#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a74 n LEU 3 N 0.00 2.20 -4.89 0.00 4.32 -1.26 -4.93 117.00 112.45 1a74 n LEU 3 Ca 0.00 0.02 -0.29 0.00 -0.02 0.00 0.00 56.01 55.71 1a74 n LEU 3 Cb 0.00 -0.40 0.01 0.00 -1.62 0.00 0.00 43.42 41.40 1a74 n LEU 3 CO 0.00 0.54 0.60 0.42 -1.22 0.00 0.00 177.39 177.73 1a74 s THR 4 N -2.24 4.78 0.24 -5.08 -4.23 -1.26 -4.94 115.64 102.92 1a74 s THR 4 Ca -0.17 0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.87 1a74 s THR 4 Cb 0.05 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.21 1a74 s THR 4 CO 0.26 -1.02 1.84 -1.13 -0.54 0.00 0.00 174.62 174.03 1a74 h ASN 5 N -0.09 1.03 0.36 3.99 -1.24 -1.99 -0.71 115.58 116.93 1a74 h ASN 5 Ca -0.45 -0.13 -0.13 0.00 0.71 0.00 0.00 56.30 56.30 1a74 h ASN 5 Cb 1.20 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1a74 h ASN 5 CO 0.62 0.88 -0.53 0.00 -1.29 0.00 0.00 177.43 177.11 1a74 h ALA 6 N 1.28 0.99 -0.01 1.57 0.00 -1.99 -1.52 119.26 119.58 1a74 h ALA 6 Ca 0.27 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1a74 h ALA 6 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a74 h ALA 6 CO -0.03 0.67 -0.74 1.96 0.00 0.00 0.00 179.25 181.11 1a74 h GLN 7 N 0.15 0.07 -0.06 0.00 4.20 -1.83 -2.48 115.11 115.15 1a74 h GLN 7 Ca 0.00 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 1a74 h GLN 7 Cb 0.98 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.79 1a74 h GLN 7 CO 0.08 0.78 -0.69 0.82 -0.67 0.00 0.00 178.83 179.15 1a74 h ILE 8 N 0.05 1.35 -0.64 2.54 1.08 -0.94 -2.87 117.51 118.08 1a74 h ILE 8 Ca -0.01 -2.01 0.02 0.00 -0.39 0.00 0.00 64.86 62.47 1a74 h ILE 8 Cb 1.31 2.31 -0.04 0.00 -3.07 0.00 0.00 36.82 37.33 1a74 h ILE 8 CO 0.10 0.61 0.41 -0.07 -0.69 0.00 0.00 178.15 178.51 1a74 h LEU 9 N 0.19 0.68 -1.65 1.44 3.38 -1.28 -1.10 115.31 116.97 1a74 h LEU 9 Ca -0.07 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1a74 h LEU 9 Cb 1.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1a74 h LEU 9 CO 0.14 0.48 0.29 0.00 0.09 0.00 0.00 178.44 179.44 1a74 h ALA 10 N 1.26 1.85 -0.25 1.53 0.00 -1.45 0.13 119.26 122.34 1a74 h ALA 10 Ca 0.25 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1a74 h ALA 10 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1a74 h ALA 10 CO -0.08 0.09 -0.62 0.28 0.00 0.00 0.00 179.25 178.92 1a74 h VAL 11 N 0.45 1.27 -0.29 0.00 2.07 -1.01 -1.90 116.25 116.84 1a74 h VAL 11 Ca 0.18 -1.81 -0.12 0.00 0.82 0.00 0.00 66.70 65.78 1a74 h VAL 11 Cb 0.17 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1a74 h VAL 11 CO -0.04 0.58 -0.30 0.40 0.02 0.00 0.00 177.57 178.23 1a74 h ILE 12 N 0.63 1.28 -0.20 4.57 2.04 -0.31 -1.76 117.51 123.76 1a74 h ILE 12 Ca -0.01 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.38 1a74 h ILE 12 Cb 1.24 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1a74 h ILE 12 CO 0.13 0.45 -0.15 0.44 0.00 0.00 0.00 178.15 179.02 1a74 h ASP 13 N 0.52 0.49 0.38 1.72 3.32 -0.69 -1.07 116.42 121.10 1a74 h ASP 13 Ca 0.06 -0.45 -0.13 0.00 0.02 0.00 0.00 57.03 56.54 1a74 h ASP 13 Cb 0.78 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1a74 h ASP 13 CO 0.06 0.83 -0.54 0.77 -1.72 0.00 0.00 179.24 178.65 1a74 h SER 14 N 0.15 0.19 -0.05 6.45 4.64 -1.34 -1.88 113.55 121.70 1a74 h SER 14 Ca 0.04 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1a74 h SER 14 Cb 0.68 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1a74 h SER 14 CO 0.04 0.69 0.01 -0.25 -0.87 0.00 0.00 176.83 176.45 1a74 h TRP 15 N 0.13 0.08 -0.79 4.77 7.01 -1.26 -2.44 115.95 123.45 1a74 h TRP 15 Ca 0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1a74 h TRP 15 Cb 0.99 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.99 1a74 h TRP 15 CO 0.01 0.27 0.52 0.93 -2.79 0.00 0.00 178.44 177.38 1a74 h GLU 16 N -0.13 1.05 0.04 2.65 5.08 -1.10 -1.24 114.58 120.93 1a74 h GLU 16 Ca 0.02 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1a74 h GLU 16 Cb 0.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a74 h GLU 16 CO -0.00 0.70 -0.12 1.49 -1.00 0.00 0.00 179.01 180.09 1a74 h GLU 17 N 1.08 -0.21 -0.13 2.33 4.57 -1.20 0.76 114.58 121.79 1a74 h GLU 17 Ca 0.29 0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.28 1a74 h GLU 17 Cb -0.11 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1a74 h GLU 17 CO -0.06 -0.14 -0.75 0.00 -1.18 0.00 0.00 179.01 176.88 1a74 h THR 18 N -0.22 1.32 -0.41 0.32 1.03 -1.34 -2.90 112.91 110.71 1a74 h THR 18 Ca 0.03 -2.04 -0.07 0.00 -0.01 0.00 0.00 66.41 64.32 1a74 h THR 18 Cb 0.25 2.02 -0.02 0.00 -1.07 0.00 0.00 68.15 69.33 1a74 h THR 18 CO -0.09 0.63 -0.03 0.58 -0.01 0.00 0.00 175.52 176.60 1a74 h VAL 19 N 0.43 1.23 0.00 0.00 2.07 -1.12 0.13 116.25 119.00 1a74 h VAL 19 Ca -0.04 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1a74 h VAL 19 Cb 1.36 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1a74 h VAL 19 CO 0.14 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.68 1a74 n GLY 20 N -0.67 -0.47 0.50 2.17 0.00 0.26 -0.68 105.19 106.30 1a74 n GLY 20 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1a74 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a74 n GLN 21 N -1.35 1.39 -2.15 1.61 1.13 0.03 -4.99 117.38 113.03 1a74 n GLN 21 Ca 0.01 -1.16 -0.38 0.00 -1.94 0.00 0.00 57.00 53.53 1a74 n GLN 21 Cb 0.03 -1.27 -0.01 0.00 0.11 0.00 0.00 30.24 29.11 1a74 n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1a74 s PHE 22 N -1.46 2.87 0.21 1.08 0.08 0.14 -4.91 117.98 115.99 1a74 s PHE 22 Ca 0.16 1.48 -0.32 0.00 0.12 0.00 0.00 56.93 58.37 1a74 s PHE 22 Cb 0.12 -3.53 -0.14 0.00 -0.57 0.00 0.00 43.02 38.90 1a74 s PHE 22 CO 0.26 -1.78 1.28 -2.30 -0.10 0.00 0.00 175.22 172.58 1a74 n PRO 23 N -0.12 1.61 -3.44 0.24 -0.02 -1.25 -4.62 135.00 127.40 1a74 n PRO 23 Ca 0.05 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.72 1a74 n PRO 23 Cb 0.46 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 1a74 n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a74 s VAL 24 N -0.16 5.21 -0.15 -1.45 1.01 -1.26 -2.18 120.40 121.41 1a74 s VAL 24 Ca 0.70 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 1a74 s VAL 24 Cb -0.74 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1a74 s VAL 24 CO 0.51 0.19 -0.13 -0.63 0.00 0.00 0.00 175.10 175.04 1a74 s ILE 25 N 1.93 2.98 -0.02 2.22 -1.09 -0.24 -4.96 121.20 122.02 1a74 s ILE 25 Ca 0.14 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 1a74 s ILE 25 Cb -0.16 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 1a74 s ILE 25 CO 0.10 0.51 0.83 -0.89 -1.23 0.00 0.00 174.94 174.26 1a74 s THR 26 N 0.63 4.92 -0.11 2.92 2.01 -1.26 -1.93 115.64 122.82 1a74 s THR 26 Ca -0.07 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.68 1a74 s THR 26 Cb -0.15 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1a74 s THR 26 CO 0.03 0.23 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.05 1a74 s HIS 27 N 0.75 1.89 -0.25 4.92 3.76 0.34 -4.98 115.29 121.73 1a74 s HIS 27 Ca 0.44 -0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 54.25 1a74 s HIS 27 Cb -0.20 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 1a74 s HIS 27 CO 0.23 -0.50 0.48 -1.01 -0.85 0.00 0.00 174.74 173.09 1a74 s HIS 28 N 1.16 3.28 0.19 1.40 3.76 -1.26 -0.18 115.29 123.64 1a74 s HIS 28 Ca -0.03 0.61 0.08 0.00 -0.15 0.00 0.00 55.06 55.57 1a74 s HIS 28 Cb -0.14 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1a74 s HIS 28 CO -0.04 -0.23 -0.16 0.14 -0.85 0.00 0.00 174.74 173.60 1a74 s VAL 29 N 2.12 1.77 0.24 -0.90 -7.23 -0.07 -4.94 120.40 111.39 1a74 s VAL 29 Ca 0.20 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1a74 s VAL 29 Cb -0.16 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 1a74 s VAL 29 CO 0.09 -0.46 1.14 -2.16 -0.31 0.00 0.00 175.10 173.40 1a74 s PRO 30 N -3.23 4.57 -0.01 4.82 0.04 -1.26 -0.61 135.00 139.32 1a74 s PRO 30 Ca 0.19 1.84 0.15 0.00 0.04 0.00 0.00 61.00 63.23 1a74 s PRO 30 Cb -0.03 -3.21 -0.20 0.00 0.04 0.00 0.00 34.50 31.09 1a74 s PRO 30 CO 0.07 0.07 0.50 1.28 0.04 0.00 0.00 177.00 178.96 1a74 n LEU 31 N 1.76 0.36 0.00 -3.56 4.77 0.10 -0.55 117.00 119.88 1a74 n LEU 31 Ca 0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1a74 n LEU 31 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1a74 n LEU 31 CO 0.55 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1a74 n GLY 32 N 1.48 1.82 2.49 -0.72 0.00 -1.24 -1.39 105.19 107.62 1a74 n GLY 32 Ca 0.00 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 1a74 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a74 n GLY 33 N 1.77 0.86 2.39 -0.02 0.00 -1.16 -1.73 105.19 107.29 1a74 n GLY 33 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1a74 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a74 n GLY 34 N -0.75 1.05 3.71 -0.02 0.00 -1.26 -5.00 105.19 102.91 1a74 n GLY 34 Ca -0.21 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1a74 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a74 s LEU 35 N -3.62 3.46 0.00 0.99 1.43 -0.71 -5.03 118.68 115.21 1a74 s LEU 35 Ca 0.00 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1a74 s LEU 35 Cb 0.00 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1a74 s LEU 35 CO 0.00 0.05 -0.18 -1.58 0.23 0.00 0.00 176.35 174.87 1a74 s GLN 36 N -3.26 1.40 0.44 1.70 0.74 -1.26 -0.72 119.66 118.69 1a74 s GLN 36 Ca 0.30 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 55.03 1a74 s GLN 36 Cb -0.09 -1.39 -0.03 0.00 1.10 0.00 0.00 33.01 32.61 1a74 s GLN 36 CO 0.21 0.37 0.06 0.20 -0.55 0.00 0.00 175.29 175.58 1a74 s GLY 37 N -0.62 2.73 -0.13 2.59 0.00 0.23 -4.90 107.32 107.21 1a74 s GLY 37 Ca 0.07 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1a74 s GLY 37 CO -0.00 -2.00 -0.10 -1.08 0.00 0.00 0.00 173.10 169.91 1a74 s THR 38 N -3.04 1.25 0.03 0.90 -1.32 -1.26 -0.89 115.64 111.31 1a74 s THR 38 Ca 0.18 -0.44 0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1a74 s THR 38 Cb 0.03 -1.23 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 1a74 s THR 38 CO 0.10 0.40 -0.07 -0.76 -2.21 0.00 0.00 174.62 172.08 1a74 s LEU 39 N 1.62 3.17 -0.37 9.08 1.02 0.75 -4.95 118.68 129.00 1a74 s LEU 39 Ca 0.05 -0.20 -0.01 0.00 0.02 0.00 0.00 54.13 53.99 1a74 s LEU 39 Cb -0.13 -1.86 0.10 0.00 0.02 0.00 0.00 46.19 44.32 1a74 s LEU 39 CO -0.09 0.25 0.13 -1.00 0.02 0.00 0.00 176.35 175.66 1a74 s HIS 40 N -1.08 3.59 -0.05 0.29 3.76 -1.26 -0.50 115.29 120.04 1a74 s HIS 40 Ca 0.19 -2.50 -0.16 0.00 -0.15 0.00 0.00 55.06 52.43 1a74 s HIS 40 Cb -0.11 -2.97 -0.05 0.00 1.11 0.00 0.00 32.58 30.55 1a74 s HIS 40 CO 0.10 -0.94 0.44 0.00 -0.85 0.00 0.00 174.74 173.49 1a74 s TYR 42 N -0.34 3.71 -0.12 0.00 1.51 -1.26 -1.07 117.35 119.78 1a74 s TYR 42 Ca 0.24 -2.03 -0.23 0.00 -1.01 0.00 0.00 57.07 54.04 1a74 s TYR 42 Cb -0.16 -3.76 -0.03 0.00 -0.11 0.00 0.00 41.96 37.90 1a74 s TYR 42 CO 0.12 -0.98 0.68 -1.21 -1.11 0.00 0.00 175.55 173.05 1a74 s GLU 43 N 0.19 4.35 0.32 -0.62 2.02 -0.93 -1.16 118.70 122.88 1a74 s GLU 43 Ca 0.17 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 55.67 1a74 s GLU 43 Cb -0.12 -3.50 -0.10 0.00 0.10 0.00 0.00 34.13 30.51 1a74 s GLU 43 CO -0.08 -0.06 1.38 -1.50 0.02 0.00 0.00 175.26 175.02 1a74 s ILE 44 N 1.25 2.56 0.89 -1.63 2.07 -0.00 -3.88 121.20 122.47 1a74 s ILE 44 Ca 0.34 0.54 -0.14 0.00 -1.41 0.00 0.00 60.65 59.99 1a74 s ILE 44 Cb -0.17 -3.35 0.02 0.00 0.13 0.00 0.00 42.46 39.09 1a74 s ILE 44 CO 0.15 0.12 0.46 -2.65 -1.91 0.00 0.00 174.94 171.11 1a74 n PRO 45 N 1.09 -0.13 0.16 3.50 -0.02 -1.26 -4.92 135.00 133.42 1a74 n PRO 45 Ca 0.02 0.01 0.02 0.00 -2.02 0.00 0.00 63.50 61.53 1a74 n PRO 45 Cb 0.41 -1.87 0.20 0.00 -0.02 0.00 0.00 33.50 32.22 1a74 n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a74 h LEU 46 N -1.25 0.00 -8.11 2.45 3.38 -1.93 -3.47 115.31 106.39 1a74 h LEU 46 Ca -0.44 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1a74 h LEU 46 Cb 1.30 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.91 1a74 h LEU 46 CO 0.37 0.51 -0.45 0.00 0.09 0.00 0.00 178.44 178.96 1a74 s ALA 47 N -3.42 0.20 0.49 1.53 0.00 -1.26 -5.14 121.76 114.16 1a74 s ALA 47 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 51.96 50.74 1a74 s ALA 47 Cb 0.11 0.70 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 1a74 s ALA 47 CO 0.73 -0.54 1.41 0.00 0.00 0.00 0.00 175.76 177.35 1a74 s ALA 48 N -3.95 3.07 0.32 0.00 0.00 -1.26 -4.23 121.76 115.71 1a74 s ALA 48 Ca 0.14 1.44 -0.26 0.00 0.00 0.00 0.00 51.96 53.28 1a74 s ALA 48 Cb 0.05 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 1a74 s ALA 48 CO -0.04 -1.30 0.95 -1.25 0.00 0.00 0.00 175.76 174.12 1a74 s PRO 49 N -2.64 4.59 -0.14 0.00 0.04 -1.26 -5.13 135.00 130.45 1a74 s PRO 49 Ca 0.65 1.34 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1a74 s PRO 49 Cb -0.43 -2.82 -0.23 0.00 0.04 0.00 0.00 34.50 31.06 1a74 s PRO 49 CO 0.54 0.28 0.28 0.66 0.04 0.00 0.00 177.00 178.80 1a74 n TYR 50 N 0.59 0.52 0.00 0.56 4.01 -1.26 -4.81 117.16 116.77 1a74 n TYR 50 Ca 0.02 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1a74 n TYR 50 Cb 0.50 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 1a74 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a74 n GLY 51 N 1.78 3.92 3.59 2.72 0.00 -1.26 -4.52 105.19 111.42 1a74 n GLY 51 Ca -0.29 -1.08 -0.48 0.00 0.00 0.00 0.00 46.02 44.18 1a74 n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a74 n VAL 52 N -1.50 0.41 0.00 1.61 0.31 -1.26 -1.34 118.33 116.56 1a74 n VAL 52 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1a74 n VAL 52 Cb 0.00 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 1a74 n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a74 n GLY 53 N 5.36 1.02 3.87 2.92 0.00 -1.26 -4.95 105.19 112.14 1a74 n GLY 53 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 1a74 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a74 s PHE 54 N -2.27 3.62 -0.07 1.61 0.08 -0.45 0.31 117.98 120.81 1a74 s PHE 54 Ca 0.00 0.62 -0.09 0.00 0.12 0.00 0.00 56.93 57.59 1a74 s PHE 54 Cb 0.00 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 1a74 s PHE 54 CO 0.00 0.69 0.23 0.00 -0.10 0.00 0.00 175.22 176.04 1a74 s ALA 55 N -1.10 -0.56 -0.25 5.36 0.00 -0.90 -4.55 121.76 119.76 1a74 s ALA 55 Ca 0.20 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 1a74 s ALA 55 Cb -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1a74 s ALA 55 CO 0.09 -0.14 0.68 0.21 0.00 0.00 0.00 175.76 176.60 1a74 s LYS 56 N -0.25 4.13 0.00 0.00 2.20 -1.26 -0.90 119.74 123.66 1a74 s LYS 56 Ca -0.04 0.65 0.20 0.00 -0.36 0.00 0.00 55.97 56.42 1a74 s LYS 56 Cb -0.03 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1a74 s LYS 56 CO 0.01 -0.44 0.97 0.27 -0.36 0.00 0.00 175.35 175.80 1a74 n ASN 57 N 5.78 1.81 -3.78 1.43 2.04 -0.91 -4.98 115.26 116.64 1a74 n ASN 57 Ca 0.01 -1.40 -0.06 0.00 -0.44 0.00 0.00 54.58 52.68 1a74 n ASN 57 Cb 0.49 0.50 -0.02 0.00 -2.53 0.00 0.00 39.78 38.22 1a74 n ASN 57 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1a74 s GLY 58 N -2.25 -0.19 0.27 4.83 0.00 -1.10 -4.94 107.32 103.95 1a74 s GLY 58 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 1a74 s GLY 58 CO 0.51 -0.03 1.63 -2.55 0.00 0.00 0.00 173.10 172.67 1a74 h PRO 59 N 2.00 0.14 -0.46 2.90 0.11 -2.04 -2.58 132.00 132.09 1a74 h PRO 59 Ca -0.22 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.57 1a74 h PRO 59 Cb 1.25 -0.03 -0.38 0.00 0.11 0.00 0.00 31.00 31.95 1a74 h PRO 59 CO 0.25 0.09 -0.96 0.25 -0.21 0.00 0.00 178.00 177.42 1a74 n THR 60 N -5.30 1.62 -4.61 -1.15 -2.24 -1.26 -5.05 114.28 96.29 1a74 n THR 60 Ca 0.19 -3.16 -0.23 0.00 -2.27 0.00 0.00 64.05 58.58 1a74 n THR 60 Cb 0.61 0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 69.04 1a74 n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a74 s ARG 61 N -3.27 1.18 0.06 -0.78 1.81 -0.97 -4.94 118.95 112.04 1a74 s ARG 61 Ca 0.37 -0.66 -0.03 0.00 -1.72 0.00 0.00 55.73 53.69 1a74 s ARG 61 Cb 0.36 -1.17 -0.03 0.00 -0.45 0.00 0.00 34.95 33.66 1a74 s ARG 61 CO -0.03 0.31 0.04 -1.58 -0.68 0.00 0.00 175.30 173.36 1a74 s TRP 62 N -0.55 0.39 0.04 -0.53 0.51 -1.26 -2.15 118.94 115.38 1a74 s TRP 62 Ca 0.05 -0.88 0.05 0.00 -2.12 0.00 0.00 56.10 53.20 1a74 s TRP 62 Cb -0.07 -0.28 -0.02 0.00 -0.81 0.00 0.00 33.47 32.30 1a74 s TRP 62 CO 0.00 -0.42 -0.14 -0.65 -0.51 0.00 0.00 176.95 175.23 1a74 s GLN 63 N -3.73 0.95 -0.17 4.98 -0.21 -0.08 -0.80 119.66 120.60 1a74 s GLN 63 Ca 0.05 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 54.63 1a74 s GLN 63 Cb 0.06 -0.96 -0.03 0.00 1.00 0.00 0.00 33.01 33.08 1a74 s GLN 63 CO -0.10 0.24 0.02 -0.47 -2.12 0.00 0.00 175.29 172.86 1a74 s TYR 64 N -0.81 3.14 0.01 0.91 5.04 0.95 -2.11 117.35 124.48 1a74 s TYR 64 Ca 0.02 -0.12 0.08 0.00 -2.44 0.00 0.00 57.07 54.62 1a74 s TYR 64 Cb -0.08 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.18 1a74 s TYR 64 CO 0.01 0.05 -0.25 0.21 -1.34 0.00 0.00 175.55 174.22 1a74 s LYS 65 N 0.42 1.92 -0.09 4.97 2.20 0.15 -1.31 119.74 128.00 1a74 s LYS 65 Ca 0.00 -0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1a74 s LYS 65 Cb -0.13 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.27 1a74 s LYS 65 CO 0.02 0.52 0.22 1.03 -0.36 0.00 0.00 175.35 176.78 1a74 s ARG 66 N -0.84 0.22 -0.47 4.03 1.81 -0.30 -4.58 118.95 118.82 1a74 s ARG 66 Ca 0.10 0.40 -0.18 0.00 -1.72 0.00 0.00 55.73 54.34 1a74 s ARG 66 Cb -0.10 -0.00 0.05 0.00 -0.45 0.00 0.00 34.95 34.45 1a74 s ARG 66 CO 0.00 -0.10 0.51 0.99 -0.68 0.00 0.00 175.30 176.03 1a74 s THR 67 N 0.67 5.03 0.00 0.02 2.01 -1.26 -0.09 115.64 122.01 1a74 s THR 67 Ca -0.05 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1a74 s THR 67 Cb -0.06 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1a74 s THR 67 CO -0.04 -0.64 0.00 -0.38 -0.69 0.00 0.00 174.62 172.88 1a74 n ILE 68 N 5.46 0.00 -3.01 1.82 -0.00 -0.88 -4.67 119.36 118.08 1a74 n ILE 68 Ca -0.08 0.12 -0.33 0.00 -0.00 0.00 0.00 62.75 62.46 1a74 n ILE 68 Cb 0.46 -0.61 -0.03 0.00 -0.00 0.00 0.00 39.64 39.45 1a74 n ILE 68 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1a74 n ASN 69 N -1.15 5.36 0.00 4.38 5.03 -1.26 -4.74 115.26 122.87 1a74 n ASN 69 Ca 0.00 -3.57 0.00 0.00 0.87 0.00 0.00 54.58 51.88 1a74 n ASN 69 Cb 0.00 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 1a74 n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a74 n GLN 70 N 0.40 0.00 -3.68 3.52 6.02 -1.26 -4.92 117.38 117.46 1a74 n GLN 70 Ca 0.33 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.96 1a74 n GLN 70 Cb 0.35 -2.41 -0.10 0.00 1.02 0.00 0.00 30.24 29.10 1a74 n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1a74 s VAL 71 N -1.29 5.21 0.14 5.09 0.11 -1.26 -5.05 120.40 123.35 1a74 s VAL 71 Ca 0.00 0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 1a74 s VAL 71 Cb 0.00 -3.44 -0.07 0.00 -1.53 0.00 0.00 36.38 31.35 1a74 s VAL 71 CO 0.00 0.33 1.05 0.54 -3.33 0.00 0.00 175.10 173.69 1a74 s VAL 72 N 1.22 4.13 0.05 2.04 0.11 -1.26 -2.08 120.40 124.62 1a74 s VAL 72 Ca 0.07 1.79 0.08 0.00 -2.93 0.00 0.00 61.98 60.99 1a74 s VAL 72 Cb -0.14 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.53 1a74 s VAL 72 CO 0.06 0.28 -0.20 -1.00 -3.33 0.00 0.00 175.10 170.91 1a74 s HIS 73 N -0.06 2.49 -0.02 1.54 3.76 0.87 -4.97 115.29 118.90 1a74 s HIS 73 Ca 0.49 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1a74 s HIS 73 Cb -0.27 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.01 1a74 s HIS 73 CO 0.32 0.24 0.05 0.50 -0.85 0.00 0.00 174.74 175.01 1a74 s ARG 74 N -1.50 0.02 0.14 1.40 3.52 -1.26 -1.15 118.95 120.12 1a74 s ARG 74 Ca 0.14 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1a74 s ARG 74 Cb -0.10 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.13 1a74 s ARG 74 CO 0.05 -0.09 -0.06 -1.58 -0.81 0.00 0.00 175.30 172.81 1a74 s TRP 75 N 0.60 1.16 0.21 5.12 0.51 -0.43 -4.97 118.94 121.14 1a74 s TRP 75 Ca -0.05 -0.88 -0.30 0.00 -2.12 0.00 0.00 56.10 52.75 1a74 s TRP 75 Cb -0.07 -0.64 -0.09 0.00 -0.81 0.00 0.00 33.47 31.86 1a74 s TRP 75 CO -0.02 -0.06 1.39 0.20 -0.51 0.00 0.00 176.95 177.95 1a74 s GLY 76 N -3.14 2.29 0.60 0.98 0.00 -1.26 -0.03 107.32 106.75 1a74 s GLY 76 Ca 0.18 1.23 0.28 0.00 0.00 0.00 0.00 44.72 46.41 1a74 s GLY 76 CO 0.00 2.23 1.75 1.48 0.00 0.00 0.00 173.10 178.57 1a74 h SER 77 N 5.45 0.00 0.22 1.64 4.64 -1.24 -0.30 113.55 123.96 1a74 h SER 77 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1a74 h SER 77 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1a74 h SER 77 CO 0.79 0.00 -0.71 1.41 -0.87 0.00 0.00 176.83 177.45 1a74 n HIS 78 N -3.53 0.00 0.15 4.77 8.25 -1.26 -4.32 115.22 119.28 1a74 n HIS 78 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 1a74 n HIS 78 Cb 0.85 -0.11 0.07 0.00 1.12 0.00 0.00 29.99 31.92 1a74 n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a74 h THR 79 N 0.23 0.00 -0.71 1.59 1.35 -1.41 -3.40 112.91 110.56 1a74 h THR 79 Ca 0.00 -1.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.01 1a74 h THR 79 Cb 0.52 1.70 -0.10 0.00 -1.73 0.00 0.00 68.15 68.54 1a74 h THR 79 CO 0.00 0.00 0.19 0.58 -0.25 0.00 0.00 175.52 176.04 1a74 h VAL 80 N 0.00 0.56 -0.45 6.82 2.07 -1.75 -1.84 116.25 121.66 1a74 h VAL 80 Ca 0.00 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.55 1a74 h VAL 80 Cb 1.00 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1a74 h VAL 80 CO 0.00 0.05 0.44 -0.65 0.02 0.00 0.00 177.57 177.43 1a74 h PRO 81 N 0.30 0.00 -0.48 1.57 0.11 -1.90 -2.33 132.00 129.27 1a74 h PRO 81 Ca 0.40 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.25 1a74 h PRO 81 Cb 0.65 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.61 1a74 h PRO 81 CO -0.47 0.00 0.04 1.19 -0.21 0.00 0.00 178.00 178.55 1a74 n PHE 82 N -3.85 1.49 0.31 0.65 3.72 -0.69 -4.69 117.46 114.39 1a74 n PHE 82 Ca 0.08 -1.69 0.19 0.00 -0.05 0.00 0.00 57.45 55.98 1a74 n PHE 82 Cb 0.63 -0.59 0.92 0.00 -0.94 0.00 0.00 39.48 39.50 1a74 n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a74 h LEU 83 N 1.03 0.00 -0.49 4.37 4.07 -1.47 -2.58 115.31 120.24 1a74 h LEU 83 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1a74 h LEU 83 Cb 1.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.60 1a74 h LEU 83 CO 0.54 0.00 -0.57 0.18 -1.08 0.00 0.00 178.44 177.51 1a74 n LEU 84 N -3.02 1.34 -4.94 1.67 4.32 -1.26 -4.96 117.00 110.15 1a74 n LEU 84 Ca -0.01 -0.48 -0.25 0.00 -0.02 0.00 0.00 56.01 55.26 1a74 n LEU 84 Cb 0.19 -0.06 -0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1a74 n LEU 84 CO 0.23 0.27 0.29 -1.61 -1.22 0.00 0.00 177.39 175.35 1a74 s GLU 85 N -2.69 3.35 0.43 3.23 0.41 -0.97 -5.05 118.70 117.41 1a74 s GLU 85 Ca 0.16 -0.24 -0.25 0.00 -0.41 0.00 0.00 54.97 54.23 1a74 s GLU 85 Cb 0.18 -2.55 -0.09 0.00 -1.78 0.00 0.00 34.13 29.89 1a74 s GLU 85 CO 0.65 -0.10 1.27 -2.30 -0.49 0.00 0.00 175.26 174.30 1a74 n PRO 86 N -2.02 1.90 -0.16 0.39 -0.02 -1.26 -4.90 135.00 128.92 1a74 n PRO 86 Ca -0.01 0.68 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1a74 n PRO 86 Cb 0.56 -2.39 0.27 0.00 -0.02 0.00 0.00 33.50 31.92 1a74 n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1a74 n ASP 87 N 0.12 2.19 -3.57 2.55 5.68 -1.26 -4.85 116.55 117.41 1a74 n ASP 87 Ca 0.07 -1.88 -0.12 0.00 -0.50 0.00 0.00 54.79 52.36 1a74 n ASP 87 Cb 0.40 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 40.13 1a74 n ASP 87 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a74 s ASN 88 N -1.29 -0.37 -0.05 -1.12 4.22 -1.26 -1.25 114.94 113.83 1a74 s ASN 88 Ca 0.31 -0.12 -0.02 0.00 -2.14 0.00 0.00 52.86 50.90 1a74 s ASN 88 Cb 0.17 0.51 0.03 0.00 1.28 0.00 0.00 41.25 43.24 1a74 s ASN 88 CO 0.24 -0.85 0.08 -0.51 -2.04 0.00 0.00 177.10 174.02 1a74 s ILE 89 N -3.44 -0.13 -1.35 0.54 1.10 0.38 -4.81 121.20 113.48 1a74 s ILE 89 Ca 0.00 0.38 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 1a74 s ILE 89 Cb 0.00 -0.17 0.01 0.00 0.15 0.00 0.00 42.46 42.45 1a74 s ILE 89 CO -0.10 0.16 0.08 0.59 -2.11 0.00 0.00 174.94 173.56 1a74 n ASN 90 N 5.09 -4.74 0.00 4.50 5.03 -1.26 -0.69 115.26 123.19 1a74 n ASN 90 Ca -0.08 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1a74 n ASN 90 Cb 0.50 -3.97 0.00 0.00 -1.02 0.00 0.00 39.78 35.29 1a74 n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a74 n GLY 91 N -0.96 0.74 3.56 7.41 0.00 -1.26 -5.05 105.19 109.64 1a74 n GLY 91 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1a74 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a74 s LYS 92 N -0.33 3.48 0.21 1.61 1.02 0.13 -5.07 119.74 120.80 1a74 s LYS 92 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 1a74 s LYS 92 Cb 0.00 -2.90 -0.12 0.00 -0.52 0.00 0.00 37.83 34.29 1a74 s LYS 92 CO 0.00 0.38 1.67 2.41 -0.92 0.00 0.00 175.35 178.89 1a74 n THR 93 N 3.12 0.17 -2.55 2.17 -1.04 -1.26 -0.47 114.28 114.41 1a74 n THR 93 Ca -0.18 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.42 1a74 n THR 93 Cb 0.53 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 1a74 n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a74 s THR 95 N -1.52 1.00 -0.61 0.00 2.01 0.35 -4.86 115.64 112.01 1a74 s THR 95 Ca 0.53 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1a74 s THR 95 Cb -0.24 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.35 1a74 s THR 95 CO 0.31 -0.14 1.23 0.00 -0.69 0.00 0.00 174.62 175.32 1a74 s ALA 96 N -1.07 2.94 -0.31 7.40 0.00 -1.26 -1.22 121.76 128.24 1a74 s ALA 96 Ca -0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1a74 s ALA 96 Cb -0.09 -4.08 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 1a74 s ALA 96 CO 0.01 -2.79 0.49 0.45 0.00 0.00 0.00 175.76 173.93 1a74 s SER 97 N 3.20 6.34 -0.59 0.00 0.15 0.19 -4.91 113.70 118.07 1a74 s SER 97 Ca 0.42 0.17 -0.28 0.00 0.70 0.00 0.00 55.95 56.96 1a74 s SER 97 Cb -0.08 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1a74 s SER 97 CO 0.24 -0.38 1.31 -1.00 1.20 0.00 0.00 173.24 174.60 1a74 s HIS 98 N 2.32 2.42 0.44 3.44 3.76 -1.26 -1.44 115.29 124.96 1a74 s HIS 98 Ca 0.19 0.38 0.37 0.00 -0.15 0.00 0.00 55.06 55.84 1a74 s HIS 98 Cb -0.16 -4.48 1.86 0.00 1.11 0.00 0.00 32.58 30.92 1a74 s HIS 98 CO 0.12 -1.83 2.18 -0.07 -0.85 0.00 0.00 174.74 174.29 1a74 h LEU 99 N 12.61 0.00 -1.11 0.89 4.07 -0.26 -1.83 115.31 129.68 1a74 h LEU 99 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1a74 h LEU 99 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1a74 h LEU 99 CO 1.20 0.03 -0.13 0.00 -1.08 0.00 0.00 178.44 178.46 1a74 n HIS 101 N 0.27 -2.09 -3.89 0.00 8.25 -0.69 -4.93 115.22 112.13 1a74 n HIS 101 Ca 0.15 0.77 -0.30 0.00 -0.26 0.00 0.00 57.72 58.07 1a74 n HIS 101 Cb 0.43 -3.64 -0.15 0.00 1.12 0.00 0.00 29.99 27.75 1a74 n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a74 s ASN 102 N -3.12 4.37 0.31 0.41 3.84 -1.26 -5.02 114.94 114.46 1a74 s ASN 102 Ca 0.60 -1.85 0.03 0.00 0.21 0.00 0.00 52.86 51.85 1a74 s ASN 102 Cb -0.30 -1.26 0.62 0.00 -0.55 0.00 0.00 41.25 39.76 1a74 s ASN 102 CO 0.73 -0.38 1.86 0.74 -2.79 0.00 0.00 177.10 177.26 1a74 h THR 103 N 6.56 0.93 0.00 -5.21 2.02 -1.96 -2.08 112.91 113.17 1a74 h THR 103 Ca -0.09 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1a74 h THR 103 Cb 1.02 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1a74 h THR 103 CO 0.49 0.17 0.00 0.54 0.37 0.00 0.00 175.52 177.09 1a74 n ARG 104 N -4.58 0.11 -2.63 6.66 1.74 -1.26 -4.80 116.66 111.90 1a74 n ARG 104 Ca 0.17 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 57.07 1a74 n ARG 104 Cb 0.35 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 1a74 n ARG 104 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a74 n HIS 106 N 2.98 0.00 -1.81 0.00 8.25 -0.31 -4.96 115.22 119.37 1a74 n HIS 106 Ca 0.04 -0.63 -0.43 0.00 -0.26 0.00 0.00 57.72 56.44 1a74 n HIS 106 Cb 0.48 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 1a74 n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a74 s ASN 107 N -1.48 6.13 0.65 0.41 3.84 -1.26 -4.85 114.94 118.39 1a74 s ASN 107 Ca 0.08 2.07 0.43 0.00 0.21 0.00 0.00 52.86 55.65 1a74 s ASN 107 Cb 0.07 -2.53 2.30 0.00 -0.55 0.00 0.00 41.25 40.55 1a74 s ASN 107 CO 0.01 -1.39 2.33 1.55 -2.79 0.00 0.00 177.10 176.81 1a74 h PRO 108 N 11.94 0.00 0.00 0.43 0.13 -1.95 0.61 132.00 143.17 1a74 h PRO 108 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1a74 h PRO 108 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1a74 h PRO 108 CO 0.97 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 1a74 n LEU 109 N -3.13 0.00 -0.22 1.56 4.77 -1.26 -2.41 117.00 116.31 1a74 n LEU 109 Ca -0.03 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1a74 n LEU 109 Cb 0.10 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1a74 n LEU 109 CO 0.21 -0.00 0.55 1.41 -1.33 0.00 0.00 177.39 178.23 1a74 n HIS 110 N -1.10 0.16 -4.42 -1.77 8.25 0.20 -5.02 115.22 111.53 1a74 n HIS 110 Ca 0.20 -0.53 -0.27 0.00 -0.26 0.00 0.00 57.72 56.86 1a74 n HIS 110 Cb 0.15 -0.05 -0.13 0.00 1.12 0.00 0.00 29.99 31.08 1a74 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a74 s LEU 111 N -1.13 2.29 0.05 2.41 1.43 -1.01 0.55 118.68 123.27 1a74 s LEU 111 Ca 0.10 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1a74 s LEU 111 Cb 0.06 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1a74 s LEU 111 CO 0.05 0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.78 1a74 s TRP 113 N -3.80 3.23 0.31 0.00 -0.00 -1.26 0.52 118.94 117.95 1a74 s TRP 113 Ca 0.06 -1.37 -0.17 0.00 -0.00 0.00 0.00 56.10 54.62 1a74 s TRP 113 Cb 0.07 -2.26 0.02 0.00 -0.00 0.00 0.00 33.47 31.30 1a74 s TRP 113 CO -0.10 -0.71 0.69 -1.83 -0.00 0.00 0.00 176.95 175.00 1a74 s GLU 114 N 1.41 1.88 0.92 5.86 -1.05 -0.35 -4.82 118.70 122.55 1a74 s GLU 114 Ca -0.01 -1.21 -0.10 0.00 -0.15 0.00 0.00 54.97 53.50 1a74 s GLU 114 Cb -0.19 0.58 0.15 0.00 -0.44 0.00 0.00 34.13 34.23 1a74 s GLU 114 CO 0.03 -0.85 1.14 -1.54 0.95 0.00 0.00 175.26 174.98 1a74 s SER 115 N -3.00 2.88 0.38 0.83 1.04 -1.26 0.13 113.70 114.71 1a74 s SER 115 Ca 0.15 2.15 0.09 0.00 0.48 0.00 0.00 55.95 58.82 1a74 s SER 115 Cb -0.05 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.29 1a74 s SER 115 CO 0.09 -3.12 1.91 0.25 0.98 0.00 0.00 173.24 173.35 1a74 h LEU 116 N -1.88 0.23 -0.40 2.42 6.46 -1.94 -0.07 115.31 120.14 1a74 h LEU 116 Ca -0.44 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.21 1a74 h LEU 116 Cb 1.27 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1a74 h LEU 116 CO 0.42 0.39 0.01 0.44 -0.62 0.00 0.00 178.44 179.09 1a74 h ASP 117 N 0.24 0.67 -0.29 1.25 3.32 -1.94 0.23 116.42 119.89 1a74 h ASP 117 Ca 0.05 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 1a74 h ASP 117 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1a74 h ASP 117 CO 0.02 0.81 -0.25 0.44 -1.72 0.00 0.00 179.24 178.54 1a74 h ASP 118 N 0.52 0.80 0.44 6.45 3.32 -1.82 -1.73 116.42 124.41 1a74 h ASP 118 Ca 0.11 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1a74 h ASP 118 Cb 0.45 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1a74 h ASP 118 CO 0.02 1.01 -0.29 -1.13 -1.72 0.00 0.00 179.24 177.13 1a74 h ASN 119 N 0.68 -0.74 -0.66 6.45 -0.73 -0.69 -3.15 115.58 116.74 1a74 h ASN 119 Ca 0.09 0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.41 1a74 h ASN 119 Cb 0.77 0.22 -0.08 0.00 0.27 0.00 0.00 38.32 39.50 1a74 h ASN 119 CO 0.06 -0.43 0.26 0.11 -0.37 0.00 0.00 177.43 177.06 1a74 h LYS 120 N -0.69 0.42 -0.11 6.67 1.57 -0.54 -2.54 116.57 121.37 1a74 h LYS 120 Ca -0.06 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1a74 h LYS 120 Cb 0.56 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1a74 h LYS 120 CO 0.05 0.28 0.39 0.78 -0.57 0.00 0.00 179.45 180.38 1a74 h GLY 121 N 0.44 0.00 2.00 3.86 0.00 -1.27 -0.22 103.07 107.87 1a74 h GLY 121 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1a74 h GLY 121 CO -0.33 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.75 1a74 n ARG 122 N -3.08 0.15 0.20 4.80 1.74 -0.96 -2.34 116.66 117.18 1a74 n ARG 122 Ca 0.00 0.34 0.04 0.00 -0.77 0.00 0.00 57.85 57.47 1a74 n ARG 122 Cb 0.47 -1.77 0.40 0.00 -1.02 0.00 0.00 32.46 30.54 1a74 n ARG 122 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1a74 h ASN 123 N 0.00 0.00 -0.44 0.55 2.35 -1.23 -3.05 115.58 113.77 1a74 h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a74 h ASN 123 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1a74 h ASN 123 CO 0.00 0.34 0.00 0.79 -1.65 0.00 0.00 177.43 176.91 1a74 n TRP 124 N -3.90 0.58 -2.32 1.19 8.01 -0.99 -0.45 117.44 119.57 1a74 n TRP 124 Ca -0.02 -0.43 -0.41 0.00 -1.31 0.00 0.00 57.50 55.34 1a74 n TRP 124 Cb 0.41 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.66 1a74 n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a74 h PRO 126 N 4.27 0.00 0.00 0.00 0.13 -1.87 -3.32 132.00 131.21 1a74 h PRO 126 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1a74 h PRO 126 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a74 h PRO 126 CO 0.70 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 1a74 n GLY 127 N -0.94 2.38 0.34 1.56 0.00 -1.24 -4.07 105.19 103.22 1a74 n GLY 127 Ca -0.02 -2.01 0.17 0.00 0.00 0.00 0.00 46.02 44.16 1a74 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a74 h PRO 128 N 0.00 0.00 -0.16 1.61 0.13 -1.69 0.15 132.00 132.03 1a74 h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a74 h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a74 h PRO 128 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1a74 n ASN 129 N -3.99 2.36 -0.02 1.44 3.02 -0.49 -4.61 115.26 112.98 1a74 n ASN 129 Ca 0.03 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1a74 n ASN 129 Cb 0.39 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1a74 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a74 n GLY 130 N 0.12 1.15 0.00 7.41 0.00 -0.44 -2.97 105.19 110.46 1a74 n GLY 130 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1a74 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a74 n GLY 131 N -0.27 1.57 3.69 -0.02 0.00 -1.01 -4.69 105.19 104.48 1a74 n GLY 131 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1a74 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a74 n VAL 133 N 3.32 1.54 -2.03 0.00 0.24 -1.26 -4.90 118.33 115.23 1a74 n VAL 133 Ca 0.15 -1.64 -0.42 0.00 -2.04 0.00 0.00 64.34 60.39 1a74 n VAL 133 Cb 0.32 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 1a74 n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1a74 s HIS 134 N -2.02 3.14 0.21 6.34 3.76 -1.26 -4.89 115.29 120.57 1a74 s HIS 134 Ca 0.21 0.77 -0.10 0.00 -0.15 0.00 0.00 55.06 55.79 1a74 s HIS 134 Cb 0.17 -3.82 0.29 0.00 1.11 0.00 0.00 32.58 30.33 1a74 s HIS 134 CO 0.04 -2.97 1.69 0.00 -0.85 0.00 0.00 174.74 172.65 1a74 h ALA 135 N 6.77 0.66 -2.05 -1.40 0.00 -2.05 -2.87 119.26 118.31 1a74 h ALA 135 Ca -0.42 0.15 -0.72 0.00 0.00 0.00 0.00 54.91 53.91 1a74 h ALA 135 Cb 1.21 0.23 -0.21 0.00 0.00 0.00 0.00 17.79 19.02 1a74 h ALA 135 CO 0.89 -0.35 0.09 0.08 0.00 0.00 0.00 179.25 179.96 1a74 s VAL 136 N -6.12 4.99 0.38 0.00 1.01 -1.26 -5.02 120.40 114.37 1a74 s VAL 136 Ca -0.13 -1.32 -0.26 0.00 0.00 0.00 0.00 61.98 60.27 1a74 s VAL 136 Cb 0.18 -4.48 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1a74 s VAL 136 CO 0.74 -1.09 1.13 0.55 0.00 0.00 0.00 175.10 176.43 1a74 n VAL 137 N 5.29 2.28 -2.09 2.92 3.14 -1.09 -4.98 118.33 123.81 1a74 n VAL 137 Ca -0.06 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.48 1a74 n VAL 137 Cb 0.43 -1.31 0.02 0.00 -1.06 0.00 0.00 33.84 31.92 1a74 n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a74 h LEU 139 N 0.81 0.00 -8.30 0.00 3.38 -1.95 -3.37 115.31 105.89 1a74 h LEU 139 Ca -0.49 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1a74 h LEU 139 Cb 1.26 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 1a74 h LEU 139 CO 0.56 0.27 -0.15 0.00 0.09 0.00 0.00 178.44 179.21 1a74 s ARG 140 N -3.15 1.61 0.05 1.13 1.04 -1.26 -4.83 118.95 113.53 1a74 s ARG 140 Ca -0.01 -1.36 -0.14 0.00 -1.04 0.00 0.00 55.73 53.18 1a74 s ARG 140 Cb 0.09 0.46 -0.06 0.00 -2.04 0.00 0.00 34.95 33.40 1a74 s ARG 140 CO 0.79 -0.67 1.23 0.37 -0.04 0.00 0.00 175.30 176.98 1a74 h GLN 141 N 2.25 -0.27 0.00 3.89 4.15 -1.00 -3.40 115.11 120.73 1a74 h GLN 141 Ca -0.27 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1a74 h GLN 141 Cb 1.25 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1a74 h GLN 141 CO 0.37 -0.18 0.00 0.41 -1.93 0.00 0.00 178.83 177.50 1a74 n GLY 142 N -1.19 3.61 0.42 2.39 0.00 -1.25 -3.59 105.19 105.58 1a74 n GLY 142 Ca -0.03 -0.75 0.23 0.00 0.00 0.00 0.00 46.02 45.48 1a74 n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a74 h PRO 143 N 0.00 0.00 -0.16 1.61 0.11 -1.82 -2.64 132.00 129.11 1a74 h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a74 h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1a74 h PRO 143 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1a74 n LEU 144 N -3.97 2.93 -4.77 2.35 4.32 0.40 -4.97 117.00 113.30 1a74 n LEU 144 Ca 0.12 -1.21 -0.41 0.00 -0.02 0.00 0.00 56.01 54.49 1a74 n LEU 144 Cb 0.76 -0.09 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 1a74 n LEU 144 CO 0.32 0.56 1.03 -0.47 -1.22 0.00 0.00 177.39 177.62 1a74 s TYR 145 N -1.56 2.97 -5.00 -1.77 5.04 -1.00 -4.78 117.35 111.25 1a74 s TYR 145 Ca 0.28 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1a74 s TYR 145 Cb 0.18 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.73 1a74 s TYR 145 CO 0.26 -2.22 0.00 0.41 -1.34 0.00 0.00 175.55 172.67 1a74 n GLY 146 N 1.04 -1.77 0.23 8.97 0.00 -1.26 -4.95 105.19 107.46 1a74 n GLY 146 Ca 0.02 -1.46 0.10 0.00 0.00 0.00 0.00 46.02 44.68 1a74 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a74 h PRO 147 N 1.55 0.00 0.00 1.61 0.13 -2.04 -3.49 132.00 129.76 1a74 h PRO 147 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a74 h PRO 147 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a74 h PRO 147 CO 0.00 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.39 1a74 n GLY 148 N -0.15 -0.78 2.29 1.56 0.00 -1.26 -4.80 105.19 102.05 1a74 n GLY 148 Ca -0.01 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 1a74 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a74 n ALA 149 N -0.53 2.78 -2.25 4.61 0.00 -1.26 -5.09 120.51 118.76 1a74 n ALA 149 Ca 0.00 -3.74 -0.42 0.00 0.00 0.00 0.00 53.44 49.28 1a74 n ALA 149 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1a74 n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a74 s THR 150 N -2.00 3.60 0.04 0.00 2.01 -1.26 -4.94 115.64 113.08 1a74 s THR 150 Ca 0.38 1.12 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 1a74 s THR 150 Cb 0.22 -3.72 -0.30 0.00 0.01 0.00 0.00 72.50 68.71 1a74 s THR 150 CO -0.09 0.07 1.00 0.58 -0.69 0.00 0.00 174.62 175.49 1a74 h VAL 151 N 4.46 1.31 -3.13 3.82 2.07 -2.03 -3.46 116.25 119.29 1a74 h VAL 151 Ca -0.41 -2.87 -0.17 0.00 0.82 0.00 0.00 66.70 64.07 1a74 h VAL 151 Cb 1.20 2.90 -0.26 0.00 -1.52 0.00 0.00 31.29 33.61 1a74 h VAL 151 CO 0.86 0.85 -0.44 0.00 0.02 0.00 0.00 177.57 178.86 1a74 s ALA 152 N -2.63 -0.60 0.13 1.67 0.00 -1.26 -5.17 121.76 113.91 1a74 s ALA 152 Ca -0.07 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1a74 s ALA 152 Cb 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1a74 s ALA 152 CO 0.89 -0.13 0.05 0.41 0.00 0.00 0.00 175.76 176.98 1a74 n GLY 153 N 3.12 1.62 3.72 0.00 0.00 -1.26 -5.03 105.19 107.35 1a74 n GLY 153 Ca -0.14 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 1a74 n GLY 153 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1a74 s PRO 154 N -2.26 4.15 0.07 1.61 0.02 -1.26 -4.99 135.00 132.35 1a74 s PRO 154 Ca 0.04 2.53 -0.19 0.00 0.02 0.00 0.00 61.00 63.40 1a74 s PRO 154 Cb -0.00 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.39 1a74 s PRO 154 CO 0.02 -0.72 0.45 1.14 -0.33 0.00 0.00 177.00 177.56 1a74 s GLN 155 N 1.37 1.01 -0.01 5.54 -2.07 -1.26 -5.17 119.66 119.07 1a74 s GLN 155 Ca 0.74 -0.43 -0.07 0.00 -1.82 0.00 0.00 55.36 53.78 1a74 s GLN 155 Cb -0.47 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 31.90 1a74 s GLN 155 CO 0.32 -0.37 0.15 1.14 -1.32 0.00 0.00 175.29 175.21 1a74 s GLN 156 N -2.89 0.42 -0.08 9.60 -2.07 -1.26 -5.07 119.66 118.32 1a74 s GLN 156 Ca -0.03 -0.25 -0.07 0.00 -1.82 0.00 0.00 55.36 53.19 1a74 s GLN 156 Cb -0.00 0.18 -0.28 0.00 -1.09 0.00 0.00 33.01 31.82 1a74 s GLN 156 CO -0.05 -0.10 0.55 0.00 -1.32 0.00 0.00 175.29 174.37 1a74 h ARG 157 N 4.63 0.30 0.00 9.60 3.08 -2.03 -3.48 114.38 126.48 1a74 h ARG 157 Ca -0.29 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.25 1a74 h ARG 157 Cb 1.19 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1a74 h ARG 157 CO 0.40 1.20 0.00 0.41 -1.07 0.00 0.00 179.97 180.92 1a74 n GLY 158 N 1.89 2.35 2.64 0.04 0.00 -1.26 -5.08 105.19 105.77 1a74 n GLY 158 Ca -0.27 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 1a74 n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a74 n SER 159 N 0.00 1.33 -0.21 1.61 3.41 -1.26 -4.86 113.62 113.64 1a74 n SER 159 Ca 0.00 -2.72 0.09 0.00 -0.26 0.00 0.00 58.87 55.99 1a74 n SER 159 Cb 0.00 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 1a74 n SER 159 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1a74 n HIS 160 N -0.06 0.00 -4.44 7.33 8.25 -1.26 -5.00 115.22 120.04 1a74 n HIS 160 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 1a74 n HIS 160 Cb 0.81 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.82 1a74 n HIS 160 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1a74 s PHE 161 N -2.55 2.07 0.05 4.41 0.08 -1.26 -5.15 117.98 115.63 1a74 s PHE 161 Ca 0.12 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1a74 s PHE 161 Cb 0.15 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1a74 s PHE 161 CO 0.66 0.52 0.05 0.14 -0.10 0.00 0.00 175.22 176.48 1a74 s VAL 162 N -2.75 0.17 -2.00 -0.44 -7.23 -1.26 -5.14 120.40 101.74 1a74 s VAL 162 Ca 0.28 -1.38 0.15 0.00 -1.81 0.00 0.00 61.98 59.21 1a74 s VAL 162 Cb -0.01 -1.18 0.42 0.00 0.56 0.00 0.00 36.38 36.17 1a74 s VAL 162 CO 0.12 -0.76 1.29 0.52 -0.31 0.00 0.00 175.10 175.96