15 4.64 0.26 -4.93 116.55 115.73 3d17 n ASP 75 Ca -0.01 -3.04 -0.14 0.00 -1.38 0.00 0.00 54.79 50.22 3d17 n ASP 75 Cb 0.14 1.14 -0.04 0.00 -1.04 0.00 0.00 41.12 41.32 3d17 n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 3d17 h MET 76 N 4.31 0.59 -0.99 -0.67 2.86 -1.52 -3.14 114.93 116.37 3d17 h MET 76 Ca -0.03 -0.52 0.25 0.00 -2.06 0.00 0.00 59.70 57.33 3d17 h MET 76 Cb 1.01 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.71 3d17 h MET 76 CO 0.30 1.14 0.66 -1.35 1.06 0.00 0.00 176.91 178.72 3d17 h PRO 77 N 0.39 0.33 0.03 -0.22 0.11 -1.94 0.77 132.00 131.45 3d17 h PRO 77 Ca -0.06 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.83 3d17 h PRO 77 Cb 1.43 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 3d17 h PRO 77 CO 0.15 0.22 -1.08 -0.97 -0.21 0.00 0.00 178.00 176.11 3d17 h ASN 78 N 0.34 0.09 -0.96 -2.05 -1.24 -1.97 -1.93 115.58 107.86 3d17 h ASN 78 Ca 0.53 -0.68 0.15 0.00 0.71 0.00 0.00 56.30 57.00 3d17 h ASN 78 Cb 1.46 -0.03 -0.08 0.00 0.73 0.00 0.00 38.32 40.40 3d17 h ASN 78 CO -0.20 1.44 0.61 0.00 -1.29 0.00 0.00 177.43 177.98 3d17 h ALA 79 N -0.29 1.70 0.00 1.57 0.00 -1.38 -2.90 119.26 117.95 3d17 h ALA 79 Ca -0.28 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3d17 h ALA 79 Cb 1.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3d17 h ALA 79 CO -0.11 0.03 -1.97 1.28 0.00 0.00 0.00 179.25 178.49 3d17 n LEU 80 N -4.62 0.14 -0.14 0.00 4.32 0.22 -4.53 117.00 112.38 3d17 n LEU 80 Ca 0.19 0.06 0.13 0.00 -0.02 0.00 0.00 56.01 56.37 3d17 n LEU 80 Cb 0.45 0.12 0.25 0.00 -1.62 0.00 0.00 43.42 42.62 3d17 n LEU 80 CO 0.27 0.12 0.46 -0.24 -1.22 0.00 0.00 177.39 176.78 3d17 n SER 81 N -2.46 0.13 0.03 -1.43 2.88 -0.73 0.19 113.62 112.24 3d17 n SER 81 Ca -0.11 0.75 -0.11 0.00 -1.33 0.00 0.00 58.87 58.07 3d17 n SER 81 Cb 0.73 -0.35 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 3d17 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d17 h ALA 82 N 0.90 -0.40 -0.20 -1.46 0.00 -1.80 -2.00 119.26 114.31 3d17 h ALA 82 Ca 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3d17 h ALA 82 Cb 0.96 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3d17 h ALA 82 CO -0.35 -0.80 -0.11 -0.07 0.00 0.00 0.00 179.25 177.92 3d17 h LEU 83 N -0.42 0.30 0.03 0.00 -0.00 0.17 -3.18 115.31 112.20 3d17 h LEU 83 Ca 0.08 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3d17 h LEU 83 Cb 0.54 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 3d17 h LEU 83 CO -0.30 0.45 -0.03 0.28 -0.00 0.00 0.00 178.44 178.84 3d17 h SER 84 N 0.31 -0.08 -0.92 -0.43 0.02 -0.90 0.09 113.55 111.63 3d17 h SER 84 Ca 0.06 0.01 0.23 0.00 -0.84 0.00 0.00 61.79 61.25 3d17 h SER 84 Cb 0.38 0.03 -0.17 0.00 0.14 0.00 0.00 62.40 62.78 3d17 h SER 84 CO 0.02 -0.04 -0.04 0.44 -1.14 0.00 0.00 176.83 176.08 3d17 h ASP 85 N -0.06 -0.53 0.51 3.07 5.19 -1.52 0.53 116.42 123.62 3d17 h ASP 85 Ca -0.00 0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 3d17 h ASP 85 Cb 0.05 0.47 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3d17 h ASP 85 CO -0.01 -0.30 -0.26 0.25 -3.12 0.00 0.00 179.24 175.80 3d17 h LEU 86 N 0.03 -0.64 -0.35 1.55 6.46 -1.51 0.18 115.31 121.04 3d17 h LEU 86 Ca 0.52 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.30 3d17 h LEU 86 Cb 0.98 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 3d17 h LEU 86 CO -0.87 -0.43 0.20 0.45 -0.62 0.00 0.00 178.44 177.17 3d17 h HIS 87 N -0.71 0.46 0.37 1.25 3.86 -0.11 0.45 115.15 120.73 3d17 h HIS 87 Ca -0.07 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 3d17 h HIS 87 Cb 0.55 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3d17 h HIS 87 CO 0.07 0.34 -0.18 0.00 0.86 0.00 0.00 177.93 179.03 3d17 h ALA 88 N 1.08 -0.71 -3.00 2.45 0.00 -0.04 -0.82 119.26 118.21 3d17 h ALA 88 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d17 h ALA 88 Cb 0.02 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3d17 h ALA 88 CO -0.02 -0.68 0.00 0.72 0.00 0.00 0.00 179.25 179.27 3d17 n HIS 89 N -4.08 0.00 -0.27 0.00 8.25 0.61 -2.39 115.22 117.34 3d17 n HIS 89 Ca -0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.33 3d17 n HIS 89 Cb 0.20 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 3d17 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3d17 n LYS 90 N 0.00 -0.28 0.08 -0.41 3.00 -1.03 -1.99 118.16 117.54 3d17 n LYS 90 Ca 0.00 1.03 -0.09 0.00 -0.00 0.00 0.00 58.31 59.24 3d17 n LYS 90 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 35.03 33.50 3d17 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3d17 h LEU 91 N 0.00 0.28 -1.78 3.14 3.38 -0.21 -3.49 115.31 116.63 3d17 h LEU 91 Ca 0.10 -0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.53 3d17 h LEU 91 Cb 0.26 -0.09 0.17 0.00 0.09 0.00 0.00 40.66 41.09 3d17 h LEU 91 CO -0.59 1.05 -0.77 0.54 0.09 0.00 0.00 178.44 178.76 3d17 n ARG 92 N -3.65 -5.82 -2.57 1.13 1.74 -0.41 -4.96 116.66 102.13 3d17 n ARG 92 Ca -0.04 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 3d17 n ARG 92 Cb 0.83 -5.78 -0.02 0.00 -1.02 0.00 0.00 32.46 26.46 3d17 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d17 s VAL 93 N -3.36 4.53 0.03 1.55 1.01 -0.63 -4.98 120.40 118.55 3d17 s VAL 93 Ca 0.07 1.83 -0.34 0.00 0.00 0.00 0.00 61.98 63.54 3d17 s VAL 93 Cb -0.01 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.06 3d17 s VAL 93 CO 0.71 -0.07 1.72 -0.67 0.00 0.00 0.00 175.10 176.80 3d17 n ASP 94 N 5.69 3.22 -0.09 3.32 -0.08 -1.26 -4.86 116.55 122.49 3d17 n ASP 94 Ca 0.11 1.03 0.13 0.00 -1.51 0.00 0.00 54.79 54.55 3d17 n ASP 94 Cb 0.47 -1.39 0.52 0.00 2.34 0.00 0.00 41.12 43.05 3d17 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3d17 h PRO 95 N 7.53 0.37 -0.33 -0.67 0.11 -2.00 -0.41 132.00 136.61 3d17 h PRO 95 Ca -0.47 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3d17 h PRO 95 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3d17 h PRO 95 CO 0.92 0.24 0.23 -0.24 -0.21 0.00 0.00 178.00 178.94 3d17 h VAL 96 N 0.38 0.90 0.00 3.15 3.04 -2.02 -1.41 116.25 120.28 3d17 h VAL 96 Ca 0.30 -0.04 -0.05 0.00 -1.01 0.00 0.00 66.70 65.89 3d17 h VAL 96 Cb 0.65 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 3d17 h VAL 96 CO -0.08 0.02 -0.24 0.78 -1.01 0.00 0.00 177.57 177.04 3d17 h ASN 97 N 0.12 0.00 0.81 3.17 -0.26 -1.43 -1.56 115.58 116.44 3d17 h ASN 97 Ca 0.15 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 3d17 h ASN 97 Cb 0.45 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 3d17 h ASN 97 CO -0.02 0.24 -0.23 -0.26 -1.06 0.00 0.00 177.43 176.10 3d17 h PHE 98 N 0.00 0.00 0.12 1.19 0.04 -1.36 -1.92 116.94 115.01 3d17 h PHE 98 Ca -0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 3d17 h PHE 98 Cb 0.50 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.66 3d17 h PHE 98 CO 0.00 0.23 -1.22 0.87 -0.60 0.00 0.00 178.31 177.59 3d17 h LYS 99 N 0.00 0.36 -0.40 1.51 1.57 -1.35 -3.05 116.57 115.22 3d17 h LYS 99 Ca -0.00 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 3d17 h LYS 99 Cb 0.70 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3d17 h LYS 99 CO 0.03 1.24 0.19 -0.07 -0.57 0.00 0.00 179.45 180.27 3d17 h LEU 100 N 0.13 0.52 -0.05 2.94 3.38 -0.97 -2.14 115.31 119.12 3d17 h LEU 100 Ca -0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3d17 h LEU 100 Cb 1.92 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 3d17 h LEU 100 CO 0.21 0.50 0.02 0.25 0.09 0.00 0.00 178.44 179.51 3d17 h LEU 101 N 0.50 0.07 -0.50 1.67 5.85 -1.45 -2.01 115.31 119.43 3d17 h LEU 101 Ca 0.14 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3d17 h LEU 101 Cb 0.12 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 3d17 h LEU 101 CO -0.02 0.21 -0.30 0.28 -0.34 0.00 0.00 178.44 178.28 3d17 h SER 102 N -0.08 -1.02 -0.93 1.25 0.02 -1.41 0.57 113.55 111.96 3d17 h SER 102 Ca 0.02 0.20 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 3d17 h SER 102 Cb 0.17 0.51 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 3d17 h SER 102 CO -0.00 -0.29 0.59 -0.74 -1.14 0.00 0.00 176.83 175.25 3d17 h HIS 103 N -0.18 1.10 -0.10 3.45 -0.00 -1.31 -0.42 115.15 117.69 3d17 h HIS 103 Ca 0.21 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.54 3d17 h HIS 103 Cb 0.53 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 3d17 h HIS 103 CO -0.56 0.57 -0.25 0.00 -0.00 0.00 0.00 177.93 177.68 3d17 h LEU 105 N 0.16 0.54 0.09 0.00 3.38 0.14 -1.37 115.31 118.24 3d17 h LEU 105 Ca 0.03 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 3d17 h LEU 105 Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d17 h LEU 105 CO 0.04 0.82 -0.06 -0.07 0.09 0.00 0.00 178.44 179.26 3d17 h LEU 106 N 0.25 -0.14 -1.10 1.67 3.38 -0.79 0.66 115.31 119.24 3d17 h LEU 106 Ca 0.06 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.18 3d17 h LEU 106 Cb 0.61 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 3d17 h LEU 106 CO 0.03 -0.09 0.61 0.58 0.09 0.00 0.00 178.44 179.67 3d17 h VAL 107 N -0.14 0.85 -0.23 1.22 2.07 -1.02 0.19 116.25 119.18 3d17 h VAL 107 Ca -0.01 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3d17 h VAL 107 Cb 0.12 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3d17 h VAL 107 CO 0.01 0.16 0.13 0.74 0.02 0.00 0.00 177.57 178.62 3d17 h THR 108 N 0.85 1.11 -0.28 2.57 2.02 -0.02 -1.73 112.91 117.42 3d17 h THR 108 Ca 0.50 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 67.32 3d17 h THR 108 Cb 0.65 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3d17 h THR 108 CO -0.27 0.10 -0.19 -0.07 0.37 0.00 0.00 175.52 175.46 3d17 h LEU 109 N 0.27 0.50 -0.56 2.58 4.07 0.93 -2.74 115.31 120.36 3d17 h LEU 109 Ca 0.08 -0.15 -0.14 0.00 0.08 0.00 0.00 57.88 57.75 3d17 h LEU 109 Cb 0.05 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3d17 h LEU 109 CO -0.01 0.71 -0.31 0.00 -1.08 0.00 0.00 178.44 177.75 3d17 h ALA 110 N 1.34 0.74 0.00 1.53 0.00 -0.50 -0.18 119.26 122.19 3d17 h ALA 110 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3d17 h ALA 110 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d17 h ALA 110 CO 0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3d17 n ALA 111 N -2.52 1.97 0.04 0.00 0.00 -0.67 -3.48 120.51 115.85 3d17 n ALA 111 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3d17 n ALA 111 Cb 0.49 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 3d17 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d17 n HIS 112 N -1.62 0.00 -3.28 0.00 -0.00 -1.05 -4.79 115.22 104.48 3d17 n HIS 112 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.52 3d17 n HIS 112 Cb 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.17 3d17 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3d17 n LEU 113 N -0.62 0.67 -0.02 2.41 4.77 -0.10 -5.03 117.00 119.08 3d17 n LEU 113 Ca 0.00 -4.76 -0.02 0.00 -0.03 0.00 0.00 56.01 51.20 3d17 n LEU 113 Cb 0.02 0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3d17 n LEU 113 CO 0.01 2.02 0.50 -0.65 -1.33 0.00 0.00 177.39 177.95 3d17 h PRO 114 N 4.33 -0.05 -0.47 3.23 0.11 -1.82 -0.71 132.00 136.62 3d17 h PRO 114 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3d17 h PRO 114 Cb 0.85 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3d17 h PRO 114 CO 0.51 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 3d17 n ALA 115 N -2.74 2.47 -0.10 -0.75 0.00 -1.26 -3.74 120.51 114.40 3d17 n ALA 115 Ca -0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 3d17 n ALA 115 Cb 0.04 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 3d17 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d17 n GLU 116 N 0.81 0.67 -1.88 0.00 -0.58 -1.11 -4.72 120.64 113.84 3d17 n GLU 116 Ca 0.15 0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.61 3d17 n GLU 116 Cb 0.41 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 3d17 n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3d17 n PHE 117 N -3.15 3.55 -2.07 -0.32 7.35 -0.29 -4.83 117.46 117.69 3d17 n PHE 117 Ca -0.39 -2.71 -0.28 0.00 -0.76 0.00 0.00 57.45 53.30 3d17 n PHE 117 Cb 1.04 -2.47 0.14 0.00 0.35 0.00 0.00 39.48 38.55 3d17 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d17 s THR 118 N 4.09 2.06 0.18 -2.13 -4.23 -1.26 -4.79 115.64 109.56 3d17 s THR 118 Ca 0.51 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 3d17 s THR 118 Cb 0.11 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 71.12 3d17 s THR 118 CO -0.01 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.15 3d17 h PRO 119 N -1.24 0.99 -0.37 3.99 0.11 -1.98 0.47 132.00 133.97 3d17 h PRO 119 Ca -0.43 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 65.50 3d17 h PRO 119 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3d17 h PRO 119 CO 0.45 0.85 0.21 0.00 -0.21 0.00 0.00 178.00 179.30 3d17 h ALA 120 N 1.09 0.47 -0.07 -0.75 0.00 -1.97 -0.26 119.26 117.76 3d17 h ALA 120 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3d17 h ALA 120 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3d17 h ALA 120 CO -0.01 -0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.38 3d17 h VAL 121 N 0.42 1.25 -0.89 0.00 2.07 -1.83 -0.77 116.25 116.49 3d17 h VAL 121 Ca 0.15 -0.76 0.19 0.00 0.82 0.00 0.00 66.70 67.11 3d17 h VAL 121 Cb 0.03 1.63 -0.11 0.00 -1.52 0.00 0.00 31.29 31.31 3d17 h VAL 121 CO -0.08 0.21 0.42 -0.74 0.02 0.00 0.00 177.57 177.40 3d17 h HIS 122 N -0.16 0.72 -0.22 1.57 6.17 -0.69 0.25 115.15 122.79 3d17 h HIS 122 Ca 0.02 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 61.00 3d17 h HIS 122 Cb 0.33 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.08 3d17 h HIS 122 CO 0.03 0.05 -0.40 0.00 0.71 0.00 0.00 177.93 178.32 3d17 h ALA 123 N 1.65 0.34 -0.07 5.26 0.00 -0.72 -0.88 119.26 124.84 3d17 h ALA 123 Ca 0.53 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3d17 h ALA 123 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3d17 h ALA 123 CO -0.46 0.44 -0.20 0.77 0.00 0.00 0.00 179.25 179.80 3d17 h SER 124 N 0.35 0.11 0.02 0.00 0.02 0.38 -1.17 113.55 113.25 3d17 h SER 124 Ca 0.01 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3d17 h SER 124 Cb 1.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3d17 h SER 124 CO 0.09 0.32 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.86 3d17 h LEU 125 N 0.11 0.12 -1.84 5.07 3.38 -0.51 -1.09 115.31 120.56 3d17 h LEU 125 Ca 0.02 -0.87 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 3d17 h LEU 125 Cb 0.42 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3d17 h LEU 125 CO 0.03 0.98 -0.08 -0.78 0.09 0.00 0.00 178.44 178.69 3d17 h ASP 126 N -0.72 0.00 0.81 -0.43 1.82 -1.11 0.13 116.42 116.91 3d17 h ASP 126 Ca -0.03 -0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.42 3d17 h ASP 126 Cb 1.02 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.01 3d17 h ASP 126 CO 0.03 0.08 -0.91 0.50 -1.61 0.00 0.00 179.24 177.34 3d17 h LYS 127 N 0.00 0.06 0.13 0.28 3.64 -1.23 -2.37 116.57 117.08 3d17 h LYS 127 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3d17 h LYS 127 Cb 0.14 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3d17 h LYS 127 CO 0.01 0.92 -0.06 0.35 -2.27 0.00 0.00 179.45 178.40 3d17 h PHE 128 N 0.03 -0.16 0.00 1.91 3.57 0.01 -2.90 116.94 119.41 3d17 h PHE 128 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3d17 h PHE 128 Cb 1.58 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.37 3d17 h PHE 128 CO 0.01 0.32 0.00 -0.07 -2.23 0.00 0.00 178.31 176.34 3d17 h LEU 129 N -0.84 0.00 0.10 0.59 3.38 -0.88 -1.53 115.31 116.14 3d17 h LEU 129 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3d17 h LEU 129 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3d17 h LEU 129 CO 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.51 3d17 h ALA 130 N 2.04 -0.14 -0.92 1.53 0.00 -1.39 -0.93 119.26 119.45 3d17 h ALA 130 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.81 3d17 h ALA 130 Cb 0.15 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 3d17 h ALA 130 CO 0.00 -0.28 0.52 0.77 0.00 0.00 0.00 179.25 180.27 3d17 h SER 131 N -0.74 0.68 0.10 0.00 0.02 -1.10 0.40 113.55 112.91 3d17 h SER 131 Ca -0.01 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3d17 h SER 131 Cb 0.56 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3d17 h SER 131 CO 0.02 0.29 -0.05 0.58 -1.14 0.00 0.00 176.83 176.53 3d17 h VAL 132 N 0.73 0.89 -0.39 2.27 2.07 -1.28 -1.02 116.25 119.52 3d17 h VAL 132 Ca 0.50 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.93 3d17 h VAL 132 Cb 0.70 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3d17 h VAL 132 CO -0.35 0.00 -0.14 0.77 0.02 0.00 0.00 177.57 177.87 3d17 h SER 133 N -0.14 0.69 -0.96 0.57 4.64 0.31 -1.70 113.55 116.96 3d17 h SER 133 Ca -0.01 -0.21 0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3d17 h SER 133 Cb 0.11 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 61.93 3d17 h SER 133 CO 0.02 0.85 0.61 0.74 -0.87 0.00 0.00 176.83 178.18 3d17 h THR 134 N 0.63 0.84 -0.04 2.95 2.02 0.21 -2.18 112.91 117.34 3d17 h THR 134 Ca 0.10 -0.29 -0.20 0.00 0.77 0.00 0.00 66.41 66.80 3d17 h THR 134 Cb 0.60 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3d17 h THR 134 CO 0.04 0.15 -0.77 0.58 0.37 0.00 0.00 175.52 175.90 3d17 h VAL 135 N 0.83 1.34 0.00 3.16 2.07 -0.72 -2.90 116.25 120.03 3d17 h VAL 135 Ca 0.50 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 3d17 h VAL 135 Cb 0.67 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3d17 h VAL 135 CO -0.26 0.63 -0.02 -0.07 0.02 0.00 0.00 177.57 177.86 3d17 h LEU 136 N 0.20 0.00 -1.67 2.57 3.38 -0.72 -2.33 115.31 116.74 3d17 h LEU 136 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3d17 h LEU 136 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3d17 h LEU 136 CO 0.15 0.02 -0.06 0.35 0.09 0.00 0.00 178.44 178.99 3d17 n THR 137 N -3.15 0.00 -0.01 0.22 -2.24 -0.92 -4.15 114.28 104.03 3d17 n THR 137 Ca -0.01 -0.47 0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3d17 n THR 137 Cb 0.24 1.40 0.72 0.00 -2.10 0.00 0.00 70.33 70.59 3d17 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d17 h SER 138 N 3.78 0.00 0.19 3.42 4.64 -1.20 -0.67 113.55 123.72 3d17 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d17 h SER 138 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3d17 h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3d17 n LYS 139 N -4.16 0.55 -0.21 4.77 4.76 -1.26 -1.56 118.16 121.04 3d17 n LYS 139 Ca 0.11 0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.67 3d17 n LYS 139 Cb 0.69 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.62 3d17 n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3d17 n TYR 140 N -1.13 0.54 -0.46 2.13 4.02 -0.26 -4.83 117.16 117.17 3d17 n TYR 140 Ca 0.14 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 3d17 n TYR 140 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3d17 n TYR 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39