#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a73 n LEU 3 N 0.00 3.34 -4.83 0.00 4.77 -1.26 -4.96 117.00 114.06 1a73 n LEU 3 Ca 0.00 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 1a73 n LEU 3 Cb 0.00 -1.46 0.12 0.00 -2.33 0.00 0.00 43.42 39.75 1a73 n LEU 3 CO 0.00 -0.34 0.74 0.42 -1.33 0.00 0.00 177.39 176.89 1a73 s THR 4 N 0.10 2.00 0.25 -5.08 -4.23 -1.26 -4.84 115.64 102.58 1a73 s THR 4 Ca 0.69 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1a73 s THR 4 Cb -0.62 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 70.58 1a73 s THR 4 CO 0.48 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 177.20 1a73 h ASN 5 N -1.32 1.06 -0.81 3.99 2.35 -1.99 -1.22 115.58 117.64 1a73 h ASN 5 Ca -0.49 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1a73 h ASN 5 Cb 1.33 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.39 1a73 h ASN 5 CO 0.64 0.87 0.39 0.00 -1.65 0.00 0.00 177.43 177.67 1a73 h ALA 6 N 1.30 1.16 -0.38 -0.83 0.00 -1.99 -0.78 119.26 117.75 1a73 h ALA 6 Ca 0.30 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1a73 h ALA 6 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1a73 h ALA 6 CO -0.04 0.64 -0.21 1.96 0.00 0.00 0.00 179.25 181.60 1a73 h GLN 7 N 1.16 0.73 -0.54 0.00 4.20 -1.71 -2.06 115.11 116.90 1a73 h GLN 7 Ca 0.28 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1a73 h GLN 7 Cb 0.11 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1a73 h GLN 7 CO -0.04 0.88 -0.10 0.82 -0.67 0.00 0.00 178.83 179.72 1a73 h ILE 8 N 0.64 1.27 -0.82 2.54 1.08 -0.81 -2.34 117.51 119.07 1a73 h ILE 8 Ca 0.09 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1a73 h ILE 8 Cb 0.70 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 1a73 h ILE 8 CO 0.05 0.44 0.53 -0.07 -0.69 0.00 0.00 178.15 178.41 1a73 h LEU 9 N 0.89 0.96 -0.96 1.44 3.38 -0.91 -0.17 115.31 119.93 1a73 h LEU 9 Ca 0.14 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1a73 h LEU 9 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1a73 h LEU 9 CO 0.05 0.71 -0.09 0.00 0.09 0.00 0.00 178.44 179.19 1a73 h ALA 10 N 1.46 1.13 -0.41 1.53 0.00 -1.12 -0.56 119.26 121.29 1a73 h ALA 10 Ca 0.30 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1a73 h ALA 10 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1a73 h ALA 10 CO -0.06 0.55 -0.28 0.28 0.00 0.00 0.00 179.25 179.73 1a73 h VAL 11 N 0.60 1.27 -0.54 0.00 2.07 -0.72 -1.24 116.25 117.69 1a73 h VAL 11 Ca 0.11 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 1a73 h VAL 11 Cb 0.52 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1a73 h VAL 11 CO 0.03 0.49 -0.10 0.40 0.02 0.00 0.00 177.57 178.41 1a73 h ILE 12 N 0.75 1.27 -0.46 4.57 2.04 -0.67 -1.37 117.51 123.64 1a73 h ILE 12 Ca 0.09 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1a73 h ILE 12 Cb 0.85 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1a73 h ILE 12 CO 0.07 0.44 0.09 0.44 0.00 0.00 0.00 178.15 179.19 1a73 h ASP 13 N 0.89 0.72 0.19 1.72 3.32 -0.95 0.02 116.42 122.34 1a73 h ASP 13 Ca 0.14 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1a73 h ASP 13 Cb 0.66 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1a73 h ASP 13 CO 0.05 0.79 -0.37 0.77 -1.72 0.00 0.00 179.24 178.75 1a73 h SER 14 N 0.62 0.26 -0.08 6.45 4.64 -1.12 -1.47 113.55 122.86 1a73 h SER 14 Ca 0.14 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1a73 h SER 14 Cb 0.37 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1a73 h SER 14 CO 0.01 0.62 0.00 -0.25 -0.87 0.00 0.00 176.83 176.34 1a73 h TRP 15 N 0.22 0.15 -0.84 4.77 7.01 -0.93 -2.39 115.95 123.94 1a73 h TRP 15 Ca 0.02 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1a73 h TRP 15 Cb 0.76 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.74 1a73 h TRP 15 CO 0.01 0.39 0.55 0.93 -2.79 0.00 0.00 178.44 177.54 1a73 h GLU 16 N -0.14 1.06 -0.56 2.65 5.08 -0.81 -1.03 114.58 120.84 1a73 h GLU 16 Ca 0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1a73 h GLU 16 Cb 0.33 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1a73 h GLU 16 CO 0.00 0.70 0.33 1.49 -1.00 0.00 0.00 179.01 180.53 1a73 h GLU 17 N 1.09 0.62 -0.04 2.33 4.81 -1.17 0.14 114.58 122.36 1a73 h GLU 17 Ca 0.32 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1a73 h GLU 17 Cb -0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1a73 h GLU 17 CO -0.09 0.41 -0.11 1.15 -0.73 0.00 0.00 179.01 179.64 1a73 h THR 18 N 0.64 1.44 -0.13 0.32 2.02 -1.09 -3.23 112.91 112.88 1a73 h THR 18 Ca 0.23 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 1a73 h THR 18 Cb 0.05 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1a73 h THR 18 CO -0.11 0.40 -0.13 0.58 0.37 0.00 0.00 175.52 176.63 1a73 h VAL 19 N -0.38 1.17 -0.03 3.16 2.07 -1.10 -1.73 116.25 119.41 1a73 h VAL 19 Ca -0.00 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1a73 h VAL 19 Cb 0.71 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1a73 h VAL 19 CO 0.02 0.23 0.04 1.23 0.02 0.00 0.00 177.57 179.12 1a73 h GLY 20 N 0.71 0.00 -1.23 2.17 0.00 -0.74 -0.96 103.07 103.02 1a73 h GLY 20 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1a73 h GLY 20 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 1a73 n GLN 21 N -3.75 1.98 -2.18 4.80 6.02 -0.65 -4.93 117.38 118.68 1a73 n GLN 21 Ca -0.02 -1.45 -0.34 0.00 -0.01 0.00 0.00 57.00 55.17 1a73 n GLN 21 Cb 0.13 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1a73 n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1a73 s PHE 22 N -1.83 2.81 0.18 1.08 0.08 -0.37 -4.92 117.98 115.01 1a73 s PHE 22 Ca 0.34 1.55 -0.33 0.00 0.12 0.00 0.00 56.93 58.61 1a73 s PHE 22 Cb 0.20 -3.15 -0.14 0.00 -0.57 0.00 0.00 43.02 39.36 1a73 s PHE 22 CO 0.30 -1.32 1.47 -2.30 -0.10 0.00 0.00 175.22 173.27 1a73 n PRO 23 N -1.60 1.94 -3.49 0.24 -0.02 -1.25 -4.67 135.00 126.14 1a73 n PRO 23 Ca 0.10 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 1a73 n PRO 23 Cb 0.52 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1a73 n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a73 s VAL 24 N 0.46 5.25 -0.15 -1.45 1.01 -1.26 -1.65 120.40 122.61 1a73 s VAL 24 Ca 0.75 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1a73 s VAL 24 Cb -0.71 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1a73 s VAL 24 CO 0.44 -0.01 -0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1a73 s ILE 25 N 1.82 3.99 -0.26 2.22 -1.09 0.12 -4.92 121.20 123.08 1a73 s ILE 25 Ca 0.08 -0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 57.98 1a73 s ILE 25 Cb -0.17 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 1a73 s ILE 25 CO 0.11 0.50 0.59 -0.89 -1.23 0.00 0.00 174.94 174.02 1a73 s THR 26 N 0.25 5.01 -0.05 2.92 2.01 -1.26 -0.76 115.64 123.75 1a73 s THR 26 Ca -0.02 1.02 0.05 0.00 0.31 0.00 0.00 61.69 63.05 1a73 s THR 26 Cb -0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 1a73 s THR 26 CO 0.03 0.04 -0.21 -1.00 -0.69 0.00 0.00 174.62 172.78 1a73 s HIS 27 N 2.44 2.52 -0.26 4.92 3.76 0.18 -4.98 115.29 123.88 1a73 s HIS 27 Ca 0.24 -0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 1a73 s HIS 27 Cb -0.15 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 1a73 s HIS 27 CO 0.09 -0.08 0.38 -1.01 -0.85 0.00 0.00 174.74 173.27 1a73 s HIS 28 N -0.35 3.27 0.14 1.40 3.76 -1.26 -0.64 115.29 121.61 1a73 s HIS 28 Ca 0.02 0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.45 1a73 s HIS 28 Cb -0.12 -2.57 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1a73 s HIS 28 CO 0.02 -0.19 -0.15 0.14 -0.85 0.00 0.00 174.74 173.71 1a73 s VAL 29 N 1.95 1.47 0.22 -0.90 -7.23 -0.53 -4.94 120.40 110.43 1a73 s VAL 29 Ca 0.16 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 1a73 s VAL 29 Cb -0.16 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.04 1a73 s VAL 29 CO 0.09 -0.42 1.11 -2.16 -0.31 0.00 0.00 175.10 173.41 1a73 s PRO 30 N -2.83 4.61 0.00 4.82 0.04 -1.26 -0.28 135.00 140.10 1a73 s PRO 30 Ca 0.12 1.76 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1a73 s PRO 30 Cb -0.04 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 1a73 s PRO 30 CO 0.04 0.13 0.60 1.28 0.04 0.00 0.00 177.00 179.08 1a73 n LEU 31 N 1.87 0.72 0.00 -3.56 4.77 -0.29 -0.80 117.00 119.71 1a73 n LEU 31 Ca 0.01 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1a73 n LEU 31 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1a73 n LEU 31 CO 0.54 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1a73 n GLY 32 N 1.29 2.29 3.77 -0.72 0.00 -1.25 -1.11 105.19 109.46 1a73 n GLY 32 Ca 0.03 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 1a73 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a73 n GLY 33 N 1.32 -0.50 3.91 -0.02 0.00 -1.20 -1.96 105.19 106.74 1a73 n GLY 33 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1a73 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a73 n GLY 34 N -1.63 1.04 3.83 -0.02 0.00 -1.26 -4.98 105.19 102.17 1a73 n GLY 34 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1a73 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a73 s LEU 35 N 0.00 4.04 -0.01 0.99 1.43 -0.83 -4.98 118.68 119.31 1a73 s LEU 35 Ca 0.00 1.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 1a73 s LEU 35 Cb 0.00 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 1a73 s LEU 35 CO 0.00 -0.26 -0.17 -1.58 0.23 0.00 0.00 176.35 174.57 1a73 s GLN 36 N -2.96 2.29 0.12 1.70 2.00 -1.26 -1.14 119.66 120.40 1a73 s GLN 36 Ca 0.57 -0.84 0.01 0.00 -2.00 0.00 0.00 55.36 53.10 1a73 s GLN 36 Cb -0.11 -2.26 -0.00 0.00 0.80 0.00 0.00 33.01 31.44 1a73 s GLN 36 CO 0.16 0.58 0.03 0.41 -0.50 0.00 0.00 175.29 175.97 1a73 n GLY 37 N 2.03 3.90 2.95 2.59 0.00 0.62 -4.89 105.19 112.40 1a73 n GLY 37 Ca -0.17 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.63 1a73 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a73 s THR 38 N -1.86 0.62 -0.01 2.61 2.01 -1.26 -1.46 115.64 116.29 1a73 s THR 38 Ca 0.04 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1a73 s THR 38 Cb 0.00 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1a73 s THR 38 CO 0.03 0.22 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.24 1a73 s LEU 39 N 0.41 2.04 -0.34 4.42 1.02 0.19 -4.97 118.68 121.45 1a73 s LEU 39 Ca -0.06 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.74 1a73 s LEU 39 Cb -0.10 -0.93 0.07 0.00 0.02 0.00 0.00 46.19 45.26 1a73 s LEU 39 CO 0.00 0.22 0.07 -1.00 0.02 0.00 0.00 176.35 175.67 1a73 s HIS 40 N -0.43 3.42 -0.03 0.29 3.76 -1.26 -0.64 115.29 120.39 1a73 s HIS 40 Ca 0.07 -2.15 -0.13 0.00 -0.15 0.00 0.00 55.06 52.70 1a73 s HIS 40 Cb -0.07 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 1a73 s HIS 40 CO -0.01 -0.87 0.35 0.00 -0.85 0.00 0.00 174.74 173.36 1a73 s TYR 42 N -0.98 3.47 -0.17 0.00 1.51 -1.26 0.12 117.35 120.04 1a73 s TYR 42 Ca 0.22 -1.84 -0.19 0.00 -1.01 0.00 0.00 57.07 54.25 1a73 s TYR 42 Cb -0.16 -3.64 -0.03 0.00 -0.11 0.00 0.00 41.96 38.02 1a73 s TYR 42 CO 0.11 -0.98 0.54 -1.21 -1.11 0.00 0.00 175.55 172.90 1a73 s GLU 43 N 0.93 4.24 0.32 -0.62 2.02 -0.66 -0.68 118.70 124.25 1a73 s GLU 43 Ca 0.10 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.29 1a73 s GLU 43 Cb -0.22 -3.53 -0.10 0.00 0.10 0.00 0.00 34.13 30.38 1a73 s GLU 43 CO -0.02 -0.09 1.31 -1.50 0.02 0.00 0.00 175.26 174.99 1a73 s ILE 44 N 1.41 2.75 0.85 -1.63 2.07 -0.61 -3.90 121.20 122.15 1a73 s ILE 44 Ca 0.26 0.74 -0.13 0.00 -1.41 0.00 0.00 60.65 60.11 1a73 s ILE 44 Cb -0.16 -3.47 0.05 0.00 0.13 0.00 0.00 42.46 39.02 1a73 s ILE 44 CO 0.10 0.17 0.83 -2.65 -1.91 0.00 0.00 174.94 171.48 1a73 n PRO 45 N 1.04 -0.03 0.22 3.50 -0.02 -1.26 -4.92 135.00 133.54 1a73 n PRO 45 Ca 0.01 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1a73 n PRO 45 Cb 0.42 -2.14 0.42 0.00 -0.02 0.00 0.00 33.50 32.17 1a73 n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a73 h LEU 46 N -1.13 0.00 -8.16 2.45 3.38 -1.93 -3.46 115.31 106.45 1a73 h LEU 46 Ca -0.45 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1a73 h LEU 46 Cb 1.30 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.92 1a73 h LEU 46 CO 0.41 0.17 -0.41 0.00 0.09 0.00 0.00 178.44 178.70 1a73 s ALA 47 N -3.51 0.23 0.56 1.53 0.00 -1.26 -5.15 121.76 114.15 1a73 s ALA 47 Ca 0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 1a73 s ALA 47 Cb 0.09 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1a73 s ALA 47 CO 0.63 -0.59 1.25 0.00 0.00 0.00 0.00 175.76 177.05 1a73 s ALA 48 N -3.98 2.70 0.40 0.00 0.00 -1.26 -4.28 121.76 115.34 1a73 s ALA 48 Ca 0.18 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 1a73 s ALA 48 Cb 0.05 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1a73 s ALA 48 CO -0.00 -1.17 0.91 -1.25 0.00 0.00 0.00 175.76 174.25 1a73 s PRO 49 N -3.07 4.22 -0.14 0.00 0.04 -1.26 -5.13 135.00 129.66 1a73 s PRO 49 Ca 0.73 1.06 0.12 0.00 0.04 0.00 0.00 61.00 62.95 1a73 s PRO 49 Cb -0.34 -2.28 -0.24 0.00 0.04 0.00 0.00 34.50 31.68 1a73 s PRO 49 CO 0.39 0.03 0.31 0.66 0.04 0.00 0.00 177.00 178.42 1a73 n TYR 50 N -0.48 0.50 0.00 0.56 4.01 -1.26 -4.81 117.16 115.69 1a73 n TYR 50 Ca 0.06 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1a73 n TYR 50 Cb 0.53 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 1a73 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a73 n GLY 51 N 1.73 3.93 3.68 2.72 0.00 -1.26 -4.53 105.19 111.46 1a73 n GLY 51 Ca -0.28 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.06 1a73 n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a73 n VAL 52 N -1.59 0.42 -0.12 1.61 0.31 -1.26 -1.48 118.33 116.22 1a73 n VAL 52 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a73 n VAL 52 Cb 0.00 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 1a73 n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a73 n GLY 53 N 4.15 1.14 3.70 2.92 0.00 -1.26 -4.98 105.19 110.86 1a73 n GLY 53 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1a73 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a73 s PHE 54 N -2.55 3.25 -0.01 1.61 0.08 -0.55 -0.85 117.98 118.96 1a73 s PHE 54 Ca 0.00 0.19 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 1a73 s PHE 54 Cb 0.00 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 1a73 s PHE 54 CO 0.00 0.41 0.14 0.00 -0.10 0.00 0.00 175.22 175.68 1a73 s ALA 55 N -0.54 -0.34 -0.14 5.36 0.00 -0.98 -4.53 121.76 120.58 1a73 s ALA 55 Ca 0.10 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 1a73 s ALA 55 Cb -0.12 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1a73 s ALA 55 CO 0.02 -0.17 0.53 0.21 0.00 0.00 0.00 175.76 176.35 1a73 s LYS 56 N -0.98 4.30 0.00 0.00 2.20 -1.26 -1.18 119.74 122.82 1a73 s LYS 56 Ca -0.11 0.51 0.12 0.00 -0.36 0.00 0.00 55.97 56.14 1a73 s LYS 56 Cb -0.06 -3.49 0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1a73 s LYS 56 CO 0.01 0.02 0.82 0.27 -0.36 0.00 0.00 175.35 176.11 1a73 n ASN 57 N 4.12 1.77 -3.63 1.43 6.94 -0.55 -4.97 115.26 120.38 1a73 n ASN 57 Ca -0.05 -1.39 -0.06 0.00 -0.02 0.00 0.00 54.58 53.06 1a73 n ASN 57 Cb 0.51 0.16 -0.02 0.00 -2.36 0.00 0.00 39.78 38.08 1a73 n ASN 57 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1a73 s GLY 58 N -1.19 -0.35 0.31 4.83 0.00 -0.97 -4.92 107.32 105.03 1a73 s GLY 58 Ca 0.13 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.34 1a73 s GLY 58 CO 0.20 0.14 1.58 -2.55 0.00 0.00 0.00 173.10 172.47 1a73 h PRO 59 N 2.00 0.03 -0.74 2.90 0.11 -2.03 -2.01 132.00 132.26 1a73 h PRO 59 Ca -0.24 -0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.52 1a73 h PRO 59 Cb 1.24 -0.01 -0.41 0.00 0.11 0.00 0.00 31.00 31.94 1a73 h PRO 59 CO 0.29 0.02 -1.07 0.25 -0.21 0.00 0.00 178.00 177.27 1a73 n THR 60 N -5.44 1.44 -4.44 -1.15 -2.24 -1.26 -5.05 114.28 96.14 1a73 n THR 60 Ca 0.23 -3.30 -0.21 0.00 -2.27 0.00 0.00 64.05 58.50 1a73 n THR 60 Cb 0.77 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 69.42 1a73 n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a73 s ARG 61 N -3.55 1.01 0.09 -0.78 1.81 -0.76 -4.97 118.95 111.80 1a73 s ARG 61 Ca 0.32 -0.34 -0.00 0.00 -1.72 0.00 0.00 55.73 53.98 1a73 s ARG 61 Cb 0.38 -0.94 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 1a73 s ARG 61 CO -0.02 0.15 -0.02 -1.58 -0.68 0.00 0.00 175.30 173.15 1a73 s TRP 62 N 0.09 0.76 0.11 -0.53 0.51 -1.26 -1.48 118.94 117.14 1a73 s TRP 62 Ca -0.02 -1.07 0.05 0.00 -2.12 0.00 0.00 56.10 52.94 1a73 s TRP 62 Cb -0.08 -0.47 -0.04 0.00 -0.81 0.00 0.00 33.47 32.07 1a73 s TRP 62 CO 0.00 -0.34 -0.12 -0.65 -0.51 0.00 0.00 176.95 175.34 1a73 s GLN 63 N -3.93 0.93 -0.12 4.98 -0.21 -0.32 -0.89 119.66 120.09 1a73 s GLN 63 Ca 0.14 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.34 1a73 s GLN 63 Cb 0.07 -0.69 -0.01 0.00 1.00 0.00 0.00 33.01 33.38 1a73 s GLN 63 CO -0.05 0.12 -0.18 -0.47 -2.12 0.00 0.00 175.29 172.59 1a73 s TYR 64 N -2.33 2.70 -0.03 0.91 5.04 0.79 -2.33 117.35 122.10 1a73 s TYR 64 Ca 0.07 -0.85 0.04 0.00 -2.44 0.00 0.00 57.07 53.89 1a73 s TYR 64 Cb -0.04 -1.79 -0.00 0.00 0.35 0.00 0.00 41.96 40.48 1a73 s TYR 64 CO 0.01 -0.32 -0.15 0.21 -1.34 0.00 0.00 175.55 173.96 1a73 s LYS 65 N 0.38 1.46 -0.01 4.97 2.20 -0.03 -0.79 119.74 127.92 1a73 s LYS 65 Ca -0.14 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1a73 s LYS 65 Cb -0.17 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 1a73 s LYS 65 CO 0.07 0.23 -0.02 1.03 -0.36 0.00 0.00 175.35 176.30 1a73 s ARG 66 N -0.02 0.22 -0.26 4.03 1.81 -0.13 -4.62 118.95 119.97 1a73 s ARG 66 Ca -0.01 -0.06 -0.08 0.00 -1.72 0.00 0.00 55.73 53.86 1a73 s ARG 66 Cb -0.09 -0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.13 1a73 s ARG 66 CO 0.01 0.02 0.09 0.99 -0.68 0.00 0.00 175.30 175.73 1a73 s THR 67 N 0.14 4.48 -0.17 0.02 2.01 -1.26 -0.46 115.64 120.41 1a73 s THR 67 Ca -0.01 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1a73 s THR 67 Cb -0.03 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1a73 s THR 67 CO -0.00 0.31 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.45 1a73 s ILE 68 N 1.64 1.77 -1.38 1.82 1.09 -0.34 -4.71 121.20 121.09 1a73 s ILE 68 Ca 0.06 -0.79 -0.06 0.00 -1.10 0.00 0.00 60.65 58.76 1a73 s ILE 68 Cb -0.15 -1.65 0.03 0.00 -1.06 0.00 0.00 42.46 39.63 1a73 s ILE 68 CO 0.05 0.47 0.94 0.59 -0.10 0.00 0.00 174.94 176.89 1a73 n ASN 69 N 4.70 -3.61 0.00 3.58 3.02 -1.26 -1.87 115.26 119.83 1a73 n ASN 69 Ca -0.18 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1a73 n ASN 69 Cb 0.50 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 1a73 n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a73 n GLN 70 N -4.55 0.00 -4.31 3.52 6.02 -1.26 -5.00 117.38 111.81 1a73 n GLN 70 Ca -0.12 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.53 1a73 n GLN 70 Cb 0.60 -2.69 -0.11 0.00 1.02 0.00 0.00 30.24 29.05 1a73 n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1a73 s VAL 71 N -2.77 4.12 0.05 5.09 0.11 -0.78 -5.08 120.40 121.15 1a73 s VAL 71 Ca 0.00 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.47 1a73 s VAL 71 Cb 0.00 -2.82 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 1a73 s VAL 71 CO 0.00 0.49 1.03 -0.69 -3.33 0.00 0.00 175.10 172.60 1a73 s VAL 72 N 0.32 4.54 -0.02 2.04 1.01 -1.26 -1.20 120.40 125.82 1a73 s VAL 72 Ca -0.02 1.91 0.07 0.00 0.00 0.00 0.00 61.98 63.94 1a73 s VAL 72 Cb -0.14 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1a73 s VAL 72 CO 0.02 0.20 -0.22 -1.00 0.00 0.00 0.00 175.10 174.10 1a73 s HIS 73 N 0.67 2.03 0.00 5.22 3.76 0.39 -4.98 115.29 122.39 1a73 s HIS 73 Ca 0.52 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1a73 s HIS 73 Cb -0.24 -1.31 -0.00 0.00 1.11 0.00 0.00 32.58 32.13 1a73 s HIS 73 CO 0.29 -0.06 -0.02 0.50 -0.85 0.00 0.00 174.74 174.61 1a73 s ARG 74 N -0.46 0.13 0.07 1.40 3.52 -1.26 -0.96 118.95 121.39 1a73 s ARG 74 Ca 0.07 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1a73 s ARG 74 Cb -0.09 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 1a73 s ARG 74 CO -0.00 0.02 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.86 1a73 s TRP 75 N -0.18 0.75 0.43 5.12 0.51 0.03 -4.97 118.94 120.63 1a73 s TRP 75 Ca -0.01 -0.74 -0.26 0.00 -2.12 0.00 0.00 56.10 52.97 1a73 s TRP 75 Cb -0.02 -0.45 -0.09 0.00 -0.81 0.00 0.00 33.47 32.11 1a73 s TRP 75 CO -0.00 -0.14 1.44 0.20 -0.51 0.00 0.00 176.95 177.93 1a73 s GLY 76 N -2.37 2.93 0.54 0.98 0.00 -1.26 -0.15 107.32 107.99 1a73 s GLY 76 Ca 0.01 1.48 0.22 0.00 0.00 0.00 0.00 44.72 46.43 1a73 s GLY 76 CO -0.03 2.11 2.13 1.48 0.00 0.00 0.00 173.10 178.79 1a73 h SER 77 N 2.53 0.00 0.13 1.64 4.64 -1.30 -2.02 113.55 119.17 1a73 h SER 77 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1a73 h SER 77 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1a73 h SER 77 CO 0.62 0.00 -0.35 1.41 -0.87 0.00 0.00 176.83 177.64 1a73 n HIS 78 N -4.31 0.00 0.56 4.77 8.25 -1.26 -4.29 115.22 118.93 1a73 n HIS 78 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1a73 n HIS 78 Cb 0.22 -0.07 0.25 0.00 1.12 0.00 0.00 29.99 31.51 1a73 n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a73 h THR 79 N 1.70 0.00 -0.74 1.59 1.35 -1.72 -3.39 112.91 111.69 1a73 h THR 79 Ca 0.00 -0.53 0.07 0.00 -0.55 0.00 0.00 66.41 65.40 1a73 h THR 79 Cb 0.61 1.28 -0.06 0.00 -1.73 0.00 0.00 68.15 68.25 1a73 h THR 79 CO 0.00 0.00 0.42 0.58 -0.25 0.00 0.00 175.52 176.27 1a73 h VAL 80 N 0.00 0.95 -0.16 6.82 2.07 -1.75 -2.05 116.25 122.13 1a73 h VAL 80 Ca 0.00 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1a73 h VAL 80 Cb 0.76 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1a73 h VAL 80 CO 0.00 0.14 0.20 -0.65 0.02 0.00 0.00 177.57 177.28 1a73 h PRO 81 N 0.75 0.00 -0.49 1.57 0.11 -1.91 -2.64 132.00 129.38 1a73 h PRO 81 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1a73 h PRO 81 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1a73 h PRO 81 CO -0.21 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.77 1a73 n PHE 82 N -3.70 1.59 0.31 0.65 3.72 -0.77 -4.60 117.46 114.67 1a73 n PHE 82 Ca 0.01 -0.74 0.20 0.00 -0.05 0.00 0.00 57.45 56.87 1a73 n PHE 82 Cb 0.32 -0.39 1.00 0.00 -0.94 0.00 0.00 39.48 39.47 1a73 n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a73 h LEU 83 N 3.32 0.00 -2.72 4.37 4.07 -1.52 -1.74 115.31 121.10 1a73 h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a73 h LEU 83 Cb 1.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.43 1a73 h LEU 83 CO 0.35 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.89 1a73 n LEU 84 N -3.04 3.79 -4.85 1.67 7.99 -1.26 -4.98 117.00 116.33 1a73 n LEU 84 Ca -0.02 -1.94 -0.22 0.00 -0.01 0.00 0.00 56.01 53.83 1a73 n LEU 84 Cb 0.16 -0.44 -0.04 0.00 -0.11 0.00 0.00 43.42 42.99 1a73 n LEU 84 CO 0.22 0.94 -0.14 -1.61 -1.51 0.00 0.00 177.39 175.29 1a73 s GLU 85 N -1.05 2.97 0.55 3.23 0.41 -0.65 -5.08 118.70 119.08 1a73 s GLU 85 Ca 0.45 -1.04 -0.21 0.00 -0.41 0.00 0.00 54.97 53.76 1a73 s GLU 85 Cb 0.24 -2.60 -0.06 0.00 -1.78 0.00 0.00 34.13 29.93 1a73 s GLU 85 CO 0.31 0.37 1.19 -2.30 -0.49 0.00 0.00 175.26 174.34 1a73 n PRO 86 N -1.23 1.38 -0.23 0.39 -0.02 -1.26 -4.91 135.00 129.12 1a73 n PRO 86 Ca -0.07 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1a73 n PRO 86 Cb 0.58 -2.37 0.23 0.00 -0.02 0.00 0.00 33.50 31.92 1a73 n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1a73 n ASP 87 N -0.72 3.45 -3.78 2.55 5.75 -1.26 -4.91 116.55 117.62 1a73 n ASP 87 Ca 0.11 -1.96 -0.10 0.00 -0.01 0.00 0.00 54.79 52.83 1a73 n ASP 87 Cb 0.45 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.19 1a73 n ASP 87 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a73 s ASN 88 N -1.25 -0.14 -0.25 -1.12 2.20 -1.26 -1.08 114.94 112.04 1a73 s ASN 88 Ca 0.38 -0.55 -0.19 0.00 -0.94 0.00 0.00 52.86 51.55 1a73 s ASN 88 Cb 0.21 0.49 0.07 0.00 -2.00 0.00 0.00 41.25 40.02 1a73 s ASN 88 CO 0.29 -0.93 0.64 -0.51 -2.94 0.00 0.00 177.10 173.65 1a73 s ILE 89 N -3.88 -0.00 -1.42 0.54 1.10 0.39 -4.86 121.20 113.06 1a73 s ILE 89 Ca 0.09 0.01 -0.10 0.00 -0.51 0.00 0.00 60.65 60.14 1a73 s ILE 89 Cb 0.01 -0.90 0.06 0.00 0.15 0.00 0.00 42.46 41.78 1a73 s ILE 89 CO -0.05 0.00 0.66 0.59 -2.11 0.00 0.00 174.94 174.03 1a73 n ASN 90 N 3.38 -4.60 -0.29 4.50 5.03 -1.26 0.07 115.26 122.10 1a73 n ASN 90 Ca -0.17 -0.48 -0.04 0.00 0.87 0.00 0.00 54.58 54.76 1a73 n ASN 90 Cb 0.57 -3.73 -0.02 0.00 -1.02 0.00 0.00 39.78 35.58 1a73 n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a73 n GLY 91 N -1.41 0.60 3.43 7.41 0.00 -1.26 -5.00 105.19 108.97 1a73 n GLY 91 Ca -0.02 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1a73 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a73 s LYS 92 N -1.67 2.25 0.26 1.61 1.02 0.11 -5.10 119.74 118.22 1a73 s LYS 92 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 1a73 s LYS 92 Cb 0.00 -2.23 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1a73 s LYS 92 CO 0.00 0.58 1.30 -0.08 -0.92 0.00 0.00 175.35 176.23 1a73 s THR 93 N -0.78 3.02 0.27 2.17 -1.32 -1.26 -0.47 115.64 117.28 1a73 s THR 93 Ca 0.12 0.92 -0.29 0.00 -1.21 0.00 0.00 61.69 61.23 1a73 s THR 93 Cb -0.10 -3.58 -0.09 0.00 -1.51 0.00 0.00 72.50 67.21 1a73 s THR 93 CO 0.02 0.17 0.96 0.00 -2.21 0.00 0.00 174.62 173.57 1a73 s THR 95 N -1.31 0.89 -0.32 0.00 -4.23 0.18 -4.87 115.64 105.98 1a73 s THR 95 Ca 0.44 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 1a73 s THR 95 Cb -0.25 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.12 1a73 s THR 95 CO 0.31 -0.66 1.18 0.00 -0.54 0.00 0.00 174.62 174.90 1a73 s ALA 96 N -2.84 3.42 -0.23 3.99 0.00 -1.26 -1.78 121.76 123.06 1a73 s ALA 96 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 1a73 s ALA 96 Cb -0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1a73 s ALA 96 CO -0.01 -1.66 0.01 0.45 0.00 0.00 0.00 175.76 174.55 1a73 s SER 97 N 2.19 4.72 -0.51 0.00 0.15 -0.07 -4.95 113.70 115.22 1a73 s SER 97 Ca 0.50 -0.28 -0.28 0.00 0.70 0.00 0.00 55.95 56.59 1a73 s SER 97 Cb -0.14 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1a73 s SER 97 CO 0.20 -0.01 1.13 -1.00 1.20 0.00 0.00 173.24 174.76 1a73 s HIS 98 N 1.42 2.76 0.29 3.44 3.76 -1.26 -1.20 115.29 124.49 1a73 s HIS 98 Ca 0.05 0.56 0.37 0.00 -0.15 0.00 0.00 55.06 55.89 1a73 s HIS 98 Cb -0.15 -4.41 1.72 0.00 1.11 0.00 0.00 32.58 30.86 1a73 s HIS 98 CO 0.00 -1.36 2.11 -0.07 -0.85 0.00 0.00 174.74 174.58 1a73 h LEU 99 N 11.38 0.00 -0.59 0.89 4.07 -0.35 -1.88 115.31 128.83 1a73 h LEU 99 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1a73 h LEU 99 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1a73 h LEU 99 CO 1.14 0.00 -0.49 0.00 -1.08 0.00 0.00 178.44 178.01 1a73 n HIS 101 N -0.58 -1.40 -3.99 0.00 8.25 -0.71 -4.94 115.22 111.84 1a73 n HIS 101 Ca 0.09 0.11 -0.31 0.00 -0.26 0.00 0.00 57.72 57.35 1a73 n HIS 101 Cb 0.40 -3.32 -0.15 0.00 1.12 0.00 0.00 29.99 28.04 1a73 n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a73 s ASN 102 N -2.19 4.75 0.23 0.41 2.47 -1.26 -5.02 114.94 114.34 1a73 s ASN 102 Ca 0.08 -2.25 -0.07 0.00 0.42 0.00 0.00 52.86 51.03 1a73 s ASN 102 Cb -0.04 -1.65 0.37 0.00 -1.45 0.00 0.00 41.25 38.49 1a73 s ASN 102 CO 0.10 -0.37 1.71 0.74 -3.72 0.00 0.00 177.10 175.55 1a73 h THR 103 N 6.46 0.64 0.00 -5.21 2.02 -1.98 -1.21 112.91 113.62 1a73 h THR 103 Ca -0.05 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1a73 h THR 103 Cb 1.01 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1a73 h THR 103 CO 0.55 0.06 0.00 0.03 0.37 0.00 0.00 175.52 176.53 1a73 h ARG 104 N 0.34 0.00 -6.74 6.66 3.08 -1.93 -3.44 114.38 112.35 1a73 h ARG 104 Ca 0.36 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.89 1a73 h ARG 104 Cb 0.55 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.64 1a73 h ARG 104 CO -0.41 0.00 0.66 0.00 -1.07 0.00 0.00 179.97 179.14 1a73 n HIS 106 N 2.09 0.00 -1.97 0.00 8.25 0.15 -4.95 115.22 118.79 1a73 n HIS 106 Ca 0.04 -0.75 -0.43 0.00 -0.26 0.00 0.00 57.72 56.32 1a73 n HIS 106 Cb 0.42 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 1a73 n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a73 s ASN 107 N -2.27 6.22 0.51 0.41 3.84 -1.26 -4.87 114.94 117.53 1a73 s ASN 107 Ca 0.22 1.79 0.35 0.00 0.21 0.00 0.00 52.86 55.43 1a73 s ASN 107 Cb 0.19 -2.53 1.79 0.00 -0.55 0.00 0.00 41.25 40.16 1a73 s ASN 107 CO 0.02 -1.36 2.05 1.55 -2.79 0.00 0.00 177.10 176.58 1a73 h PRO 108 N 11.48 0.00 0.00 0.43 0.13 -1.95 0.11 132.00 142.19 1a73 h PRO 108 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1a73 h PRO 108 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a73 h PRO 108 CO 0.99 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.04 1a73 n LEU 109 N -2.77 0.00 -0.44 1.56 4.77 -1.26 -2.92 117.00 115.94 1a73 n LEU 109 Ca -0.02 0.19 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1a73 n LEU 109 Cb 0.11 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1a73 n LEU 109 CO 0.18 -0.00 0.55 1.41 -1.33 0.00 0.00 177.39 178.20 1a73 n HIS 110 N -1.19 0.27 -4.38 -1.77 8.25 0.39 -5.00 115.22 111.79 1a73 n HIS 110 Ca 0.17 -0.40 -0.28 0.00 -0.26 0.00 0.00 57.72 56.96 1a73 n HIS 110 Cb 0.19 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.15 1a73 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a73 s LEU 111 N -0.94 2.34 0.21 2.41 1.43 -1.15 0.46 118.68 123.44 1a73 s LEU 111 Ca 0.16 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1a73 s LEU 111 Cb 0.08 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1a73 s LEU 111 CO 0.11 0.15 0.11 0.00 0.23 0.00 0.00 176.35 176.95 1a73 s TRP 113 N -4.02 3.07 0.30 0.00 -0.00 -1.26 -0.90 118.94 116.13 1a73 s TRP 113 Ca 0.37 -2.21 -0.15 0.00 -0.00 0.00 0.00 56.10 54.11 1a73 s TRP 113 Cb 0.07 -1.87 0.02 0.00 -0.00 0.00 0.00 33.47 31.69 1a73 s TRP 113 CO 0.11 -0.86 0.63 -1.83 -0.00 0.00 0.00 176.95 175.01 1a73 s GLU 114 N 1.17 1.83 0.83 5.86 -1.05 -0.74 -4.85 118.70 121.75 1a73 s GLU 114 Ca -0.08 -1.26 -0.13 0.00 -0.15 0.00 0.00 54.97 53.35 1a73 s GLU 114 Cb -0.20 0.55 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1a73 s GLU 114 CO -0.05 -0.81 1.11 -1.13 0.95 0.00 0.00 175.26 175.33 1a73 n SER 115 N -0.76 0.65 0.03 0.83 3.41 -1.26 0.47 113.62 116.99 1a73 n SER 115 Ca -0.04 0.55 0.03 0.00 -0.26 0.00 0.00 58.87 59.16 1a73 n SER 115 Cb 0.60 -1.47 0.41 0.00 -0.26 0.00 0.00 64.21 63.49 1a73 n SER 115 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1a73 h LEU 116 N -1.05 0.41 -0.33 1.04 5.85 -1.93 0.11 115.31 119.42 1a73 h LEU 116 Ca -0.46 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1a73 h LEU 116 Cb 1.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1a73 h LEU 116 CO 0.44 0.36 0.01 0.44 -0.34 0.00 0.00 178.44 179.36 1a73 h ASP 117 N 0.47 0.57 -0.45 1.25 3.32 -1.94 0.15 116.42 119.78 1a73 h ASP 117 Ca 0.12 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1a73 h ASP 117 Cb 0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1a73 h ASP 117 CO -0.02 0.73 0.18 0.44 -1.72 0.00 0.00 179.24 178.85 1a73 h ASP 118 N 0.39 0.62 0.28 6.45 3.32 -1.79 -1.31 116.42 124.39 1a73 h ASP 118 Ca 0.10 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1a73 h ASP 118 Cb 0.43 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1a73 h ASP 118 CO 0.01 0.62 -0.51 -1.13 -1.72 0.00 0.00 179.24 176.52 1a73 h ASN 119 N 0.59 -1.48 -0.63 6.45 -0.73 -0.54 -2.87 115.58 116.36 1a73 h ASN 119 Ca 0.15 0.14 0.02 0.00 1.87 0.00 0.00 56.30 58.49 1a73 h ASN 119 Cb 0.20 0.53 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 1a73 h ASN 119 CO -0.01 -0.60 0.39 0.11 -0.37 0.00 0.00 177.43 176.95 1a73 h LYS 120 N -0.85 0.76 -0.69 6.67 1.57 -0.63 -2.87 116.57 120.53 1a73 h LYS 120 Ca -0.03 -0.05 0.20 0.00 -1.87 0.00 0.00 60.65 58.91 1a73 h LYS 120 Cb 0.80 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1a73 h LYS 120 CO -0.19 0.50 0.59 0.78 -0.57 0.00 0.00 179.45 180.56 1a73 h GLY 121 N 0.78 0.00 2.00 3.86 0.00 -1.01 0.33 103.07 109.03 1a73 h GLY 121 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1a73 h GLY 121 CO -0.09 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.66 1a73 h ARG 122 N 0.00 0.00 0.00 4.80 3.08 -1.43 -2.30 114.38 118.52 1a73 h ARG 122 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 1a73 h ARG 122 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.56 1a73 h ARG 122 CO -0.00 0.00 -0.04 -0.91 -1.07 0.00 0.00 179.97 177.94 1a73 h ASN 123 N 0.00 0.00 -0.28 7.04 2.35 -1.12 -2.60 115.58 120.97 1a73 h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a73 h ASN 123 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1a73 h ASN 123 CO 0.00 0.04 0.00 0.79 -1.65 0.00 0.00 177.43 176.61 1a73 n TRP 124 N -4.01 0.37 -2.17 1.19 8.01 -0.87 -0.95 117.44 119.01 1a73 n TRP 124 Ca -0.03 -0.33 -0.41 0.00 -1.31 0.00 0.00 57.50 55.42 1a73 n TRP 124 Cb 0.13 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.31 29.39 1a73 n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a73 n PRO 126 N 0.97 0.18 0.00 0.00 -0.04 -1.26 -0.17 135.00 134.68 1a73 n PRO 126 Ca 0.00 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1a73 n PRO 126 Cb 0.42 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1a73 n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a73 n GLY 127 N -0.45 1.94 0.21 0.55 0.00 -1.26 -3.89 105.19 102.30 1a73 n GLY 127 Ca 0.01 -2.01 0.15 0.00 0.00 0.00 0.00 46.02 44.17 1a73 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a73 h PRO 128 N 0.00 0.00 -0.07 1.61 0.13 -1.67 -0.40 132.00 131.60 1a73 h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a73 h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a73 h PRO 128 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1a73 n ASN 129 N -2.59 1.84 -0.05 1.44 3.02 -0.27 -4.61 115.26 114.03 1a73 n ASN 129 Ca -0.00 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1a73 n ASN 129 Cb 0.16 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1a73 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a73 n GLY 130 N 0.18 1.71 0.00 7.41 0.00 -0.92 -3.23 105.19 110.34 1a73 n GLY 130 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1a73 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a73 n GLY 131 N -0.28 1.61 3.66 -0.02 0.00 -1.14 -4.75 105.19 104.28 1a73 n GLY 131 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 1a73 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a73 n VAL 133 N 2.88 0.50 -1.78 0.00 0.24 -1.26 -4.95 118.33 113.95 1a73 n VAL 133 Ca 0.16 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1a73 n VAL 133 Cb 0.28 0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1a73 n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1a73 s HIS 134 N -0.77 2.92 0.32 6.34 3.76 -1.26 -4.88 115.29 121.72 1a73 s HIS 134 Ca 0.11 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.48 1a73 s HIS 134 Cb 0.06 -4.09 0.55 0.00 1.11 0.00 0.00 32.58 30.21 1a73 s HIS 134 CO 0.09 -4.04 1.96 0.00 -0.85 0.00 0.00 174.74 171.89 1a73 h ALA 135 N 6.53 1.51 -2.35 -1.40 0.00 -2.05 -3.05 119.26 118.45 1a73 h ALA 135 Ca -0.43 -0.04 -0.76 0.00 0.00 0.00 0.00 54.91 53.68 1a73 h ALA 135 Cb 1.20 -0.28 -0.26 0.00 0.00 0.00 0.00 17.79 18.46 1a73 h ALA 135 CO 0.93 0.41 -0.21 0.08 0.00 0.00 0.00 179.25 180.46 1a73 s VAL 136 N -5.85 5.04 0.52 0.00 1.01 -1.26 -5.04 120.40 114.82 1a73 s VAL 136 Ca -0.11 -1.76 -0.21 0.00 0.00 0.00 0.00 61.98 59.90 1a73 s VAL 136 Cb 0.19 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1a73 s VAL 136 CO 0.79 -0.88 1.08 0.55 0.00 0.00 0.00 175.10 176.64 1a73 n VAL 137 N 4.92 3.24 -2.17 2.92 3.14 -1.15 -5.00 118.33 124.23 1a73 n VAL 137 Ca -0.08 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.46 1a73 n VAL 137 Cb 0.41 -1.30 0.01 0.00 -1.06 0.00 0.00 33.84 31.90 1a73 n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a73 n LEU 139 N -1.61 0.75 -3.89 0.00 4.77 -1.26 -4.21 117.00 111.57 1a73 n LEU 139 Ca 0.10 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1a73 n LEU 139 Cb 0.52 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1a73 n LEU 139 CO 0.44 -0.13 0.41 0.00 -1.33 0.00 0.00 177.39 176.78 1a73 s ARG 140 N -3.32 1.94 0.21 3.23 1.70 -1.26 -4.82 118.95 116.63 1a73 s ARG 140 Ca 0.01 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.68 1a73 s ARG 140 Cb 0.11 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.99 1a73 s ARG 140 CO 0.78 -0.88 1.03 -1.14 -1.08 0.00 0.00 175.30 174.02 1a73 s GLN 141 N -3.21 4.69 0.40 3.89 0.74 0.02 -4.24 119.66 121.95 1a73 s GLN 141 Ca 0.17 1.63 -0.27 0.00 0.05 0.00 0.00 55.36 56.94 1a73 s GLN 141 Cb -0.04 -3.27 -0.10 0.00 1.10 0.00 0.00 33.01 30.69 1a73 s GLN 141 CO 0.11 0.25 1.39 0.41 -0.55 0.00 0.00 175.29 176.89 1a73 n GLY 142 N 1.73 0.88 0.32 2.59 0.00 0.76 -4.85 105.19 106.62 1a73 n GLY 142 Ca 0.00 0.25 0.19 0.00 0.00 0.00 0.00 46.02 46.47 1a73 n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a73 h PRO 143 N 2.51 0.00 -0.03 1.61 0.11 -1.79 -2.38 132.00 132.03 1a73 h PRO 143 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a73 h PRO 143 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1a73 h PRO 143 CO 0.62 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.69 1a73 n LEU 144 N -3.47 2.76 -4.75 2.35 4.32 -0.12 -4.99 117.00 113.10 1a73 n LEU 144 Ca -0.03 -1.00 -0.36 0.00 -0.02 0.00 0.00 56.01 54.59 1a73 n LEU 144 Cb 0.10 -0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.93 1a73 n LEU 144 CO 0.24 0.47 0.86 -0.47 -1.22 0.00 0.00 177.39 177.27 1a73 s TYR 145 N -1.76 2.43 -4.96 -1.77 5.04 -0.90 -4.81 117.35 110.63 1a73 s TYR 145 Ca 0.25 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 1a73 s TYR 145 Cb 0.18 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.96 1a73 s TYR 145 CO 0.26 -2.24 0.00 0.41 -1.34 0.00 0.00 175.55 172.64 1a73 n GLY 146 N 0.54 1.02 0.30 8.97 0.00 -1.26 -4.89 105.19 109.87 1a73 n GLY 146 Ca 0.12 -1.94 0.18 0.00 0.00 0.00 0.00 46.02 44.38 1a73 n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a73 h PRO 147 N 6.78 0.00 0.00 1.61 0.11 -2.04 -3.49 132.00 134.97 1a73 h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a73 h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1a73 h PRO 147 CO 0.00 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.24 1a73 n GLY 148 N -0.74 -2.36 2.26 -0.55 0.00 -1.26 -4.75 105.19 97.79 1a73 n GLY 148 Ca -0.02 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 1a73 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a73 n ALA 149 N -0.50 2.27 -2.15 4.61 0.00 -1.26 -5.10 120.51 118.37 1a73 n ALA 149 Ca 0.00 -3.53 -0.42 0.00 0.00 0.00 0.00 53.44 49.49 1a73 n ALA 149 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1a73 n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a73 s THR 150 N -2.63 3.50 0.00 0.00 2.01 -1.26 -4.94 115.64 112.33 1a73 s THR 150 Ca 0.41 0.94 -0.20 0.00 0.31 0.00 0.00 61.69 63.14 1a73 s THR 150 Cb 0.34 -3.60 -0.21 0.00 0.01 0.00 0.00 72.50 69.03 1a73 s THR 150 CO -0.09 0.01 1.13 0.58 -0.69 0.00 0.00 174.62 175.56 1a73 h VAL 151 N 4.79 1.43 -3.47 3.82 2.07 -2.03 -3.46 116.25 119.41 1a73 h VAL 151 Ca -0.39 -1.93 -0.22 0.00 0.82 0.00 0.00 66.70 64.98 1a73 h VAL 151 Cb 1.19 2.49 -0.28 0.00 -1.52 0.00 0.00 31.29 33.16 1a73 h VAL 151 CO 0.90 0.56 -0.62 0.00 0.02 0.00 0.00 177.57 178.43 1a73 s ALA 152 N -3.39 -0.21 0.40 1.67 0.00 -1.26 -5.17 121.76 113.81 1a73 s ALA 152 Ca -0.14 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1a73 s ALA 152 Cb 0.03 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1a73 s ALA 152 CO 0.80 -0.06 0.44 0.41 0.00 0.00 0.00 175.76 177.35 1a73 n GLY 153 N 3.28 1.43 3.76 0.00 0.00 -1.26 -5.04 105.19 107.37 1a73 n GLY 153 Ca -0.15 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 1a73 n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a73 n PRO 154 N -1.75 2.73 -3.53 1.61 -0.04 -1.26 -4.98 135.00 127.78 1a73 n PRO 154 Ca 0.08 0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 64.41 1a73 n PRO 154 Cb 0.30 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 30.99 1a73 n PRO 154 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1a73 s GLN 155 N -1.27 0.75 0.01 0.54 -2.07 -1.26 -5.18 119.66 111.18 1a73 s GLN 155 Ca 0.59 -0.10 -0.01 0.00 -1.82 0.00 0.00 55.36 54.02 1a73 s GLN 155 Cb -0.48 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 31.78 1a73 s GLN 155 CO 0.56 -0.29 0.02 1.14 -1.32 0.00 0.00 175.29 175.39 1a73 s GLN 156 N -2.24 0.25 0.06 9.60 -2.07 -1.26 -5.06 119.66 118.94 1a73 s GLN 156 Ca 0.01 -0.37 0.04 0.00 -1.82 0.00 0.00 55.36 53.23 1a73 s GLN 156 Cb -0.01 0.10 -0.24 0.00 -1.09 0.00 0.00 33.01 31.77 1a73 s GLN 156 CO -0.04 -0.05 1.06 0.00 -1.32 0.00 0.00 175.29 174.94 1a73 h ARG 157 N 5.05 0.09 0.00 9.60 3.08 -2.03 -3.47 114.38 126.70 1a73 h ARG 157 Ca -0.29 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1a73 h ARG 157 Cb 1.21 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1a73 h ARG 157 CO 0.43 0.97 0.00 0.41 -1.07 0.00 0.00 179.97 180.71 1a73 n GLY 158 N 1.48 3.31 1.75 0.04 0.00 -1.26 -5.07 105.19 105.45 1a73 n GLY 158 Ca -0.08 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.27 1a73 n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a73 n SER 159 N 0.00 1.21 0.14 1.61 3.41 -1.26 -4.85 113.62 113.88 1a73 n SER 159 Ca 0.00 -2.11 0.13 0.00 -0.26 0.00 0.00 58.87 56.63 1a73 n SER 159 Cb 0.00 -0.35 0.42 0.00 -0.26 0.00 0.00 64.21 64.02 1a73 n SER 159 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1a73 h HIS 160 N 1.36 0.00 -2.25 7.33 3.86 -1.99 -3.46 115.15 120.00 1a73 h HIS 160 Ca -0.19 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.41 1a73 h HIS 160 Cb 1.72 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 30.05 1a73 h HIS 160 CO 0.28 0.00 -0.76 -0.06 0.86 0.00 0.00 177.93 178.26 1a73 s PHE 161 N -3.23 2.31 0.01 2.45 0.08 -1.26 -5.13 117.98 113.21 1a73 s PHE 161 Ca 0.08 -0.33 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 1a73 s PHE 161 Cb 0.10 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1a73 s PHE 161 CO 0.55 0.71 -0.01 0.54 -0.10 0.00 0.00 175.22 176.90 1a73 s VAL 162 N -2.46 0.05 -2.00 -0.44 0.11 -1.26 -5.13 120.40 109.27 1a73 s VAL 162 Ca 0.30 -0.44 0.17 0.00 -2.93 0.00 0.00 61.98 59.08 1a73 s VAL 162 Cb -0.05 -0.14 0.49 0.00 -1.53 0.00 0.00 36.38 35.15 1a73 s VAL 162 CO 0.15 -0.24 1.44 1.33 -3.33 0.00 0.00 175.10 174.45