#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a01 s LEU 2 N 0.00 4.17 0.92 6.55 1.43 -1.26 -5.05 118.68 125.45 1a01 s LEU 2 Ca 0.00 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1a01 s LEU 2 Cb 0.00 -3.01 0.14 0.00 0.03 0.00 0.00 46.19 43.35 1a01 s LEU 2 CO 0.00 -0.99 1.09 -0.94 0.23 0.00 0.00 176.35 175.74 1a01 s SER 3 N 2.26 3.26 0.37 2.29 1.04 -1.26 -4.73 113.70 116.92 1a01 s SER 3 Ca 0.32 1.44 0.10 0.00 0.48 0.00 0.00 55.95 58.29 1a01 s SER 3 Cb -0.12 -2.12 0.86 0.00 0.10 0.00 0.00 66.02 64.75 1a01 s SER 3 CO 0.23 -2.77 1.90 -0.65 0.98 0.00 0.00 173.24 172.94 1a01 h PRO 4 N -1.64 0.62 -0.12 4.02 0.11 -1.99 0.45 132.00 133.45 1a01 h PRO 4 Ca -0.51 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.42 1a01 h PRO 4 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1a01 h PRO 4 CO 0.55 0.41 -0.55 0.00 -0.21 0.00 0.00 178.00 178.19 1a01 h ALA 5 N 1.61 0.82 -0.17 -0.75 0.00 -1.99 -1.61 119.26 117.18 1a01 h ALA 5 Ca 0.40 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1a01 h ALA 5 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1a01 h ALA 5 CO -0.16 0.69 0.08 -0.44 0.00 0.00 0.00 179.25 179.42 1a01 h ASP 6 N 0.28 0.22 -0.91 0.00 3.32 -1.36 -0.68 116.42 117.29 1a01 h ASP 6 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1a01 h ASP 6 Cb 1.06 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 1a01 h ASP 6 CO 0.09 0.28 0.60 0.11 -1.72 0.00 0.00 179.24 178.61 1a01 h LYS 7 N 0.14 1.20 -0.31 3.56 1.57 -0.91 -0.51 116.57 121.30 1a01 h LYS 7 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1a01 h LYS 7 Cb 0.12 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1a01 h LYS 7 CO -0.01 0.79 0.17 1.15 -0.57 0.00 0.00 179.45 180.99 1a01 h THR 8 N 1.23 1.13 -0.09 -0.16 2.02 -1.01 -1.94 112.91 114.10 1a01 h THR 8 Ca 0.33 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1a01 h THR 8 Cb -0.14 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1a01 h THR 8 CO -0.07 0.13 0.05 0.78 0.37 0.00 0.00 175.52 176.78 1a01 h ASN 9 N 0.39 0.11 -0.06 4.18 2.35 -0.73 -0.70 115.58 121.11 1a01 h ASN 9 Ca 0.11 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1a01 h ASN 9 Cb 0.06 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1a01 h ASN 9 CO -0.02 0.11 0.04 0.58 -1.65 0.00 0.00 177.43 176.49 1a01 h VAL 10 N 0.09 1.03 -0.70 2.81 2.07 -1.05 -0.74 116.25 119.75 1a01 h VAL 10 Ca 0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1a01 h VAL 10 Cb 0.03 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1a01 h VAL 10 CO -0.01 0.02 0.45 0.11 0.02 0.00 0.00 177.57 178.17 1a01 h LYS 11 N 0.07 0.93 0.36 1.57 1.57 -1.26 -0.02 116.57 119.80 1a01 h LYS 11 Ca 0.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1a01 h LYS 11 Cb 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1a01 h LYS 11 CO -0.00 0.64 -0.18 0.00 -0.57 0.00 0.00 179.45 179.34 1a01 h ALA 12 N 1.24 -0.49 -0.09 3.86 0.00 -0.88 -1.17 119.26 121.72 1a01 h ALA 12 Ca 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a01 h ALA 12 Cb -0.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1a01 h ALA 12 CO -0.05 -0.78 0.03 0.00 0.00 0.00 0.00 179.25 178.45 1a01 h ALA 13 N 0.15 0.10 -0.20 0.00 0.00 -0.96 -2.67 119.26 115.68 1a01 h ALA 13 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a01 h ALA 13 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1a01 h ALA 13 CO 0.08 -0.43 -0.06 2.35 0.00 0.00 0.00 179.25 181.20 1a01 h TRP 14 N 0.08 0.32 -0.30 0.00 2.91 -0.98 -2.42 115.95 115.56 1a01 h TRP 14 Ca 0.04 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.04 1a01 h TRP 14 Cb 0.02 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 1a01 h TRP 14 CO -0.10 0.38 0.18 0.78 -1.03 0.00 0.00 178.44 178.66 1a01 h GLY 15 N 0.70 0.42 1.90 2.65 0.00 -0.89 -2.09 103.07 105.75 1a01 h GLY 15 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1a01 h GLY 15 CO 0.01 0.13 -0.33 0.50 0.00 0.00 0.00 176.54 176.85 1a01 h LYS 16 N 0.38 0.12 -0.07 4.80 1.79 -1.17 -2.63 116.57 119.79 1a01 h LYS 16 Ca 0.11 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1a01 h LYS 16 Cb -0.02 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1a01 h LYS 16 CO -0.04 0.44 -0.04 0.28 -1.08 0.00 0.00 179.45 179.02 1a01 h VAL 17 N 0.10 0.88 0.00 0.50 2.07 -0.91 -3.45 116.25 115.45 1a01 h VAL 17 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1a01 h VAL 17 Cb 0.65 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1a01 h VAL 17 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1a01 n GLY 18 N -1.15 3.55 0.27 2.17 0.00 -0.96 -1.90 105.19 107.16 1a01 n GLY 18 Ca -0.05 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.13 1a01 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a01 h ALA 19 N -0.80 1.00 0.00 4.61 0.00 -1.87 -2.97 119.26 119.22 1a01 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a01 h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a01 h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1a01 n HIS 20 N -2.91 0.00 -0.28 0.00 -0.00 -0.80 -4.26 115.22 106.97 1a01 n HIS 20 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1a01 n HIS 20 Cb 0.21 -0.16 0.22 0.00 -0.00 0.00 0.00 29.99 30.26 1a01 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a01 h ALA 21 N 3.58 1.02 -0.41 -1.41 0.00 -1.68 0.70 119.26 121.07 1a01 h ALA 21 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1a01 h ALA 21 Cb 0.15 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a01 h ALA 21 CO 0.00 -0.45 -0.02 0.78 0.00 0.00 0.00 179.25 179.56 1a01 h GLY 22 N 0.14 0.79 1.16 0.00 0.00 -1.85 -0.47 103.07 102.83 1a01 h GLY 22 Ca 0.49 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1a01 h GLY 22 CO -0.69 0.55 0.24 -2.09 0.00 0.00 0.00 176.54 174.55 1a01 h GLU 23 N 0.56 1.06 -0.14 4.80 4.81 -1.47 -1.89 114.58 122.31 1a01 h GLU 23 Ca 0.11 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 1a01 h GLU 23 Cb 0.51 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1a01 h GLU 23 CO 0.02 0.89 -0.47 1.88 -0.73 0.00 0.00 179.01 180.61 1a01 h TYR 24 N 1.03 0.43 -0.37 0.92 0.05 -0.71 -1.77 116.97 116.55 1a01 h TYR 24 Ca 0.23 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 1a01 h TYR 24 Cb 0.26 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1a01 h TYR 24 CO 0.02 0.76 0.05 0.78 -1.05 0.00 0.00 178.16 178.72 1a01 h GLY 25 N 1.22 0.67 1.00 3.88 0.00 -0.78 -0.67 103.07 108.39 1a01 h GLY 25 Ca 0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1a01 h GLY 25 CO 0.08 0.42 0.16 0.00 0.00 0.00 0.00 176.54 177.21 1a01 h ALA 26 N 0.90 0.75 -0.51 3.60 0.00 -1.23 -1.96 119.26 120.81 1a01 h ALA 26 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1a01 h ALA 26 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1a01 h ALA 26 CO 0.01 0.43 0.23 1.49 0.00 0.00 0.00 179.25 181.41 1a01 h GLU 27 N 0.81 0.75 -0.59 0.00 4.81 -1.15 -1.41 114.58 117.81 1a01 h GLU 27 Ca 0.18 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1a01 h GLU 27 Cb 0.31 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 1a01 h GLU 27 CO -0.00 0.65 0.32 0.00 -0.73 0.00 0.00 179.01 179.24 1a01 h ALA 28 N 1.07 0.77 -0.39 2.92 0.00 -0.89 0.46 119.26 123.21 1a01 h ALA 28 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1a01 h ALA 28 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1a01 h ALA 28 CO -0.02 -0.02 0.14 -0.07 0.00 0.00 0.00 179.25 179.29 1a01 h LEU 29 N 0.60 0.55 -0.94 0.00 3.38 -1.07 -1.23 115.31 116.59 1a01 h LEU 29 Ca 0.26 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1a01 h LEU 29 Cb 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1a01 h LEU 29 CO -0.17 0.59 0.62 -0.08 0.09 0.00 0.00 178.44 179.49 1a01 h GLU 30 N 0.48 1.19 -0.53 1.13 4.81 -0.75 0.23 114.58 121.14 1a01 h GLU 30 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1a01 h GLU 30 Cb 0.22 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1a01 h GLU 30 CO -0.01 0.79 0.25 0.00 -0.73 0.00 0.00 179.01 179.31 1a01 h ARG 31 N 1.23 0.76 -0.16 1.92 3.08 -0.64 -2.11 114.38 118.46 1a01 h ARG 31 Ca 0.36 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1a01 h ARG 31 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1a01 h ARG 31 CO -0.10 0.63 0.08 1.98 -1.07 0.00 0.00 179.97 181.49 1a01 h MET 32 N 0.71 0.23 -0.45 0.04 4.05 -0.65 0.94 114.93 119.80 1a01 h MET 32 Ca 0.18 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1a01 h MET 32 Cb 0.12 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1a01 h MET 32 CO -0.02 0.25 0.06 0.74 0.23 0.00 0.00 176.91 178.16 1a01 h PHE 33 N 0.15 0.72 0.01 1.39 0.04 -0.84 0.89 116.94 119.30 1a01 h PHE 33 Ca 0.06 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 60.59 1a01 h PHE 33 Cb 0.09 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.05 1a01 h PHE 33 CO -0.03 0.65 -0.64 -0.07 -0.60 0.00 0.00 178.31 177.61 1a01 h LEU 34 N 0.67 0.54 -0.17 1.54 3.38 -1.25 -3.29 115.31 116.73 1a01 h LEU 34 Ca 0.14 -0.78 -0.22 0.00 0.09 0.00 0.00 57.88 57.11 1a01 h LEU 34 Cb 0.33 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1a01 h LEU 34 CO 0.01 1.25 -0.96 0.28 0.09 0.00 0.00 178.44 179.10 1a01 h SER 35 N -0.11 0.41 -2.83 -0.43 0.02 -0.73 -3.40 113.55 106.47 1a01 h SER 35 Ca -0.08 -0.35 -0.61 0.00 -0.84 0.00 0.00 61.79 59.92 1a01 h SER 35 Cb 1.36 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.37 1a01 h SER 35 CO 0.12 1.16 -0.78 -0.36 -1.14 0.00 0.00 176.83 175.84 1a01 s PHE 36 N -3.15 2.23 0.58 3.45 0.08 0.30 -5.00 117.98 116.47 1a01 s PHE 36 Ca -0.04 -2.75 0.28 0.00 0.12 0.00 0.00 56.93 54.54 1a01 s PHE 36 Cb 0.09 -1.79 1.55 0.00 -0.57 0.00 0.00 43.02 42.30 1a01 s PHE 36 CO 0.85 -0.71 2.03 -1.35 -0.10 0.00 0.00 175.22 175.94 1a01 h PRO 37 N 5.71 0.00 0.00 0.24 0.11 -1.75 -1.62 132.00 134.69 1a01 h PRO 37 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1a01 h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1a01 h PRO 37 CO 0.53 0.00 -0.10 1.79 -0.21 0.00 0.00 178.00 180.01 1a01 h THR 38 N 0.00 0.61 0.00 -1.15 1.35 -1.92 -1.52 112.91 110.28 1a01 h THR 38 Ca 0.15 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1a01 h THR 38 Cb 0.76 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1a01 h THR 38 CO -0.00 0.10 -0.03 0.71 -0.25 0.00 0.00 175.52 176.04 1a01 h THR 39 N 0.00 0.16 0.00 6.82 1.35 -1.62 -2.03 112.91 117.59 1a01 h THR 39 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1a01 h THR 39 Cb 0.26 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1a01 h THR 39 CO 0.01 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1a01 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.46 -2.84 116.57 118.56 1a01 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a01 h LYS 40 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1a01 h LYS 40 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1a01 n THR 41 N -2.42 0.89 1.22 -0.16 -2.24 -0.77 -1.96 114.28 108.85 1a01 n THR 41 Ca 0.01 0.40 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 1a01 n THR 41 Cb 0.18 -1.36 0.28 0.00 -2.10 0.00 0.00 70.33 67.33 1a01 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a01 n TYR 42 N -2.27 0.00 -2.81 4.78 4.01 -1.07 -4.38 117.16 115.42 1a01 n TYR 42 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 1a01 n TYR 42 Cb 0.16 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1a01 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a01 n PHE 43 N 0.75 1.80 0.28 -0.72 3.01 -0.83 -4.88 117.46 116.87 1a01 n PHE 43 Ca 0.16 -3.33 0.17 0.00 1.01 0.00 0.00 57.45 55.46 1a01 n PHE 43 Cb 0.48 -0.35 0.71 0.00 -0.01 0.00 0.00 39.48 40.32 1a01 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a01 h PRO 44 N 2.91 0.00 -0.19 -1.08 0.13 -1.77 -2.53 132.00 129.48 1a01 h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1a01 h PRO 44 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1a01 h PRO 44 CO 0.62 0.02 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1a01 n HIS 45 N -3.12 0.24 -4.13 1.56 1.44 -1.26 -4.91 115.22 105.03 1a01 n HIS 45 Ca 0.00 -0.12 -0.28 0.00 -2.01 0.00 0.00 57.72 55.31 1a01 n HIS 45 Cb 0.29 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.33 1a01 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a01 s PHE 46 N -1.76 2.99 -0.41 -1.40 0.40 -0.96 -5.08 117.98 111.77 1a01 s PHE 46 Ca 0.32 -0.05 -0.23 0.00 -0.60 0.00 0.00 56.93 56.37 1a01 s PHE 46 Cb 0.18 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 42.23 1a01 s PHE 46 CO 0.26 0.50 0.79 0.34 0.70 0.00 0.00 175.22 177.82 1a01 s ASP 47 N -2.64 6.48 -0.16 1.36 -1.08 -1.26 -4.92 116.67 114.45 1a01 s ASP 47 Ca 0.27 0.13 0.16 0.00 -0.52 0.00 0.00 52.55 52.59 1a01 s ASP 47 Cb -0.11 -2.39 0.74 0.00 -1.46 0.00 0.00 42.92 39.69 1a01 s ASP 47 CO 0.20 -0.83 1.64 0.18 0.52 0.00 0.00 175.17 176.87 1a01 n LEU 48 N 6.60 5.01 -4.80 -1.34 4.77 -1.26 -4.53 117.00 121.46 1a01 n LEU 48 Ca 0.03 -2.54 -0.33 0.00 -0.03 0.00 0.00 56.01 53.14 1a01 n LEU 48 Cb 0.48 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1a01 n LEU 48 CO 0.57 0.70 0.72 -0.94 -1.33 0.00 0.00 177.39 177.11 1a01 s SER 49 N -0.81 5.75 0.17 -1.43 1.04 -1.26 -4.92 113.70 112.24 1a01 s SER 49 Ca 0.50 1.87 -0.34 0.00 0.48 0.00 0.00 55.95 58.47 1a01 s SER 49 Cb 0.35 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.79 1a01 s SER 49 CO 0.20 -1.19 1.57 1.57 0.98 0.00 0.00 173.24 176.36 1a01 n HIS 50 N -1.94 2.29 -0.52 5.02 -0.00 -1.26 -0.56 115.22 118.24 1a01 n HIS 50 Ca 0.09 0.28 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1a01 n HIS 50 Cb 0.53 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 1a01 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a01 n GLY 51 N 3.31 0.98 3.66 1.57 0.00 -1.26 -5.01 105.19 108.44 1a01 n GLY 51 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1a01 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a01 n SER 52 N 0.00 2.89 0.22 1.61 2.88 0.27 -4.85 113.62 116.63 1a01 n SER 52 Ca 0.00 1.11 0.06 0.00 -1.33 0.00 0.00 58.87 58.71 1a01 n SER 52 Cb 0.00 -1.41 0.50 0.00 -0.75 0.00 0.00 64.21 62.54 1a01 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a01 h ALA 53 N 5.23 1.45 -0.53 -1.46 0.00 -1.89 -2.06 119.26 119.99 1a01 h ALA 53 Ca -0.45 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 1a01 h ALA 53 Cb 1.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1a01 h ALA 53 CO 0.83 0.31 0.00 1.96 0.00 0.00 0.00 179.25 182.36 1a01 h GLN 54 N 0.00 0.93 -0.31 0.00 4.20 -1.89 0.20 115.11 118.24 1a01 h GLN 54 Ca -0.00 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.33 1a01 h GLN 54 Cb 0.48 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1a01 h GLN 54 CO 0.03 0.94 -0.12 0.28 -0.67 0.00 0.00 178.83 179.29 1a01 h VAL 55 N 0.80 1.29 -0.57 -0.54 2.07 -1.73 0.21 116.25 117.78 1a01 h VAL 55 Ca 0.15 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1a01 h VAL 55 Cb 0.52 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1a01 h VAL 55 CO 0.03 0.39 0.31 0.11 0.02 0.00 0.00 177.57 178.42 1a01 h LYS 56 N 0.39 0.79 -0.28 1.57 1.57 -1.28 0.72 116.57 120.04 1a01 h LYS 56 Ca 0.07 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1a01 h LYS 56 Cb 0.64 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1a01 h LYS 56 CO 0.04 0.61 0.08 0.78 -0.57 0.00 0.00 179.45 180.39 1a01 h GLY 57 N 0.76 0.48 1.02 3.86 0.00 -0.47 -2.21 103.07 106.51 1a01 h GLY 57 Ca 0.20 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1a01 h GLY 57 CO -0.03 0.27 0.13 0.84 0.00 0.00 0.00 176.54 177.75 1a01 h HIS 58 N 0.29 1.03 -0.77 5.60 -0.00 -0.33 -2.71 115.15 118.25 1a01 h HIS 58 Ca 0.09 -0.13 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1a01 h HIS 58 Cb 0.26 -0.29 -0.08 0.00 -0.00 0.00 0.00 27.41 27.31 1a01 h HIS 58 CO 0.01 0.87 0.41 0.78 -0.00 0.00 0.00 177.93 180.00 1a01 h GLY 59 N 0.88 1.19 1.04 5.26 0.00 0.63 -1.61 103.07 110.47 1a01 h GLY 59 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1a01 h GLY 59 CO 0.01 0.07 0.23 1.70 0.00 0.00 0.00 176.54 178.54 1a01 h LYS 60 N 0.67 1.10 -0.54 4.80 3.11 -1.22 -1.14 116.57 123.35 1a01 h LYS 60 Ca 0.39 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.95 1a01 h LYS 60 Cb 0.41 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1a01 h LYS 60 CO -0.28 0.94 0.17 0.87 -2.81 0.00 0.00 179.45 178.34 1a01 h LYS 61 N 1.04 0.85 -0.21 1.90 1.57 -1.09 0.10 116.57 120.73 1a01 h LYS 61 Ca 0.23 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1a01 h LYS 61 Cb 0.29 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1a01 h LYS 61 CO -0.01 0.77 0.09 0.28 -0.57 0.00 0.00 179.45 180.01 1a01 h VAL 62 N 0.75 1.16 -0.55 0.50 2.07 -1.18 -1.52 116.25 117.48 1a01 h VAL 62 Ca 0.18 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1a01 h VAL 62 Cb 0.28 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1a01 h VAL 62 CO -0.01 0.16 0.27 0.00 0.02 0.00 0.00 177.57 178.01 1a01 h ALA 63 N 0.93 0.71 -0.84 1.67 0.00 -1.11 -2.14 119.26 118.49 1a01 h ALA 63 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1a01 h ALA 63 Cb 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1a01 h ALA 63 CO -0.01 0.27 0.44 -0.44 0.00 0.00 0.00 179.25 179.51 1a01 h ASP 64 N 0.74 1.06 -0.60 0.00 3.32 -0.68 -0.11 116.42 120.16 1a01 h ASP 64 Ca 0.19 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1a01 h ASP 64 Cb 0.11 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1a01 h ASP 64 CO -0.02 0.86 0.24 0.00 -1.72 0.00 0.00 179.24 178.60 1a01 h ALA 65 N 1.31 1.23 -0.29 3.45 0.00 -0.78 -1.96 119.26 122.22 1a01 h ALA 65 Ca 0.29 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1a01 h ALA 65 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1a01 h ALA 65 CO -0.04 0.56 -0.45 -0.07 0.00 0.00 0.00 179.25 179.24 1a01 h LEU 66 N 0.91 0.81 -0.59 0.00 4.07 -0.80 -1.02 115.31 118.69 1a01 h LEU 66 Ca 0.21 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1a01 h LEU 66 Cb 0.20 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1a01 h LEU 66 CO -0.02 1.14 0.24 0.74 -1.08 0.00 0.00 178.44 179.46 1a01 h THR 67 N 0.60 1.22 -0.82 0.22 2.02 -0.75 -0.04 112.91 115.36 1a01 h THR 67 Ca 0.04 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1a01 h THR 67 Cb 1.01 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1a01 h THR 67 CO 0.10 0.27 0.43 -1.13 0.37 0.00 0.00 175.52 175.55 1a01 h ASN 68 N 0.81 1.05 -0.48 4.18 -1.24 -1.12 -2.29 115.58 116.49 1a01 h ASN 68 Ca 0.20 -0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.02 1a01 h ASN 68 Cb 0.19 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1a01 h ASN 68 CO -0.02 0.86 -0.03 0.00 -1.29 0.00 0.00 177.43 176.96 1a01 h ALA 69 N 1.30 0.65 -0.76 1.57 0.00 -0.64 -2.41 119.26 118.97 1a01 h ALA 69 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1a01 h ALA 69 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1a01 h ALA 69 CO -0.04 0.48 0.26 0.28 0.00 0.00 0.00 179.25 180.23 1a01 h VAL 70 N 0.72 1.26 0.00 0.00 2.07 -0.76 -0.79 116.25 118.76 1a01 h VAL 70 Ca 0.13 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1a01 h VAL 70 Cb 0.55 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1a01 h VAL 70 CO 0.03 0.35 -0.25 0.00 0.02 0.00 0.00 177.57 177.72 1a01 h ALA 71 N 1.14 1.57 -0.42 1.67 0.00 -1.30 -2.85 119.26 119.08 1a01 h ALA 71 Ca 0.25 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 1a01 h ALA 71 Cb 0.28 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 17.81 1a01 h ALA 71 CO -0.01 0.32 -0.57 0.72 0.00 0.00 0.00 179.25 179.70 1a01 n HIS 72 N -4.22 1.50 -0.00 0.00 -0.00 -0.92 -4.84 115.22 106.73 1a01 n HIS 72 Ca -0.02 -1.90 0.22 0.00 -0.00 0.00 0.00 57.72 56.02 1a01 n HIS 72 Cb 0.31 -0.35 0.72 0.00 -0.00 0.00 0.00 29.99 30.67 1a01 n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1a01 h VAL 73 N 1.56 0.53 0.00 1.59 3.04 -0.90 0.17 116.25 122.25 1a01 h VAL 73 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1a01 h VAL 73 Cb 1.31 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1a01 h VAL 73 CO 0.44 0.00 -0.27 0.47 -1.01 0.00 0.00 177.57 177.20 1a01 n ASP 74 N -4.06 0.33 -3.04 3.17 8.00 -1.26 -4.28 116.55 115.41 1a01 n ASP 74 Ca 0.11 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 1a01 n ASP 74 Cb 0.69 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1a01 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a01 n ASP 75 N -1.60 0.11 -0.12 -2.24 2.03 0.57 -4.98 116.55 110.32 1a01 n ASP 75 Ca 0.06 -3.13 -0.10 0.00 0.52 0.00 0.00 54.79 52.14 1a01 n ASP 75 Cb 0.35 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.73 1a01 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a01 h MET 76 N 2.98 0.59 -0.67 -0.67 2.86 -1.63 -2.17 114.93 116.21 1a01 h MET 76 Ca 0.03 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1a01 h MET 76 Cb 1.02 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 1a01 h MET 76 CO 0.40 0.64 0.34 -1.35 1.06 0.00 0.00 176.91 178.01 1a01 h PRO 77 N 0.44 0.60 -0.06 -0.22 0.11 -1.93 0.66 132.00 131.59 1a01 h PRO 77 Ca 0.11 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.96 1a01 h PRO 77 Cb 0.33 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.32 1a01 h PRO 77 CO 0.00 0.39 -0.84 -0.97 -0.21 0.00 0.00 178.00 176.38 1a01 h ASN 78 N 0.61 0.83 -0.93 -2.05 -1.24 -1.96 -2.11 115.58 108.74 1a01 h ASN 78 Ca 0.31 -0.70 0.03 0.00 0.71 0.00 0.00 56.30 56.65 1a01 h ASN 78 Cb 0.27 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.01 1a01 h ASN 78 CO -0.22 1.41 0.61 0.00 -1.29 0.00 0.00 177.43 177.94 1a01 h ALA 79 N 0.44 1.39 -0.65 1.57 0.00 -0.95 -2.77 119.26 118.29 1a01 h ALA 79 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a01 h ALA 79 Cb 1.49 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a01 h ALA 79 CO 0.17 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1a01 n LEU 80 N -4.43 4.28 -0.16 0.00 4.77 0.18 -4.67 117.00 116.98 1a01 n LEU 80 Ca 0.12 -2.15 -0.02 0.00 -0.03 0.00 0.00 56.01 53.92 1a01 n LEU 80 Cb 0.08 -0.53 0.06 0.00 -2.33 0.00 0.00 43.42 40.69 1a01 n LEU 80 CO 0.35 0.83 0.85 -1.28 -1.33 0.00 0.00 177.39 176.81 1a01 h SER 81 N 3.98 -0.20 -0.29 -1.43 0.87 -1.08 -0.30 113.55 115.10 1a01 h SER 81 Ca 0.00 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1a01 h SER 81 Cb 1.24 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 1a01 h SER 81 CO 0.15 -0.07 -0.17 0.00 -0.53 0.00 0.00 176.83 176.21 1a01 h ALA 82 N 1.44 0.97 -0.07 6.23 0.00 -1.84 -1.52 119.26 124.47 1a01 h ALA 82 Ca 0.25 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1a01 h ALA 82 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a01 h ALA 82 CO -0.41 0.60 -0.58 -0.07 0.00 0.00 0.00 179.25 178.79 1a01 h LEU 83 N 0.66 0.24 -0.37 0.00 3.38 -1.76 -1.45 115.31 116.01 1a01 h LEU 83 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1a01 h LEU 83 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1a01 h LEU 83 CO 0.05 0.77 -0.06 0.28 0.09 0.00 0.00 178.44 179.57 1a01 h SER 84 N 0.16 0.69 -0.27 -0.43 0.02 -0.79 -1.63 113.55 111.30 1a01 h SER 84 Ca -0.00 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1a01 h SER 84 Cb 1.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1a01 h SER 84 CO 0.09 0.88 0.13 0.44 -1.14 0.00 0.00 176.83 177.22 1a01 h ASP 85 N 0.50 0.18 -0.13 3.07 3.32 -1.15 -0.53 116.42 121.68 1a01 h ASP 85 Ca 0.10 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1a01 h ASP 85 Cb 0.56 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1a01 h ASP 85 CO 0.03 0.14 -0.01 0.25 -1.72 0.00 0.00 179.24 177.93 1a01 h LEU 86 N 0.27 -0.08 -0.49 1.55 5.85 -1.18 0.12 115.31 121.35 1a01 h LEU 86 Ca 0.11 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 1a01 h LEU 86 Cb 0.04 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1a01 h LEU 86 CO -0.09 -0.02 -0.27 0.45 -0.34 0.00 0.00 178.44 178.18 1a01 h HIS 87 N 0.03 1.11 -0.21 1.25 3.86 -1.21 -0.57 115.15 119.40 1a01 h HIS 87 Ca 0.06 -0.29 -0.11 0.00 -1.16 0.00 0.00 60.37 58.87 1a01 h HIS 87 Cb 0.08 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 1a01 h HIS 87 CO -0.15 1.11 -0.30 0.00 0.86 0.00 0.00 177.93 179.44 1a01 h ALA 88 N 0.87 0.32 0.00 2.45 0.00 -0.96 1.18 119.26 123.12 1a01 h ALA 88 Ca 0.09 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1a01 h ALA 88 Cb 0.85 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a01 h ALA 88 CO 0.07 0.35 -1.95 0.72 0.00 0.00 0.00 179.25 178.44 1a01 n HIS 89 N -4.32 0.05 0.02 0.00 8.25 0.40 -4.53 115.22 115.09 1a01 n HIS 89 Ca -0.05 0.02 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1a01 n HIS 89 Cb 0.48 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1a01 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1a01 n LYS 90 N -2.28 0.07 -0.01 -0.41 4.81 -0.34 -4.85 118.16 115.15 1a01 n LYS 90 Ca -0.04 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1a01 n LYS 90 Cb 0.57 -0.63 -0.08 0.00 0.02 0.00 0.00 35.03 34.91 1a01 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1a01 h LEU 91 N -0.13 0.05 -1.92 3.14 3.38 -1.32 -3.48 115.31 115.03 1a01 h LEU 91 Ca -0.02 -0.33 -0.44 0.00 0.09 0.00 0.00 57.88 57.18 1a01 h LEU 91 Cb 0.32 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.08 1a01 h LEU 91 CO -0.01 0.37 -0.86 0.54 0.09 0.00 0.00 178.44 178.58 1a01 n ARG 92 N -4.89 -4.13 -2.41 1.13 1.74 0.41 -4.95 116.66 103.55 1a01 n ARG 92 Ca -0.07 0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 1a01 n ARG 92 Cb 0.19 -4.92 -0.03 0.00 -1.02 0.00 0.00 32.46 26.68 1a01 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a01 s VAL 93 N -3.75 4.08 0.32 1.55 1.01 -1.26 -4.98 120.40 117.38 1a01 s VAL 93 Ca 0.04 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 1a01 s VAL 93 Cb -0.01 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 1a01 s VAL 93 CO 0.84 0.06 1.44 -0.67 0.00 0.00 0.00 175.10 176.77 1a01 n ASP 94 N 4.55 3.29 0.12 3.32 -0.08 -1.26 -4.82 116.55 121.67 1a01 n ASP 94 Ca 0.10 1.18 0.18 0.00 -1.51 0.00 0.00 54.79 54.75 1a01 n ASP 94 Cb 0.46 -1.53 0.76 0.00 2.34 0.00 0.00 41.12 43.14 1a01 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a01 h PRO 95 N 3.56 0.00 -0.67 -0.67 0.11 -1.99 -1.61 132.00 130.73 1a01 h PRO 95 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1a01 h PRO 95 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1a01 h PRO 95 CO 0.70 0.00 0.45 -0.24 -0.21 0.00 0.00 178.00 178.69 1a01 h VAL 96 N 0.00 0.90 -0.01 3.15 3.04 -2.03 -2.34 116.25 118.96 1a01 h VAL 96 Ca 0.16 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.64 1a01 h VAL 96 Cb 0.77 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1a01 h VAL 96 CO -0.00 0.09 -0.17 0.78 -1.01 0.00 0.00 177.57 177.26 1a01 h ASN 97 N 0.49 0.02 -0.42 3.17 4.21 -1.64 -2.53 115.58 118.89 1a01 h ASN 97 Ca 0.31 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.81 1a01 h ASN 97 Cb 0.55 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1a01 h ASN 97 CO -0.10 0.19 0.22 -0.26 -1.29 0.00 0.00 177.43 176.20 1a01 h PHE 98 N 0.02 0.60 -0.32 1.19 -1.00 -1.59 -1.65 116.94 114.18 1a01 h PHE 98 Ca 0.00 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 1a01 h PHE 98 Cb 0.32 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1a01 h PHE 98 CO 0.00 0.44 -0.32 -0.22 -1.61 0.00 0.00 178.31 176.60 1a01 h LYS 99 N 0.62 0.71 -0.39 1.51 3.11 -1.58 -1.14 116.57 119.41 1a01 h LYS 99 Ca 0.16 -0.33 -0.11 0.00 -2.81 0.00 0.00 60.65 57.56 1a01 h LYS 99 Cb 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 1a01 h LYS 99 CO -0.02 0.94 -0.20 -0.07 -2.81 0.00 0.00 179.45 177.28 1a01 h LEU 100 N 0.60 0.85 -0.37 5.20 3.38 -1.46 -1.46 115.31 122.05 1a01 h LEU 100 Ca 0.07 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1a01 h LEU 100 Cb 0.84 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1a01 h LEU 100 CO 0.07 1.07 0.02 0.25 0.09 0.00 0.00 178.44 179.95 1a01 h LEU 101 N 0.62 0.61 -0.44 1.67 6.46 -1.20 -2.46 115.31 120.58 1a01 h LEU 101 Ca 0.08 -0.29 0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1a01 h LEU 101 Cb 0.76 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.48 1a01 h LEU 101 CO 0.06 0.75 0.16 0.28 -0.62 0.00 0.00 178.44 179.07 1a01 h SER 102 N 0.46 0.18 -0.21 1.25 0.02 -1.15 -0.03 113.55 114.07 1a01 h SER 102 Ca 0.11 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1a01 h SER 102 Cb 0.42 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1a01 h SER 102 CO 0.01 0.14 0.09 -0.74 -1.14 0.00 0.00 176.83 175.19 1a01 h HIS 103 N 0.33 0.17 -0.53 3.45 -0.00 -1.18 -1.32 115.15 116.07 1a01 h HIS 103 Ca 0.20 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 1a01 h HIS 103 Cb 0.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 1a01 h HIS 103 CO -0.15 0.09 0.25 0.00 -0.00 0.00 0.00 177.93 178.13 1a01 h LEU 105 N 0.74 0.62 -0.41 0.00 5.85 -0.73 -1.10 115.31 120.27 1a01 h LEU 105 Ca 0.18 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1a01 h LEU 105 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1a01 h LEU 105 CO -0.03 0.74 0.25 -0.07 -0.34 0.00 0.00 178.44 178.99 1a01 h LEU 106 N 0.49 0.49 -0.57 2.25 3.38 -0.60 -0.87 115.31 119.87 1a01 h LEU 106 Ca 0.12 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1a01 h LEU 106 Cb 0.39 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1a01 h LEU 106 CO 0.01 0.39 0.29 0.58 0.09 0.00 0.00 178.44 179.79 1a01 h VAL 107 N 0.54 0.94 -0.50 1.22 2.07 -0.93 -0.54 116.25 119.04 1a01 h VAL 107 Ca 0.15 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1a01 h VAL 107 Cb -0.02 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1a01 h VAL 107 CO -0.03 0.10 0.31 0.74 0.02 0.00 0.00 177.57 178.71 1a01 h THR 108 N 0.55 1.15 -0.25 2.57 2.02 -0.77 -1.79 112.91 116.38 1a01 h THR 108 Ca 0.26 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1a01 h THR 108 Cb 0.18 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1a01 h THR 108 CO -0.18 0.15 0.08 -0.07 0.37 0.00 0.00 175.52 175.86 1a01 h LEU 109 N 0.67 0.37 -0.58 2.58 4.07 -0.73 -2.57 115.31 119.11 1a01 h LEU 109 Ca 0.18 -0.20 0.10 0.00 0.08 0.00 0.00 57.88 58.04 1a01 h LEU 109 Cb -0.03 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.54 1a01 h LEU 109 CO -0.04 0.47 0.18 0.00 -1.08 0.00 0.00 178.44 177.97 1a01 h ALA 110 N 0.91 0.72 0.00 1.53 0.00 -0.84 0.10 119.26 121.69 1a01 h ALA 110 Ca 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1a01 h ALA 110 Cb 0.23 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a01 h ALA 110 CO -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 178.91 1a01 h ALA 111 N 1.43 1.05 0.00 0.00 0.00 -1.17 -3.31 119.26 117.25 1a01 h ALA 111 Ca 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1a01 h ALA 111 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1a01 h ALA 111 CO -0.33 0.11 -1.53 0.72 0.00 0.00 0.00 179.25 178.21 1a01 n HIS 112 N -3.26 0.00 -3.22 0.00 -0.00 -0.84 -4.80 115.22 103.09 1a01 n HIS 112 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1a01 n HIS 112 Cb 0.32 -0.32 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1a01 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a01 n LEU 113 N -2.03 3.58 0.04 2.41 4.77 0.29 -4.96 117.00 121.11 1a01 n LEU 113 Ca -0.07 -5.45 -0.13 0.00 -0.03 0.00 0.00 56.01 50.34 1a01 n LEU 113 Cb 0.45 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1a01 n LEU 113 CO 0.21 2.18 0.59 1.55 -1.33 0.00 0.00 177.39 180.59 1a01 h PRO 114 N 3.67 -0.52 -0.70 3.23 0.13 -1.82 -1.03 132.00 134.96 1a01 h PRO 114 Ca 0.16 0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.40 1a01 h PRO 114 Cb 0.64 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 1a01 h PRO 114 CO 0.78 -0.35 0.38 0.00 -0.23 0.00 0.00 178.00 178.58 1a01 h ALA 115 N 0.04 0.95 0.00 -0.56 0.00 -1.93 -3.00 119.26 114.75 1a01 h ALA 115 Ca 0.06 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1a01 h ALA 115 Cb 0.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1a01 h ALA 115 CO -0.34 0.02 -0.72 0.93 0.00 0.00 0.00 179.25 179.15 1a01 h GLU 116 N 0.67 0.00 -3.17 0.00 3.07 -1.90 -3.39 114.58 109.87 1a01 h GLU 116 Ca 0.32 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.54 1a01 h GLU 116 Cb 0.26 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1a01 h GLU 116 CO -0.22 0.72 3.64 0.34 -1.40 0.00 0.00 179.01 182.09 1a01 n PHE 117 N -3.46 2.41 -1.81 4.33 7.35 -0.42 -4.77 117.46 121.09 1a01 n PHE 117 Ca 0.00 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 1a01 n PHE 117 Cb 0.76 -2.40 0.08 0.00 0.35 0.00 0.00 39.48 38.26 1a01 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a01 s THR 118 N 2.45 2.80 0.28 -2.13 -4.23 -1.26 -4.76 115.64 108.79 1a01 s THR 118 Ca 0.64 0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1a01 s THR 118 Cb 0.17 -3.20 0.28 0.00 1.34 0.00 0.00 72.50 71.09 1a01 s THR 118 CO -0.06 -0.34 1.88 -0.65 -0.54 0.00 0.00 174.62 174.91 1a01 h PRO 119 N -0.93 1.06 -0.49 3.99 0.11 -1.99 0.44 132.00 134.19 1a01 h PRO 119 Ca -0.46 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1a01 h PRO 119 Cb 1.29 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1a01 h PRO 119 CO 0.64 0.70 -0.04 0.00 -0.21 0.00 0.00 178.00 179.08 1a01 h ALA 120 N 1.49 0.66 -0.34 -0.75 0.00 -1.96 -1.81 119.26 116.55 1a01 h ALA 120 Ca 0.44 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1a01 h ALA 120 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1a01 h ALA 120 CO -0.19 0.50 -0.29 0.28 0.00 0.00 0.00 179.25 179.55 1a01 h VAL 121 N 0.74 1.29 -0.45 0.00 2.07 -1.70 -2.10 116.25 116.10 1a01 h VAL 121 Ca 0.13 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.26 1a01 h VAL 121 Cb 0.57 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1a01 h VAL 121 CO 0.03 0.48 0.12 -0.74 0.02 0.00 0.00 177.57 177.48 1a01 h HIS 122 N 0.58 0.21 -0.49 1.57 6.17 -0.03 -0.46 115.15 122.70 1a01 h HIS 122 Ca 0.06 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.13 1a01 h HIS 122 Cb 0.87 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.75 1a01 h HIS 122 CO 0.07 0.05 0.17 0.00 0.71 0.00 0.00 177.93 178.92 1a01 h ALA 123 N 1.32 0.64 -0.74 5.26 0.00 -1.20 -1.76 119.26 122.79 1a01 h ALA 123 Ca 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a01 h ALA 123 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1a01 h ALA 123 CO -0.25 0.28 0.23 0.77 0.00 0.00 0.00 179.25 180.29 1a01 h SER 124 N 0.66 1.07 -0.70 0.00 0.02 -0.81 -1.97 113.55 111.81 1a01 h SER 124 Ca 0.16 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1a01 h SER 124 Cb 0.25 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1a01 h SER 124 CO -0.01 0.99 0.19 -0.07 -1.14 0.00 0.00 176.83 176.79 1a01 h LEU 125 N 1.09 1.05 -0.45 5.07 3.38 -0.93 -0.07 115.31 124.45 1a01 h LEU 125 Ca 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1a01 h LEU 125 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1a01 h LEU 125 CO -0.01 1.00 0.20 -0.78 0.09 0.00 0.00 178.44 178.95 1a01 h ASP 126 N 1.05 0.61 -0.50 -0.43 3.58 -1.05 0.67 116.42 120.35 1a01 h ASP 126 Ca 0.22 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 1a01 h ASP 126 Cb 0.35 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1a01 h ASP 126 CO -0.00 0.59 0.12 0.11 -2.88 0.00 0.00 179.24 177.18 1a01 h LYS 127 N 0.59 0.80 0.03 0.28 1.57 -1.16 -1.67 116.57 117.02 1a01 h LYS 127 Ca 0.15 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1a01 h LYS 127 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1a01 h LYS 127 CO -0.02 0.77 -0.01 0.35 -0.57 0.00 0.00 179.45 179.97 1a01 h PHE 128 N 0.69 -0.03 -0.28 -1.35 3.57 -0.52 -1.44 116.94 117.58 1a01 h PHE 128 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1a01 h PHE 128 Cb 0.33 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1a01 h PHE 128 CO 0.02 0.01 0.09 -0.07 -2.23 0.00 0.00 178.31 176.14 1a01 h LEU 129 N -0.07 0.35 -0.86 0.59 3.38 -0.79 -1.01 115.31 116.89 1a01 h LEU 129 Ca -0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1a01 h LEU 129 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1a01 h LEU 129 CO 0.01 0.34 -0.09 0.00 0.09 0.00 0.00 178.44 178.78 1a01 h ALA 130 N 1.72 1.04 -0.30 1.53 0.00 -0.97 -0.32 119.26 121.96 1a01 h ALA 130 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1a01 h ALA 130 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1a01 h ALA 130 CO -0.01 0.58 -0.10 0.77 0.00 0.00 0.00 179.25 180.50 1a01 h SER 131 N 0.68 0.61 -0.23 0.00 0.02 -0.45 -0.69 113.55 113.49 1a01 h SER 131 Ca 0.12 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1a01 h SER 131 Cb 0.56 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1a01 h SER 131 CO 0.03 0.85 0.12 0.58 -1.14 0.00 0.00 176.83 177.27 1a01 h VAL 132 N 0.36 1.12 -0.59 2.27 2.07 -1.07 -1.86 116.25 118.55 1a01 h VAL 132 Ca 0.07 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1a01 h VAL 132 Cb 0.60 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1a01 h VAL 132 CO 0.03 0.12 0.24 0.28 0.02 0.00 0.00 177.57 178.26 1a01 h SER 133 N 0.25 0.27 -0.28 0.57 0.02 -0.95 0.10 113.55 113.54 1a01 h SER 133 Ca 0.08 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1a01 h SER 133 Cb 0.08 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1a01 h SER 133 CO -0.01 0.17 0.14 0.74 -1.14 0.00 0.00 176.83 176.72 1a01 h THR 134 N 0.44 0.99 -0.12 -2.27 2.02 -1.00 -2.06 112.91 110.91 1a01 h THR 134 Ca 0.29 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 1a01 h THR 134 Cb 0.32 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1a01 h THR 134 CO -0.27 0.05 0.08 0.58 0.37 0.00 0.00 175.52 176.33 1a01 h VAL 135 N 0.29 1.06 0.00 3.16 2.07 -0.83 -1.64 116.25 120.36 1a01 h VAL 135 Ca 0.11 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1a01 h VAL 135 Cb 0.04 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1a01 h VAL 135 CO -0.08 0.05 -0.01 -0.07 0.02 0.00 0.00 177.57 177.48 1a01 h LEU 136 N 0.14 0.00 -2.12 2.57 3.38 -0.74 -2.45 115.31 116.08 1a01 h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a01 h LEU 136 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1a01 h LEU 136 CO -0.01 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1a01 n THR 137 N -3.40 0.50 0.31 0.22 -2.24 -0.79 -4.51 114.28 104.36 1a01 n THR 137 Ca -0.03 -0.75 0.19 0.00 -2.27 0.00 0.00 64.05 61.20 1a01 n THR 137 Cb 0.11 0.85 0.90 0.00 -2.10 0.00 0.00 70.33 70.08 1a01 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a01 h SER 138 N 1.73 0.00 -0.23 3.42 4.64 -0.80 -3.01 113.55 119.31 1a01 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a01 h SER 138 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1a01 h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a01 n LYS 139 N -2.99 2.71 -0.09 4.77 5.02 -1.26 -4.63 118.16 121.69 1a01 n LYS 139 Ca -0.01 -2.79 -0.00 0.00 -2.02 0.00 0.00 58.31 53.49 1a01 n LYS 139 Cb 0.19 -1.79 0.27 0.00 -0.02 0.00 0.00 35.03 33.68 1a01 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a01 h TYR 140 N 1.57 0.73 0.00 2.13 -1.99 -1.84 -3.46 116.97 114.11 1a01 h TYR 140 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1a01 h TYR 140 Cb 1.37 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1a01 h TYR 140 CO 0.42 0.58 0.00 2.89 -0.00 0.00 0.00 178.16 182.05