#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0u n HIS 2 N 0.00 1.63 -3.06 2.03 -0.00 -1.26 -5.01 115.22 109.55 1a0u n HIS 2 Ca 0.00 -1.91 -0.40 0.00 -0.00 0.00 0.00 57.72 55.41 1a0u n HIS 2 Cb 0.00 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.99 29.66 1a0u n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1a0u s LEU 3 N -3.26 4.17 0.34 0.27 1.43 -1.26 -5.04 118.68 115.33 1a0u s LEU 3 Ca 0.42 0.95 -0.27 0.00 -1.03 0.00 0.00 54.13 54.20 1a0u s LEU 3 Cb 0.38 -2.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 1a0u s LEU 3 CO -0.02 -0.28 1.11 -0.89 0.23 0.00 0.00 176.35 176.51 1a0u s THR 4 N 1.80 3.43 0.36 5.49 2.01 -1.26 -4.82 115.64 122.65 1a0u s THR 4 Ca 0.32 1.29 0.17 0.00 0.31 0.00 0.00 61.69 63.78 1a0u s THR 4 Cb -0.16 -3.76 0.36 0.00 0.01 0.00 0.00 72.50 68.94 1a0u s THR 4 CO 0.12 0.20 1.67 1.55 -0.69 0.00 0.00 174.62 177.46 1a0u h PRO 5 N 3.18 0.28 -0.30 4.92 0.13 -1.98 0.77 132.00 139.01 1a0u h PRO 5 Ca -0.48 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 1a0u h PRO 5 Cb 1.22 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a0u h PRO 5 CO 0.65 0.19 -0.31 0.93 -0.23 0.00 0.00 178.00 179.22 1a0u h GLU 6 N 0.29 0.74 0.00 0.86 3.07 -2.00 -1.84 114.58 115.69 1a0u h GLU 6 Ca 0.74 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1a0u h GLU 6 Cb 1.81 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.74 1a0u h GLU 6 CO -0.55 1.02 0.00 0.93 -1.40 0.00 0.00 179.01 179.00 1a0u h GLU 7 N 0.49 0.00 0.12 2.33 5.08 -0.12 -2.52 114.58 119.96 1a0u h GLU 7 Ca 0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.11 1a0u h GLU 7 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1a0u h GLU 7 CO 0.08 0.00 -1.41 0.87 -1.00 0.00 0.00 179.01 177.54 1a0u h LYS 8 N 0.00 0.26 -0.00 2.33 1.57 0.42 -3.00 116.57 118.15 1a0u h LYS 8 Ca 0.00 -0.45 -0.20 0.00 -1.87 0.00 0.00 60.65 58.14 1a0u h LYS 8 Cb 0.50 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1a0u h LYS 8 CO 0.00 1.16 -0.86 0.66 -0.57 0.00 0.00 179.45 179.84 1a0u h SER 9 N 0.07 0.27 -0.70 0.86 4.64 -1.11 -2.12 113.55 115.47 1a0u h SER 9 Ca -0.20 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1a0u h SER 9 Cb 2.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.98 1a0u h SER 9 CO 0.18 1.01 0.23 0.00 -0.87 0.00 0.00 176.83 177.38 1a0u h ALA 10 N 0.98 0.91 0.10 5.18 0.00 -1.55 0.67 119.26 125.55 1a0u h ALA 10 Ca -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a0u h ALA 10 Cb 1.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a0u h ALA 10 CO 0.13 0.57 -0.05 0.28 0.00 0.00 0.00 179.25 180.19 1a0u h VAL 11 N 1.01 1.13 -0.88 0.00 2.07 -1.50 -3.15 116.25 114.94 1a0u h VAL 11 Ca 0.23 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.72 1a0u h VAL 11 Cb 0.28 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1a0u h VAL 11 CO -0.01 0.25 0.56 0.74 0.02 0.00 0.00 177.57 179.13 1a0u h THR 12 N -0.65 1.12 0.00 2.57 2.02 -1.26 -2.40 112.91 114.31 1a0u h THR 12 Ca -0.01 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 1a0u h THR 12 Cb 0.51 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1a0u h THR 12 CO 0.02 0.20 -0.87 0.00 0.37 0.00 0.00 175.52 175.24 1a0u h ALA 13 N 1.38 0.51 -0.04 6.16 0.00 -0.97 -3.05 119.26 123.25 1a0u h ALA 13 Ca 0.36 -0.79 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1a0u h ALA 13 Cb 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a0u h ALA 13 CO -0.13 1.09 -0.49 1.25 0.00 0.00 0.00 179.25 180.96 1a0u h LEU 14 N 0.00 0.50 -1.15 0.00 7.12 -1.49 -3.29 115.31 117.00 1a0u h LEU 14 Ca -0.01 -0.71 0.09 0.00 0.13 0.00 0.00 57.88 57.38 1a0u h LEU 14 Cb 1.59 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 41.50 1a0u h LEU 14 CO 0.11 1.14 0.59 -0.25 -0.13 0.00 0.00 178.44 179.90 1a0u h TRP 15 N -0.09 1.02 0.00 1.25 2.91 -1.50 -1.47 115.95 118.07 1a0u h TRP 15 Ca -0.05 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 1a0u h TRP 15 Cb 1.18 -0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 29.49 1a0u h TRP 15 CO 0.14 0.48 -0.01 0.78 -1.03 0.00 0.00 178.44 178.79 1a0u h GLY 16 N 0.96 0.00 -0.95 2.65 0.00 -1.60 -0.14 103.07 103.98 1a0u h GLY 16 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1a0u h GLY 16 CO -0.18 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.64 1a0u n LYS 17 N -3.30 1.88 -3.31 4.80 5.02 -0.55 -4.95 118.16 117.75 1a0u n LYS 17 Ca -0.02 -1.28 -0.38 0.00 -2.02 0.00 0.00 58.31 54.60 1a0u n LYS 17 Cb 0.12 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1a0u n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a0u s VAL 18 N -1.97 4.96 -0.67 -0.18 1.01 -0.07 -5.02 120.40 118.45 1a0u s VAL 18 Ca 0.35 1.08 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 1a0u s VAL 18 Cb 0.21 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.86 1a0u s VAL 18 CO 0.32 0.46 0.76 0.21 0.00 0.00 0.00 175.10 176.85 1a0u s ASN 19 N -0.40 6.34 0.41 3.32 3.84 -1.26 -4.92 114.94 122.27 1a0u s ASN 19 Ca 0.28 -1.75 0.12 0.00 0.21 0.00 0.00 52.86 51.72 1a0u s ASN 19 Cb -0.17 -2.29 0.96 0.00 -0.55 0.00 0.00 41.25 39.19 1a0u s ASN 19 CO 0.15 -1.00 1.97 0.58 -2.79 0.00 0.00 177.10 176.01 1a0u h VAL 20 N 5.72 0.92 0.65 -5.21 2.07 -1.95 -0.63 116.25 117.82 1a0u h VAL 20 Ca -0.17 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1a0u h VAL 20 Cb 1.07 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1a0u h VAL 20 CO 1.04 0.09 -0.50 0.44 0.02 0.00 0.00 177.57 178.67 1a0u h ASP 21 N 0.50 -1.31 -0.09 0.57 5.19 -1.91 0.56 116.42 119.93 1a0u h ASP 21 Ca 0.30 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 1a0u h ASP 21 Cb 0.50 0.41 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 1a0u h ASP 21 CO -0.09 -0.71 -0.03 -0.33 -3.12 0.00 0.00 179.24 174.96 1a0u h GLU 22 N -1.11 0.19 -0.60 3.56 5.08 -1.92 -2.75 114.58 117.04 1a0u h GLU 22 Ca -0.09 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1a0u h GLU 22 Cb 0.92 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1a0u h GLU 22 CO 0.02 0.53 0.14 0.28 -1.00 0.00 0.00 179.01 178.98 1a0u h VAL 23 N -0.16 1.24 -0.40 3.13 2.07 -1.12 -1.95 116.25 119.05 1a0u h VAL 23 Ca 0.02 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 1a0u h VAL 23 Cb 0.46 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1a0u h VAL 23 CO 0.01 0.33 -0.12 1.23 0.02 0.00 0.00 177.57 179.04 1a0u h GLY 24 N 1.02 0.86 1.31 2.17 0.00 -0.95 -1.27 103.07 106.22 1a0u h GLY 24 Ca 0.19 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 1a0u h GLY 24 CO 0.00 0.66 -0.25 -1.33 0.00 0.00 0.00 176.54 175.63 1a0u h GLY 25 N 0.61 0.85 1.03 4.60 0.00 -1.35 -2.58 103.07 106.23 1a0u h GLY 25 Ca 0.10 -0.75 -0.16 0.00 0.00 0.00 0.00 47.33 46.52 1a0u h GLY 25 CO 0.04 0.68 -0.47 -2.09 0.00 0.00 0.00 176.54 174.71 1a0u h GLU 26 N 0.68 0.74 0.17 4.80 4.81 -1.31 -1.68 114.58 122.79 1a0u h GLU 26 Ca 0.09 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1a0u h GLU 26 Cb 0.77 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1a0u h GLU 26 CO 0.06 1.10 -0.08 0.00 -0.73 0.00 0.00 179.01 179.36 1a0u h ALA 27 N 0.63 -0.23 -0.61 2.92 0.00 -1.26 0.58 119.26 121.30 1a0u h ALA 27 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1a0u h ALA 27 Cb 1.07 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1a0u h ALA 27 CO 0.10 -0.57 0.22 1.25 0.00 0.00 0.00 179.25 180.26 1a0u h LEU 28 N -0.35 0.86 -0.10 0.00 5.85 -1.54 -1.82 115.31 118.22 1a0u h LEU 28 Ca -0.02 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1a0u h LEU 28 Cb 0.27 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1a0u h LEU 28 CO 0.04 0.82 0.03 1.23 -0.34 0.00 0.00 178.44 180.22 1a0u h GLY 29 N 0.86 0.17 0.95 3.75 0.00 -1.26 -2.40 103.07 105.13 1a0u h GLY 29 Ca 0.20 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1a0u h GLY 29 CO -0.01 0.09 0.60 3.21 0.00 0.00 0.00 176.54 180.42 1a0u h ARG 30 N -0.02 1.08 -0.21 4.80 3.08 -0.74 -1.98 114.38 120.39 1a0u h ARG 30 Ca 0.03 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1a0u h ARG 30 Cb 0.20 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1a0u h ARG 30 CO -0.00 0.71 0.06 1.25 -1.07 0.00 0.00 179.97 180.92 1a0u h LEU 31 N 1.11 0.05 -1.81 3.04 5.85 -1.14 0.19 115.31 122.60 1a0u h LEU 31 Ca 0.37 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1a0u h LEU 31 Cb 0.06 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1a0u h LEU 31 CO -0.12 0.06 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.83 1a0u h LEU 32 N 0.15 0.00 0.01 2.25 3.38 -0.87 -2.18 115.31 118.05 1a0u h LEU 32 Ca 0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1a0u h LEU 32 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1a0u h LEU 32 CO -0.10 0.15 -1.15 0.58 0.09 0.00 0.00 178.44 178.00 1a0u h VAL 33 N 0.00 1.01 -0.23 1.22 2.07 -0.86 -3.30 116.25 116.16 1a0u h VAL 33 Ca -0.00 -2.22 -0.09 0.00 0.82 0.00 0.00 66.70 65.21 1a0u h VAL 33 Cb 0.36 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1a0u h VAL 33 CO 0.02 0.40 -0.22 0.58 0.02 0.00 0.00 177.57 178.37 1a0u h VAL 34 N -0.91 1.32 -2.65 2.57 2.07 -0.64 -3.35 116.25 114.66 1a0u h VAL 34 Ca -0.31 -1.37 -0.63 0.00 0.82 0.00 0.00 66.70 65.21 1a0u h VAL 34 Cb 1.33 1.68 -0.40 0.00 -1.52 0.00 0.00 31.29 32.38 1a0u h VAL 34 CO -0.16 0.43 -0.44 -1.22 0.02 0.00 0.00 177.57 176.20 1a0u n TYR 35 N -4.39 3.51 -0.26 1.57 4.01 -0.82 -4.97 117.16 115.79 1a0u n TYR 35 Ca -0.05 -4.11 0.33 0.00 -0.16 0.00 0.00 57.90 53.91 1a0u n TYR 35 Cb 0.42 -0.69 0.73 0.00 -0.31 0.00 0.00 39.34 39.49 1a0u n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1a0u h PRO 36 N 4.84 0.00 0.00 -0.72 0.10 -1.70 -1.05 132.00 133.47 1a0u h PRO 36 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.28 1a0u h PRO 36 Cb 0.70 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.80 1a0u h PRO 36 CO 0.83 0.00 0.00 0.11 0.10 0.00 0.00 178.00 179.04 1a0u h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -2.03 115.95 112.75 1a0u h TRP 37 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.49 1a0u h TRP 37 Cb 2.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.38 1a0u h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1a0u n THR 38 N -2.93 0.87 0.36 0.12 -2.24 -0.40 -2.42 114.28 107.64 1a0u n THR 38 Ca -0.01 0.31 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 1a0u n THR 38 Cb 0.19 -1.25 0.37 0.00 -2.10 0.00 0.00 70.33 67.53 1a0u n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a0u n GLN 39 N -2.24 0.09 0.34 -0.78 6.02 -0.76 -2.90 117.38 117.14 1a0u n GLN 39 Ca 0.02 0.39 0.20 0.00 -0.01 0.00 0.00 57.00 57.60 1a0u n GLN 39 Cb 0.20 -1.69 1.08 0.00 1.02 0.00 0.00 30.24 30.85 1a0u n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1a0u h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.70 -1.50 114.38 110.19 1a0u h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a0u h ARG 40 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1a0u h ARG 40 CO 0.00 0.00 -0.72 1.19 0.10 0.00 0.00 179.97 180.54 1a0u n PHE 41 N -3.03 0.00 -2.30 4.08 3.72 -1.14 -4.53 117.46 114.26 1a0u n PHE 41 Ca -0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 1a0u n PHE 41 Cb 0.18 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1a0u n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a0u n PHE 42 N -0.98 3.06 -0.14 1.38 3.72 -0.57 -4.81 117.46 119.12 1a0u n PHE 42 Ca 0.06 -2.73 -0.10 0.00 -0.05 0.00 0.00 57.45 54.64 1a0u n PHE 42 Cb 0.37 -0.19 0.04 0.00 -0.94 0.00 0.00 39.48 38.76 1a0u n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a0u h GLU 43 N 2.43 0.93 0.00 -1.08 4.39 -1.80 -2.96 114.58 116.49 1a0u h GLU 43 Ca 0.31 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1a0u h GLU 43 Cb 1.18 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1a0u h GLU 43 CO 0.79 1.04 0.00 -1.13 -1.16 0.00 0.00 179.01 178.55 1a0u n SER 44 N -4.12 0.00 0.14 1.42 3.41 -1.26 -2.90 113.62 110.30 1a0u n SER 44 Ca 0.01 -0.28 0.02 0.00 -0.26 0.00 0.00 58.87 58.35 1a0u n SER 44 Cb 0.44 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1a0u n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1a0u h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.90 -3.50 116.94 117.87 1a0u h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1a0u h PHE 45 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1a0u h PHE 45 CO 0.00 0.52 0.00 0.41 -1.61 0.00 0.00 178.31 177.63 1a0u n GLY 46 N 1.23 0.20 3.57 -1.45 0.00 -1.14 -4.81 105.19 102.78 1a0u n GLY 46 Ca 0.02 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1a0u n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a0u s ASP 47 N -4.00 6.47 -0.11 1.61 2.15 -1.26 -4.83 116.67 116.70 1a0u s ASP 47 Ca 0.00 0.06 0.14 0.00 0.43 0.00 0.00 52.55 53.19 1a0u s ASP 47 Cb 0.00 -2.50 0.26 0.00 -0.30 0.00 0.00 42.92 40.38 1a0u s ASP 47 CO 0.00 -1.27 1.13 0.18 -0.17 0.00 0.00 175.17 175.04 1a0u n LEU 48 N 7.76 1.85 0.26 -1.34 4.77 -1.26 -4.18 117.00 124.86 1a0u n LEU 48 Ca 0.07 -2.72 0.12 0.00 -0.03 0.00 0.00 56.01 53.44 1a0u n LEU 48 Cb 0.48 -0.34 0.73 0.00 -2.33 0.00 0.00 43.42 41.97 1a0u n LEU 48 CO 0.68 0.70 1.00 0.28 -1.33 0.00 0.00 177.39 178.72 1a0u h SER 49 N 0.19 0.00 -5.17 -1.43 0.02 -1.90 -3.45 113.55 101.81 1a0u h SER 49 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1a0u h SER 49 Cb 1.12 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 1a0u h SER 49 CO 0.00 0.10 -0.50 0.42 -1.14 0.00 0.00 176.83 175.71 1a0u s THR 50 N -4.42 0.16 0.18 -2.27 -4.23 -1.26 -5.01 115.64 98.79 1a0u s THR 50 Ca -0.04 -1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 1a0u s THR 50 Cb 0.14 -1.30 0.10 0.00 1.34 0.00 0.00 72.50 72.78 1a0u s THR 50 CO 0.60 -0.75 1.60 -0.65 -0.54 0.00 0.00 174.62 174.88 1a0u h PRO 51 N 3.08 -0.18 -0.53 3.99 0.11 -1.98 0.18 132.00 136.65 1a0u h PRO 51 Ca -0.34 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.88 1a0u h PRO 51 Cb 1.18 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1a0u h PRO 51 CO 0.58 -0.12 0.13 -0.44 -0.21 0.00 0.00 178.00 177.94 1a0u h ASP 52 N -0.19 0.05 0.37 -2.05 3.32 -1.98 0.25 116.42 116.18 1a0u h ASP 52 Ca 0.20 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1a0u h ASP 52 Cb 0.53 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1a0u h ASP 52 CO -0.59 0.05 -0.31 0.00 -1.72 0.00 0.00 179.24 176.67 1a0u h ALA 53 N 1.41 1.41 0.04 3.45 0.00 -1.43 -0.89 119.26 123.24 1a0u h ALA 53 Ca 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a0u h ALA 53 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a0u h ALA 53 CO -0.33 0.39 -0.02 0.28 0.00 0.00 0.00 179.25 179.57 1a0u h VAL 54 N 0.00 1.02 -0.64 0.00 2.07 0.95 -2.65 116.25 117.01 1a0u h VAL 54 Ca -0.00 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 65.98 1a0u h VAL 54 Cb 0.58 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1a0u h VAL 54 CO 0.04 0.33 0.42 0.24 0.02 0.00 0.00 177.57 178.62 1a0u h MET 55 N -0.95 0.56 0.00 1.57 2.07 -0.58 -1.64 114.93 115.96 1a0u h MET 55 Ca -0.01 -0.03 -0.12 0.00 -2.07 0.00 0.00 59.70 57.47 1a0u h MET 55 Cb 0.58 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.16 1a0u h MET 55 CO 0.01 0.37 -0.74 0.78 1.07 0.00 0.00 176.91 178.39 1a0u h GLY 56 N 0.57 0.00 -5.59 8.32 0.00 -1.27 -3.46 103.07 101.63 1a0u h GLY 56 Ca 0.28 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.07 1a0u h GLY 56 CO -0.09 0.00 1.27 0.21 0.00 0.00 0.00 176.54 177.94 1a0u s ASN 57 N -6.30 6.30 0.40 0.19 3.84 -0.62 -4.84 114.94 113.91 1a0u s ASN 57 Ca 0.02 2.56 0.20 0.00 0.21 0.00 0.00 52.86 55.85 1a0u s ASN 57 Cb 0.08 -2.53 0.77 0.00 -0.55 0.00 0.00 41.25 39.03 1a0u s ASN 57 CO 0.76 -1.19 1.77 1.55 -2.79 0.00 0.00 177.10 177.21 1a0u h PRO 58 N 11.27 0.00 -0.22 0.43 0.13 -1.88 -1.15 132.00 140.57 1a0u h PRO 58 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1a0u h PRO 58 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1a0u h PRO 58 CO 0.94 0.32 -0.43 0.87 -0.23 0.00 0.00 178.00 179.47 1a0u h LYS 59 N 0.00 0.54 -0.18 0.86 1.57 -1.88 0.08 116.57 117.55 1a0u h LYS 59 Ca -0.00 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1a0u h LYS 59 Cb 0.83 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1a0u h LYS 59 CO 0.04 0.87 -0.15 0.28 -0.57 0.00 0.00 179.45 179.92 1a0u h VAL 60 N 0.44 1.33 -0.66 0.50 2.07 -1.81 -1.57 116.25 116.55 1a0u h VAL 60 Ca 0.03 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1a0u h VAL 60 Cb 0.93 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1a0u h VAL 60 CO 0.08 0.39 0.25 0.11 0.02 0.00 0.00 177.57 178.42 1a0u h LYS 61 N 0.09 1.00 0.00 1.57 1.57 -1.07 -0.90 116.57 118.84 1a0u h LYS 61 Ca 0.03 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 1a0u h LYS 61 Cb 0.68 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1a0u h LYS 61 CO 0.04 0.85 -0.75 0.00 -0.57 0.00 0.00 179.45 179.02 1a0u h ALA 62 N 1.11 0.76 -0.18 3.86 0.00 -0.99 -2.72 119.26 121.10 1a0u h ALA 62 Ca 0.22 -0.68 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1a0u h ALA 62 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a0u h ALA 62 CO -0.02 0.94 -0.67 1.25 0.00 0.00 0.00 179.25 180.75 1a0u h HIS 63 N 0.00 0.91 -0.71 0.00 -0.00 -1.04 -2.85 115.15 111.47 1a0u h HIS 63 Ca -0.01 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.37 59.99 1a0u h HIS 63 Cb 1.33 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 1a0u h HIS 63 CO 0.00 1.17 0.41 0.78 -0.00 0.00 0.00 177.93 180.29 1a0u h GLY 64 N 0.83 1.03 1.47 5.26 0.00 -1.05 -0.93 103.07 109.69 1a0u h GLY 64 Ca -0.02 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.73 1a0u h GLY 64 CO 0.13 0.42 -0.44 1.70 0.00 0.00 0.00 176.54 178.35 1a0u h LYS 65 N 0.98 0.57 -0.20 4.80 3.64 -1.46 -1.34 116.57 123.57 1a0u h LYS 65 Ca 0.25 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1a0u h LYS 65 Cb -0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1a0u h LYS 65 CO -0.05 0.91 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.66 1a0u h LYS 66 N 0.46 0.46 0.24 1.90 3.64 -1.20 -1.41 116.57 120.66 1a0u h LYS 66 Ca 0.03 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1a0u h LYS 66 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1a0u h LYS 66 CO 0.09 0.79 -0.11 0.28 -2.27 0.00 0.00 179.45 178.22 1a0u h VAL 67 N 0.13 0.82 0.00 2.00 2.07 -1.15 -2.31 116.25 117.82 1a0u h VAL 67 Ca 0.04 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1a0u h VAL 67 Cb 0.68 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1a0u h VAL 67 CO 0.04 0.08 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 1a0u h LEU 68 N -0.49 0.00 0.82 2.57 -0.00 -1.32 -1.30 115.31 115.59 1a0u h LEU 68 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 1a0u h LEU 68 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1a0u h LEU 68 CO 0.05 0.15 -0.39 1.23 -0.00 0.00 0.00 178.44 179.48 1a0u h GLY 69 N 1.01 -1.15 0.60 0.83 0.00 -1.04 0.40 103.07 103.71 1a0u h GLY 69 Ca -0.00 0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.85 1a0u h GLY 69 CO 0.02 -0.42 0.64 0.00 0.00 0.00 0.00 176.54 176.78 1a0u h ALA 70 N -1.09 1.49 0.05 3.60 0.00 -1.11 -1.26 119.26 120.93 1a0u h ALA 70 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a0u h ALA 70 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a0u h ALA 70 CO 0.19 0.31 -0.02 0.35 0.00 0.00 0.00 179.25 180.07 1a0u h PHE 71 N 1.06 -0.06 -0.55 0.00 3.04 -1.04 -2.70 116.94 116.68 1a0u h PHE 71 Ca 0.47 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.52 1a0u h PHE 71 Cb 0.36 0.02 -0.10 0.00 2.56 0.00 0.00 35.95 38.78 1a0u h PHE 71 CO -0.00 0.15 -0.14 1.03 -2.02 0.00 0.00 178.31 177.33 1a0u h SER 72 N -0.27 -0.52 -0.09 0.41 0.87 0.80 -0.12 113.55 114.63 1a0u h SER 72 Ca -0.01 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1a0u h SER 72 Cb 0.24 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1a0u h SER 72 CO 0.01 -0.18 -0.01 0.44 -0.53 0.00 0.00 176.83 176.56 1a0u h ASP 73 N -0.00 0.24 0.54 6.23 3.32 -1.22 -2.23 116.42 123.29 1a0u h ASP 73 Ca 0.26 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1a0u h ASP 73 Cb 0.40 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1a0u h ASP 73 CO -0.57 0.29 -0.18 1.23 -1.72 0.00 0.00 179.24 178.30 1a0u h GLY 74 N 0.54 0.00 1.95 2.75 0.00 -0.68 -2.54 103.07 105.08 1a0u h GLY 74 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1a0u h GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1a0u n LEU 75 N -3.59 0.00 0.00 3.11 4.77 -0.84 -1.27 117.00 119.18 1a0u n LEU 75 Ca -0.01 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 1a0u n LEU 75 Cb 0.31 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1a0u n LEU 75 CO 0.32 -0.25 0.20 0.00 -1.33 0.00 0.00 177.39 176.33 1a0u n ALA 76 N -1.47 4.14 -2.45 -1.18 0.00 -0.96 -4.20 120.51 114.39 1a0u n ALA 76 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 1a0u n ALA 76 Cb 0.15 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1a0u n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a0u n HIS 77 N -1.51 2.03 0.20 0.00 8.25 -0.39 -4.88 115.22 118.93 1a0u n HIS 77 Ca 0.05 -2.27 0.11 0.00 -0.26 0.00 0.00 57.72 55.35 1a0u n HIS 77 Cb 0.33 -0.28 0.60 0.00 1.12 0.00 0.00 29.99 31.77 1a0u n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1a0u h LEU 78 N 2.45 0.00 -1.93 2.41 5.85 -1.71 0.38 115.31 122.75 1a0u h LEU 78 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1a0u h LEU 78 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1a0u h LEU 78 CO 0.49 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 179.06 1a0u n ASP 79 N -2.35 2.96 -2.72 1.25 8.00 -1.26 0.90 116.55 123.34 1a0u n ASP 79 Ca -0.01 -1.95 -0.07 0.00 0.71 0.00 0.00 54.79 53.47 1a0u n ASP 79 Cb 0.18 -0.08 0.08 0.00 -0.02 0.00 0.00 41.12 41.29 1a0u n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a0u n ASN 80 N 1.26 -2.22 0.00 -2.24 5.15 0.13 -4.76 115.26 112.58 1a0u n ASN 80 Ca 0.16 -3.07 -0.03 0.00 -0.60 0.00 0.00 54.58 51.04 1a0u n ASN 80 Cb 0.57 1.64 0.21 0.00 -0.53 0.00 0.00 39.78 41.67 1a0u n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a0u h LEU 81 N 3.19 0.51 -0.06 1.20 3.38 -1.70 -2.00 115.31 119.83 1a0u h LEU 81 Ca -0.17 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1a0u h LEU 81 Cb 1.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1a0u h LEU 81 CO 0.13 0.72 -0.16 0.50 0.09 0.00 0.00 178.44 179.72 1a0u h LYS 82 N 0.47 -0.23 -0.06 1.13 1.63 -1.89 0.33 116.57 117.95 1a0u h LYS 82 Ca 0.08 0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.74 1a0u h LYS 82 Cb 0.60 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1a0u h LYS 82 CO 0.04 -0.15 -0.65 0.78 -3.45 0.00 0.00 179.45 176.02 1a0u h GLY 83 N -0.24 0.27 1.22 5.01 0.00 -1.94 -2.04 103.07 105.36 1a0u h GLY 83 Ca 0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1a0u h GLY 83 CO -0.20 0.32 -0.05 -0.84 0.00 0.00 0.00 176.54 175.77 1a0u h THR 84 N 0.18 1.26 -0.65 4.70 2.02 -0.72 -3.23 112.91 116.46 1a0u h THR 84 Ca -0.01 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1a0u h THR 84 Cb 1.18 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1a0u h THR 84 CO 0.10 0.41 0.00 0.49 0.37 0.00 0.00 175.52 176.89 1a0u n PHE 85 N -4.17 0.87 -0.06 3.16 3.72 0.11 -4.70 117.46 116.38 1a0u n PHE 85 Ca 0.02 -0.48 -0.07 0.00 -0.05 0.00 0.00 57.45 56.86 1a0u n PHE 85 Cb 0.35 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1a0u n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a0u h ALA 86 N 3.93 -0.02 -0.58 4.37 0.00 -1.39 0.25 119.26 125.83 1a0u h ALA 86 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1a0u h ALA 86 Cb 0.95 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1a0u h ALA 86 CO 0.00 -0.60 0.00 1.15 0.00 0.00 0.00 179.25 179.80 1a0u h THR 87 N -0.18 1.26 -0.17 0.00 2.02 -1.85 -1.78 112.91 112.21 1a0u h THR 87 Ca 0.15 -1.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.10 1a0u h THR 87 Cb 0.40 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1a0u h THR 87 CO -0.37 0.40 -0.39 0.25 0.37 0.00 0.00 175.52 175.78 1a0u h LEU 88 N 0.91 0.40 -0.26 2.58 5.85 -1.80 -1.81 115.31 121.18 1a0u h LEU 88 Ca 0.17 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1a0u h LEU 88 Cb 0.53 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1a0u h LEU 88 CO 0.03 0.75 0.05 -1.28 -0.34 0.00 0.00 178.44 177.64 1a0u h SER 89 N 0.32 0.42 -0.50 1.25 0.87 -0.11 -1.93 113.55 113.87 1a0u h SER 89 Ca 0.03 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1a0u h SER 89 Cb 0.83 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1a0u h SER 89 CO 0.07 0.57 0.16 -0.33 -0.53 0.00 0.00 176.83 176.76 1a0u h GLU 90 N 0.25 0.77 -0.25 2.24 5.08 -1.25 -2.59 114.58 118.82 1a0u h GLU 90 Ca 0.08 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1a0u h GLU 90 Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1a0u h GLU 90 CO 0.00 0.71 0.10 1.25 -1.00 0.00 0.00 179.01 180.08 1a0u h LEU 91 N 0.67 0.13 -1.35 1.33 5.85 -1.23 0.17 115.31 120.87 1a0u h LEU 91 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1a0u h LEU 91 Cb 0.26 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1a0u h LEU 91 CO -0.01 0.11 0.18 0.45 -0.34 0.00 0.00 178.44 178.83 1a0u h HIS 92 N 0.23 0.61 0.04 1.25 3.86 -1.30 0.14 115.15 119.98 1a0u h HIS 92 Ca 0.11 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1a0u h HIS 92 Cb 0.06 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1a0u h HIS 92 CO -0.11 0.48 -0.02 0.00 0.86 0.00 0.00 177.93 179.14 1a0u h ASP 94 N -0.37 0.01 0.00 0.00 3.32 -0.75 -3.06 116.42 115.58 1a0u h ASP 94 Ca -0.01 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.85 1a0u h ASP 94 Cb 0.04 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1a0u h ASP 94 CO 0.01 0.57 -1.63 0.29 -1.72 0.00 0.00 179.24 176.75 1a0u n LYS 95 N -3.88 0.25 0.11 3.56 4.01 0.31 -4.79 118.16 117.73 1a0u n LYS 95 Ca -0.01 0.09 0.06 0.00 -0.51 0.00 0.00 58.31 57.94 1a0u n LYS 95 Cb 0.56 -1.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.09 1a0u n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1a0u h LEU 96 N -0.29 0.00 -1.47 -0.35 3.38 -1.14 -3.49 115.31 111.96 1a0u h LEU 96 Ca -0.28 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.28 1a0u h LEU 96 Cb 1.29 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.10 1a0u h LEU 96 CO -0.13 0.28 -0.79 1.41 0.09 0.00 0.00 178.44 179.30 1a0u n HIS 97 N -2.93 -2.15 -3.34 1.13 8.25 0.44 -4.96 115.22 111.67 1a0u n HIS 97 Ca -0.02 0.89 -0.39 0.00 -0.26 0.00 0.00 57.72 57.94 1a0u n HIS 97 Cb 0.68 -4.46 -0.08 0.00 1.12 0.00 0.00 29.99 27.25 1a0u n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a0u s VAL 98 N -3.50 5.16 0.11 1.59 1.01 -0.38 -5.03 120.40 119.37 1a0u s VAL 98 Ca 0.22 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 1a0u s VAL 98 Cb -0.11 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1a0u s VAL 98 CO 0.80 0.20 1.58 -0.62 0.00 0.00 0.00 175.10 177.06 1a0u s ASP 99 N 1.21 6.62 0.61 3.32 2.15 -1.26 -4.76 116.67 124.56 1a0u s ASP 99 Ca 0.20 2.52 0.31 0.00 0.43 0.00 0.00 52.55 56.00 1a0u s ASP 99 Cb -0.15 -2.58 1.67 0.00 -0.30 0.00 0.00 42.92 41.56 1a0u s ASP 99 CO 0.09 -0.83 1.93 -0.65 -0.17 0.00 0.00 175.17 175.53 1a0u h PRO 100 N 7.47 0.00 0.00 4.34 0.11 -1.97 -0.69 132.00 141.27 1a0u h PRO 100 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1a0u h PRO 100 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1a0u h PRO 100 CO 0.92 0.00 -0.03 1.49 -0.21 0.00 0.00 178.00 180.17 1a0u h GLU 101 N 0.00 0.00 -0.55 1.05 4.57 -1.99 -1.15 114.58 116.51 1a0u h GLU 101 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1a0u h GLU 101 Cb 0.48 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1a0u h GLU 101 CO 0.00 0.03 0.36 -0.91 -1.18 0.00 0.00 179.01 177.31 1a0u h ASN 102 N 0.00 0.62 -0.45 1.04 -0.26 -1.49 -1.58 115.58 113.46 1a0u h ASN 102 Ca -0.00 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1a0u h ASN 102 Cb 0.05 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1a0u h ASN 102 CO 0.00 0.44 0.16 -0.26 -1.06 0.00 0.00 177.43 176.71 1a0u h PHE 103 N 0.73 0.76 -0.16 1.19 0.04 -1.38 -0.99 116.94 117.13 1a0u h PHE 103 Ca 0.20 -0.05 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 1a0u h PHE 103 Cb -0.06 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 37.87 1a0u h PHE 103 CO -0.00 0.62 -0.48 0.00 -0.60 0.00 0.00 178.31 177.85 1a0u h ARG 104 N 0.73 0.60 -0.33 1.51 3.08 -1.39 -2.08 114.38 116.51 1a0u h ARG 104 Ca 0.17 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1a0u h ARG 104 Cb 0.22 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1a0u h ARG 104 CO -0.01 1.06 0.21 -0.07 -1.07 0.00 0.00 179.97 180.09 1a0u h LEU 105 N 0.26 0.40 -0.50 3.04 3.38 -0.90 -2.28 115.31 118.71 1a0u h LEU 105 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a0u h LEU 105 Cb 1.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1a0u h LEU 105 CO 0.10 0.32 0.33 0.25 0.09 0.00 0.00 178.44 179.53 1a0u h LEU 106 N 0.44 0.58 -0.54 1.67 5.85 -1.20 -0.97 115.31 121.14 1a0u h LEU 106 Ca 0.12 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1a0u h LEU 106 Cb -0.01 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 1a0u h LEU 106 CO -0.02 0.42 -0.05 1.23 -0.34 0.00 0.00 178.44 179.68 1a0u h GLY 107 N 0.68 0.50 1.13 3.75 0.00 -1.14 0.86 103.07 108.86 1a0u h GLY 107 Ca 0.18 0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.50 1a0u h GLY 107 CO -0.04 -0.18 -0.19 3.43 0.00 0.00 0.00 176.54 179.57 1a0u h ASN 108 N 0.07 1.01 -0.28 0.19 2.35 -1.01 -1.09 115.58 116.82 1a0u h ASN 108 Ca 0.27 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1a0u h ASN 108 Cb 0.42 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1a0u h ASN 108 CO -0.49 1.16 0.18 0.58 -1.65 0.00 0.00 177.43 177.22 1a0u h VAL 109 N 0.86 1.08 -0.38 2.81 2.07 0.23 -2.09 116.25 120.83 1a0u h VAL 109 Ca 0.12 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1a0u h VAL 109 Cb 0.76 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1a0u h VAL 109 CO 0.06 0.08 -0.16 0.25 0.02 0.00 0.00 177.57 177.82 1a0u h LEU 110 N 0.38 -0.54 -1.20 2.57 5.85 0.10 0.27 115.31 122.74 1a0u h LEU 110 Ca 0.10 0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1a0u h LEU 110 Cb -0.03 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1a0u h LEU 110 CO -0.02 -0.19 0.57 0.58 -0.34 0.00 0.00 178.44 179.03 1a0u h VAL 111 N -0.08 1.02 -0.23 1.05 2.07 -0.90 -0.85 116.25 118.32 1a0u h VAL 111 Ca 0.19 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1a0u h VAL 111 Cb 0.37 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1a0u h VAL 111 CO -0.44 0.17 -0.45 0.00 0.02 0.00 0.00 177.57 176.87 1a0u h VAL 113 N 0.47 1.26 -0.78 0.00 2.07 -0.04 -1.24 116.25 117.98 1a0u h VAL 113 Ca 0.03 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1a0u h VAL 113 Cb 0.97 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1a0u h VAL 113 CO 0.09 0.36 0.36 -0.07 0.02 0.00 0.00 177.57 178.33 1a0u h LEU 114 N 0.60 1.04 -0.49 2.57 3.38 -1.10 -0.54 115.31 120.77 1a0u h LEU 114 Ca 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1a0u h LEU 114 Cb 0.51 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1a0u h LEU 114 CO 0.02 0.89 0.09 0.00 0.09 0.00 0.00 178.44 179.54 1a0u h ALA 115 N 1.19 0.65 -0.32 1.53 0.00 -1.25 -0.28 119.26 120.77 1a0u h ALA 115 Ca 0.27 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1a0u h ALA 115 Cb 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1a0u h ALA 115 CO -0.03 0.36 -0.04 1.25 0.00 0.00 0.00 179.25 180.79 1a0u h HIS 116 N 0.68 -0.10 -0.04 0.00 -0.00 -0.70 -0.65 115.15 114.34 1a0u h HIS 116 Ca 0.15 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1a0u h HIS 116 Cb 0.37 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1a0u h HIS 116 CO 0.03 -0.10 -0.08 0.45 -0.00 0.00 0.00 177.93 178.23 1a0u h HIS 117 N 0.04 0.16 -0.01 5.26 -0.00 -0.97 -3.36 115.15 116.27 1a0u h HIS 117 Ca 0.16 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1a0u h HIS 117 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1a0u h HIS 117 CO -0.27 0.66 -0.41 1.19 -0.00 0.00 0.00 177.93 179.10 1a0u n PHE 118 N -4.71 0.00 0.00 2.45 3.72 -0.13 -5.02 117.46 113.78 1a0u n PHE 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1a0u n PHE 118 Cb 0.33 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1a0u n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a0u n GLY 119 N 1.39 1.90 0.35 1.37 0.00 -0.25 -0.76 105.19 109.18 1a0u n GLY 119 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1a0u n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a0u n LYS 120 N 10.34 -0.19 0.10 1.61 4.76 -1.26 -0.81 118.16 132.70 1a0u n LYS 120 Ca 0.00 1.40 0.17 0.00 -2.87 0.00 0.00 58.31 57.02 1a0u n LYS 120 Cb 0.00 -2.09 0.71 0.00 -1.84 0.00 0.00 35.03 31.82 1a0u n LYS 120 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1a0u h GLU 121 N 0.00 0.00 -4.18 1.97 4.81 -1.35 -3.30 114.58 112.52 1a0u h GLU 121 Ca 0.34 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.83 1a0u h GLU 121 Cb 0.57 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.79 1a0u h GLU 121 CO -0.91 0.00 1.77 0.34 -0.73 0.00 0.00 179.01 179.48 1a0u n PHE 122 N -4.25 3.95 -1.67 0.92 7.35 0.01 -4.93 117.46 118.85 1a0u n PHE 122 Ca 0.06 -3.06 -0.31 0.00 -0.76 0.00 0.00 57.45 53.38 1a0u n PHE 122 Cb 0.46 -2.11 0.04 0.00 0.35 0.00 0.00 39.48 38.22 1a0u n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a0u s THR 123 N 1.17 4.04 0.24 -2.13 -4.23 -1.25 -4.75 115.64 108.73 1a0u s THR 123 Ca 0.42 0.66 -0.08 0.00 -1.18 0.00 0.00 61.69 61.51 1a0u s THR 123 Cb 0.04 -3.49 0.25 0.00 1.34 0.00 0.00 72.50 70.65 1a0u s THR 123 CO 0.00 -0.86 1.64 -0.65 -0.54 0.00 0.00 174.62 174.21 1a0u h PRO 124 N -0.66 0.11 -0.34 3.99 0.11 -1.94 0.59 132.00 133.86 1a0u h PRO 124 Ca -0.44 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1a0u h PRO 124 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1a0u h PRO 124 CO 0.59 0.07 -0.08 -1.35 -0.21 0.00 0.00 178.00 177.02 1a0u h PRO 125 N 0.11 0.56 -0.13 1.05 0.11 -1.99 0.09 132.00 131.81 1a0u h PRO 125 Ca 0.39 -0.15 -0.21 0.00 0.11 0.00 0.00 66.00 66.13 1a0u h PRO 125 Cb 0.66 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1a0u h PRO 125 CO -0.62 0.64 -0.77 0.28 -0.21 0.00 0.00 178.00 177.32 1a0u h VAL 126 N 0.52 1.31 -0.57 3.15 2.07 -0.94 -2.73 116.25 119.07 1a0u h VAL 126 Ca 0.10 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.60 1a0u h VAL 126 Cb 0.46 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1a0u h VAL 126 CO 0.02 0.63 0.35 -0.61 0.02 0.00 0.00 177.57 177.99 1a0u h GLN 127 N 0.45 0.69 -0.68 1.57 4.15 0.42 -1.92 115.11 119.78 1a0u h GLN 127 Ca -0.05 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.41 1a0u h GLN 127 Cb 1.38 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.85 1a0u h GLN 127 CO 0.15 0.46 0.34 0.00 -1.93 0.00 0.00 178.83 177.85 1a0u h ALA 128 N 1.23 0.92 -0.44 3.38 0.00 -0.91 0.18 119.26 123.63 1a0u h ALA 128 Ca 0.22 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1a0u h ALA 128 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1a0u h ALA 128 CO -0.08 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 178.96 1a0u h ALA 129 N 1.40 0.87 -0.08 0.00 0.00 -1.21 -2.65 119.26 117.59 1a0u h ALA 129 Ca 0.32 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1a0u h ALA 129 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1a0u h ALA 129 CO -0.24 0.64 -0.54 1.88 0.00 0.00 0.00 179.25 180.98 1a0u h TYR 130 N 0.74 0.27 -0.61 0.00 0.05 -0.53 -2.39 116.97 114.51 1a0u h TYR 130 Ca 0.11 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1a0u h TYR 130 Cb 0.69 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1a0u h TYR 130 CO 0.04 0.71 0.22 1.96 -1.05 0.00 0.00 178.16 180.05 1a0u h GLN 131 N 0.17 0.91 -0.45 4.88 1.08 -0.50 -0.22 115.11 120.98 1a0u h GLN 131 Ca 0.00 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1a0u h GLN 131 Cb 1.01 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1a0u h GLN 131 CO 0.08 0.76 -0.13 0.87 -0.95 0.00 0.00 178.83 179.46 1a0u h LYS 132 N 0.89 0.84 0.05 1.46 1.57 -1.18 -2.01 116.57 118.19 1a0u h LYS 132 Ca 0.21 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1a0u h LYS 132 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1a0u h LYS 132 CO -0.02 0.93 -0.02 0.28 -0.57 0.00 0.00 179.45 180.05 1a0u h VAL 133 N 0.75 1.25 -1.00 0.50 2.07 -0.87 -0.58 116.25 118.37 1a0u h VAL 133 Ca 0.12 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1a0u h VAL 133 Cb 0.64 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1a0u h VAL 133 CO 0.04 0.25 0.65 -0.37 0.02 0.00 0.00 177.57 178.17 1a0u h VAL 134 N -0.52 1.16 -0.17 2.57 -1.51 -1.08 0.70 116.25 117.40 1a0u h VAL 134 Ca -0.01 -0.43 -0.03 0.00 -1.23 0.00 0.00 66.70 65.01 1a0u h VAL 134 Cb 0.47 -0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.42 1a0u h VAL 134 CO 0.01 0.23 -0.01 0.00 -1.23 0.00 0.00 177.57 176.57 1a0u h ALA 135 N 1.41 0.23 -0.52 5.19 0.00 -1.37 -0.93 119.26 123.27 1a0u h ALA 135 Ca 0.40 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1a0u h ALA 135 Cb 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1a0u h ALA 135 CO -0.13 -0.05 0.20 0.78 0.00 0.00 0.00 179.25 180.04 1a0u h GLY 136 N 0.04 0.70 0.99 0.00 0.00 -0.21 0.18 103.07 104.77 1a0u h GLY 136 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1a0u h GLY 136 CO 0.01 0.02 0.21 -2.08 0.00 0.00 0.00 176.54 174.70 1a0u h VAL 137 N 0.38 1.23 -0.52 4.60 2.07 0.54 -1.14 116.25 123.41 1a0u h VAL 137 Ca 0.25 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1a0u h VAL 137 Cb 0.26 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1a0u h VAL 137 CO -0.24 0.28 0.34 0.00 0.02 0.00 0.00 177.57 177.97 1a0u h ALA 138 N 1.06 0.67 -0.43 1.67 0.00 -0.54 -0.79 119.26 120.89 1a0u h ALA 138 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a0u h ALA 138 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1a0u h ALA 138 CO -0.01 0.11 0.28 -0.91 0.00 0.00 0.00 179.25 178.72 1a0u h ASN 139 N 0.71 0.48 -0.50 0.00 2.35 -0.78 -1.53 115.58 116.31 1a0u h ASN 139 Ca 0.19 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1a0u h ASN 139 Cb -0.07 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1a0u h ASN 139 CO -0.04 0.35 0.27 0.00 -1.65 0.00 0.00 177.43 176.35 1a0u h ALA 140 N 1.17 0.64 0.00 -0.83 0.00 -0.89 -1.62 119.26 117.73 1a0u h ALA 140 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1a0u h ALA 140 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1a0u h ALA 140 CO -0.04 0.17 -0.23 -0.07 0.00 0.00 0.00 179.25 179.07 1a0u h LEU 141 N 0.67 0.00 0.00 0.00 3.38 -0.80 -2.85 115.31 115.71 1a0u h LEU 141 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1a0u h LEU 141 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1a0u h LEU 141 CO -0.03 0.23 -0.65 0.00 0.09 0.00 0.00 178.44 178.08 1a0u h ALA 142 N 1.77 0.57 -0.88 1.53 0.00 -0.92 -3.39 119.26 117.93 1a0u h ALA 142 Ca -0.00 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1a0u h ALA 142 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1a0u h ALA 142 CO 0.03 0.00 0.45 1.25 0.00 0.00 0.00 179.25 180.99 1a0u h HIS 143 N 0.00 0.79 -0.31 0.00 6.17 -1.05 -2.63 115.15 118.12 1a0u h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1a0u h HIS 143 Cb 0.77 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1a0u h HIS 143 CO 0.00 0.14 0.00 1.63 0.71 0.00 0.00 177.93 180.41 1a0u n LYS 144 N -4.89 1.80 -2.25 5.26 4.76 -1.26 -4.93 118.16 116.64 1a0u n LYS 144 Ca 0.19 -1.23 -0.39 0.00 -2.87 0.00 0.00 58.31 54.01 1a0u n LYS 144 Cb 0.51 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 1a0u n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a0u s TYR 145 N -1.59 3.14 0.00 2.13 1.51 -1.00 -4.77 117.35 116.77 1a0u s TYR 145 Ca 0.26 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1a0u s TYR 145 Cb 0.14 -3.49 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1a0u s TYR 145 CO 0.19 -1.41 0.00 -2.39 -1.11 0.00 0.00 175.55 170.83