#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n ARG 2 N 0.00 0.00 -3.12 3.17 1.74 -1.26 -5.01 116.66 112.18 2aw4 n ARG 2 Ca 0.00 0.02 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 2aw4 n ARG 2 Cb 0.00 -0.20 -0.00 0.00 -1.02 0.00 0.00 32.46 31.24 2aw4 n ARG 2 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2aw4 s HIS 3 N -0.22 -1.01 0.21 -1.55 3.76 -1.26 -5.15 115.29 110.06 2aw4 s HIS 3 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 2aw4 s HIS 3 Cb 0.00 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.87 2aw4 s HIS 3 CO 0.00 -0.60 0.00 -2.13 -0.85 0.00 0.00 174.74 171.16 2aw4 n ARG 4 N 5.03 -1.24 -0.37 1.40 3.00 -1.26 -5.02 116.66 118.21 2aw4 n ARG 4 Ca 0.08 0.99 -0.09 0.00 -0.00 0.00 0.00 57.85 58.83 2aw4 n ARG 4 Cb 0.57 -1.35 -0.04 0.00 0.00 0.00 0.00 32.46 31.64 2aw4 n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2aw4 n LYS 5 N -2.47 0.00 -3.83 -0.14 3.00 -1.26 -4.92 118.16 108.54 2aw4 n LYS 5 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.21 2aw4 n LYS 5 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 35.03 34.89 2aw4 n LYS 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2aw4 s SER 6 N 1.55 -0.27 0.00 3.14 1.04 -1.26 -5.20 113.70 112.71 2aw4 s SER 6 Ca 0.33 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.17 2aw4 s SER 6 Cb -0.28 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2aw4 s SER 6 CO 0.13 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2aw4 n GLY 7 N -0.44 -1.38 0.64 7.32 0.00 -1.26 -5.12 105.19 104.94 2aw4 n GLY 7 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2aw4 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw4 n ARG 8 N -0.47 0.00 -3.57 1.61 5.12 -1.26 -5.15 116.66 112.95 2aw4 n ARG 8 Ca 0.00 0.21 -0.06 0.00 -1.93 0.00 0.00 57.85 56.08 2aw4 n ARG 8 Cb 0.00 -0.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.72 2aw4 n ARG 8 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2aw4 s GLN 9 N -0.62 0.58 0.05 5.56 -2.07 -1.26 -5.14 119.66 116.77 2aw4 s GLN 9 Ca 0.00 -0.23 -0.17 0.00 -1.82 0.00 0.00 55.36 53.14 2aw4 s GLN 9 Cb 0.00 0.26 0.03 0.00 -1.09 0.00 0.00 33.01 32.21 2aw4 s GLN 9 CO 0.00 -0.26 0.38 -0.48 -1.32 0.00 0.00 175.29 173.61 2aw4 s LEU 10 N -2.41 0.55 -0.87 2.60 0.05 -1.26 -5.06 118.68 112.28 2aw4 s LEU 10 Ca 0.08 -0.10 -0.24 0.00 0.05 0.00 0.00 54.13 53.92 2aw4 s LEU 10 Cb -0.01 1.64 -0.21 0.00 -2.05 0.00 0.00 46.19 45.56 2aw4 s LEU 10 CO -0.06 -0.67 2.48 0.59 -0.55 0.00 0.00 176.35 178.14 2aw4 n ASN 11 N 0.43 0.47 -3.63 1.48 4.13 -1.26 -4.74 115.26 112.14 2aw4 n ASN 11 Ca -0.18 -0.33 -0.00 0.00 1.68 0.00 0.00 54.58 55.75 2aw4 n ASN 11 Cb 0.60 -1.05 -0.01 0.00 -1.54 0.00 0.00 39.78 37.78 2aw4 n ASN 11 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2aw4 s ARG 12 N 8.38 0.52 0.03 3.52 3.52 -1.26 -5.14 118.95 128.51 2aw4 s ARG 12 Ca 1.22 -0.28 -0.23 0.00 -0.13 0.00 0.00 55.73 56.31 2aw4 s ARG 12 Cb -0.81 0.18 -0.05 0.00 -1.56 0.00 0.00 34.95 32.71 2aw4 s ARG 12 CO 0.41 -0.24 0.70 1.21 -0.81 0.00 0.00 175.30 176.58 2aw4 s ASN 13 N -2.87 7.12 0.00 -2.12 2.47 -1.26 -4.90 114.94 113.38 2aw4 s ASN 13 Ca 0.13 1.34 0.25 0.00 0.42 0.00 0.00 52.86 55.00 2aw4 s ASN 13 Cb 0.03 -2.43 1.34 0.00 -1.45 0.00 0.00 41.25 38.74 2aw4 s ASN 13 CO -0.03 0.05 1.86 -1.20 -3.72 0.00 0.00 177.10 174.06 2aw4 n SER 14 N 2.77 0.00 0.03 -4.21 7.64 -1.26 0.20 113.62 118.79 2aw4 n SER 14 Ca -0.04 -0.24 -0.07 0.00 1.01 0.00 0.00 58.87 59.53 2aw4 n SER 14 Cb 0.50 -0.22 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 2aw4 n SER 14 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2aw4 h SER 15 N 0.00 0.00 0.00 6.43 0.02 -2.04 -3.36 113.55 114.60 2aw4 h SER 15 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2aw4 h SER 15 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2aw4 h SER 15 CO 0.00 0.96 -1.49 1.41 -1.14 0.00 0.00 176.83 176.58 2aw4 n HIS 16 N -3.21 0.00 -0.39 3.45 8.25 0.10 -4.51 115.22 118.90 2aw4 n HIS 16 Ca -0.07 0.00 0.31 0.00 -0.26 0.00 0.00 57.72 57.70 2aw4 n HIS 16 Cb 0.97 -0.27 0.59 0.00 1.12 0.00 0.00 29.99 32.40 2aw4 n HIS 16 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2aw4 h ARG 17 N 0.00 0.20 -0.70 -0.41 2.43 0.21 -0.03 114.38 116.07 2aw4 h ARG 17 Ca 0.00 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 2aw4 h ARG 17 Cb 0.58 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 2aw4 h ARG 17 CO 0.00 0.13 0.24 1.96 -1.51 0.00 0.00 179.97 180.79 2aw4 h GLN 18 N 0.20 0.36 0.13 0.20 4.20 -1.79 -1.92 115.11 116.49 2aw4 h GLN 18 Ca 0.74 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.42 2aw4 h GLN 18 Cb 2.14 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.84 2aw4 h GLN 18 CO -0.39 0.24 -0.06 0.00 -0.67 0.00 0.00 178.83 177.95 2aw4 h ALA 19 N 1.53 -0.17 0.00 3.87 0.00 -1.32 0.41 119.26 123.58 2aw4 h ALA 19 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aw4 h ALA 19 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2aw4 h ALA 19 CO -0.41 -0.20 0.15 -1.33 0.00 0.00 0.00 179.25 177.46 2aw4 n MET 20 N -4.86 0.00 0.00 0.00 2.81 -1.09 -0.32 117.12 113.65 2aw4 n MET 20 Ca -0.06 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2aw4 n MET 20 Cb 0.23 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 2aw4 n MET 20 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2aw4 n PHE 21 N -1.12 0.00 -0.04 2.03 0.99 -0.74 -4.65 117.46 113.94 2aw4 n PHE 21 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.27 2aw4 n PHE 21 Cb 0.15 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.50 2aw4 n PHE 21 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 2aw4 h ARG 22 N 0.00 0.09 -0.46 -1.08 0.11 0.29 -2.33 114.38 111.00 2aw4 h ARG 22 Ca 0.00 -0.16 0.09 0.00 0.10 0.00 0.00 59.98 60.01 2aw4 h ARG 22 Cb 0.19 0.06 -0.08 0.00 1.11 0.00 0.00 29.97 31.25 2aw4 h ARG 22 CO 0.00 1.07 -0.03 -0.91 0.10 0.00 0.00 179.97 180.21 2aw4 h ASN 23 N -0.78 -0.25 -0.67 0.08 2.35 -1.63 0.20 115.58 114.86 2aw4 h ASN 23 Ca -0.14 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2aw4 h ASN 23 Cb 1.29 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.84 2aw4 h ASN 23 CO -0.00 -0.09 0.45 -0.03 -1.65 0.00 0.00 177.43 176.11 2aw4 h MET 24 N 0.08 0.85 -0.47 0.81 4.05 -1.76 -2.21 114.93 116.29 2aw4 h MET 24 Ca 0.23 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 2aw4 h MET 24 Cb 0.34 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2aw4 h MET 24 CO -0.41 0.56 -0.02 0.00 0.23 0.00 0.00 176.91 177.28 2aw4 h ALA 25 N 1.59 0.63 0.00 0.39 0.00 -0.16 -2.51 119.26 119.20 2aw4 h ALA 25 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2aw4 h ALA 25 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2aw4 h ALA 25 CO -0.06 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2aw4 n GLY 26 N -0.35 -1.05 0.12 0.00 0.00 0.28 -3.15 105.19 101.04 2aw4 n GLY 26 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2aw4 n GLY 26 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2aw4 h SER 27 N 0.00 0.40 -0.85 1.61 0.87 -1.02 -2.80 113.55 111.77 2aw4 h SER 27 Ca 0.00 -0.84 0.17 0.00 -1.23 0.00 0.00 61.79 59.89 2aw4 h SER 27 Cb 0.28 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.00 2aw4 h SER 27 CO 0.00 1.20 0.39 -0.07 -0.53 0.00 0.00 176.83 177.83 2aw4 h LEU 28 N -0.34 0.41 -0.69 2.23 4.07 -1.58 0.72 115.31 120.13 2aw4 h LEU 28 Ca -0.08 0.12 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 2aw4 h LEU 28 Cb 1.33 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.11 2aw4 h LEU 28 CO 0.11 0.12 0.06 0.58 -1.08 0.00 0.00 178.44 178.23 2aw4 h VAL 29 N 0.51 1.26 -0.72 1.22 2.07 -1.69 -2.43 116.25 116.47 2aw4 h VAL 29 Ca 0.49 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2aw4 h VAL 29 Cb 0.79 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2aw4 h VAL 29 CO -0.43 0.40 0.19 -0.09 0.02 0.00 0.00 177.57 177.66 2aw4 h ARG 30 N 1.00 1.14 0.00 1.57 2.43 -0.15 -3.45 114.38 116.91 2aw4 h ARG 30 Ca 0.19 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2aw4 h ARG 30 Cb 0.49 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2aw4 h ARG 30 CO 0.02 0.99 0.00 0.72 -1.51 0.00 0.00 179.97 180.19 2aw4 n HIS 31 N -4.25 0.00 0.08 2.20 8.25 0.21 -5.09 115.22 116.62 2aw4 n HIS 31 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2aw4 n HIS 31 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2aw4 n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2aw4 n GLU 32 N 0.00 0.00 -4.75 -0.41 2.13 -1.11 -4.83 120.64 111.67 2aw4 n GLU 32 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2aw4 n GLU 32 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 2aw4 n GLU 32 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2aw4 s ILE 33 N -2.00 3.16 -0.27 6.31 -0.00 -1.26 -3.74 121.20 123.40 2aw4 s ILE 33 Ca 0.00 -0.81 -0.00 0.00 -0.00 0.00 0.00 60.65 59.84 2aw4 s ILE 33 Cb 0.00 -2.28 0.14 0.00 -0.00 0.00 0.00 42.46 40.32 2aw4 s ILE 33 CO 0.00 0.51 0.37 0.27 -0.00 0.00 0.00 174.94 176.08 2aw4 s ILE 34 N -0.82 -0.56 0.10 8.37 -0.00 0.59 -5.00 121.20 123.88 2aw4 s ILE 34 Ca 0.13 -0.25 -0.31 0.00 -0.00 0.00 0.00 60.65 60.22 2aw4 s ILE 34 Cb -0.11 -0.92 -0.10 0.00 -0.00 0.00 0.00 42.46 41.34 2aw4 s ILE 34 CO 0.03 -0.27 1.78 -1.59 -0.00 0.00 0.00 174.94 174.90 2aw4 s LYS 35 N 2.50 4.16 -0.39 0.37 -2.85 -1.25 -4.08 119.74 118.19 2aw4 s LYS 35 Ca 0.10 2.51 0.02 0.00 -1.00 0.00 0.00 55.97 57.61 2aw4 s LYS 35 Cb -0.14 -3.63 0.27 0.00 -2.06 0.00 0.00 37.83 32.27 2aw4 s LYS 35 CO -0.25 -0.82 1.12 -2.37 0.10 0.00 0.00 175.35 173.13 2aw4 n THR 36 N 4.79 0.00 -1.45 3.79 5.66 -0.90 -4.91 114.28 121.26 2aw4 n THR 36 Ca 0.17 -1.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 2aw4 n THR 36 Cb 0.39 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 2aw4 n THR 36 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2aw4 n THR 37 N 1.37 -3.06 -0.35 1.09 -2.24 -0.36 -2.91 114.28 107.82 2aw4 n THR 37 Ca 0.04 1.43 -0.02 0.00 -2.27 0.00 0.00 64.05 63.23 2aw4 n THR 37 Cb 0.68 -2.07 0.12 0.00 -2.10 0.00 0.00 70.33 66.97 2aw4 n THR 37 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2aw4 h LEU 38 N 1.04 1.12 0.18 3.22 3.38 -1.68 0.10 115.31 122.67 2aw4 h LEU 38 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2aw4 h LEU 38 Cb 0.21 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2aw4 h LEU 38 CO 0.00 0.84 -0.11 -0.65 0.09 0.00 0.00 178.44 178.60 2aw4 h PRO 39 N 1.31 -0.27 -0.98 1.13 0.11 -1.89 1.90 132.00 133.30 2aw4 h PRO 39 Ca 0.35 0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.72 2aw4 h PRO 39 Cb -0.10 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.00 2aw4 h PRO 39 CO -0.07 -0.18 0.66 0.87 -0.21 0.00 0.00 178.00 179.07 2aw4 h LYS 40 N -0.28 0.29 0.13 1.05 1.57 -1.64 0.72 116.57 118.42 2aw4 h LYS 40 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2aw4 h LYS 40 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2aw4 h LYS 40 CO 0.02 0.19 -0.06 0.00 -0.57 0.00 0.00 179.45 179.03 2aw4 h ALA 41 N 1.58 -0.53 0.00 3.86 0.00 -0.38 0.66 119.26 124.45 2aw4 h ALA 41 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2aw4 h ALA 41 Cb 1.48 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2aw4 h ALA 41 CO -0.18 -0.52 0.39 -0.22 0.00 0.00 0.00 179.25 178.72 2aw4 h LYS 42 N -0.31 0.00 0.00 0.00 3.64 0.34 0.49 116.57 120.73 2aw4 h LYS 42 Ca -0.02 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 2aw4 h LYS 42 Cb 0.13 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2aw4 h LYS 42 CO 0.03 0.00 -2.29 -1.91 -2.27 0.00 0.00 179.45 173.00 2aw4 n GLU 43 N -2.39 0.69 0.13 1.90 4.07 0.21 -4.65 120.64 120.60 2aw4 n GLU 43 Ca -0.01 -0.05 -0.13 0.00 -0.06 0.00 0.00 57.16 56.90 2aw4 n GLU 43 Cb 0.42 -1.52 -0.06 0.00 -0.06 0.00 0.00 31.44 30.22 2aw4 n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2aw4 h LEU 44 N 0.00 -0.54 -1.37 4.31 5.85 0.54 -3.20 115.31 120.91 2aw4 h LEU 44 Ca -0.42 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.46 2aw4 h LEU 44 Cb 1.95 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 43.16 2aw4 h LEU 44 CO 0.02 -0.29 0.71 0.08 -0.34 0.00 0.00 178.44 178.63 2aw4 h ARG 45 N -0.41 0.00 0.00 1.25 -0.00 -1.82 -0.86 114.38 112.54 2aw4 h ARG 45 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2aw4 h ARG 45 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 2aw4 h ARG 45 CO -0.07 0.00 0.00 0.54 -0.00 0.00 0.00 179.97 180.44 2aw4 n ARG 46 N -3.14 0.00 -0.05 0.08 1.74 -1.21 -1.58 116.66 112.50 2aw4 n ARG 46 Ca 0.07 0.16 -0.05 0.00 -0.77 0.00 0.00 57.85 57.27 2aw4 n ARG 46 Cb 0.85 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 2aw4 n ARG 46 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2aw4 n VAL 47 N -1.51 0.75 0.02 1.55 0.24 -0.33 -4.26 118.33 114.78 2aw4 n VAL 47 Ca 0.05 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 2aw4 n VAL 47 Cb 0.23 -0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 32.02 2aw4 n VAL 47 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2aw4 h VAL 48 N 0.00 0.00 0.03 3.34 2.07 -1.49 -3.21 116.25 116.99 2aw4 h VAL 48 Ca -0.30 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.38 2aw4 h VAL 48 Cb 1.63 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2aw4 h VAL 48 CO 0.02 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.22 2aw4 h GLU 49 N -1.00 -0.11 -0.25 1.57 5.08 -1.58 -0.60 114.58 117.69 2aw4 h GLU 49 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2aw4 h GLU 49 Cb 0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2aw4 h GLU 49 CO 0.03 -0.07 0.23 -1.35 -1.00 0.00 0.00 179.01 176.84 2aw4 h PRO 50 N -0.12 0.00 0.00 2.33 0.11 -1.74 0.56 132.00 133.14 2aw4 h PRO 50 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2aw4 h PRO 50 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2aw4 h PRO 50 CO -0.04 0.00 -0.49 1.28 -0.21 0.00 0.00 178.00 178.54 2aw4 n LEU 51 N -4.01 0.57 0.03 2.35 4.32 -0.84 -3.77 117.00 115.65 2aw4 n LEU 51 Ca 0.03 0.19 -0.19 0.00 -0.02 0.00 0.00 56.01 56.02 2aw4 n LEU 51 Cb 0.37 -0.24 -0.11 0.00 -1.62 0.00 0.00 43.42 41.82 2aw4 n LEU 51 CO 0.30 0.01 0.13 0.40 -1.22 0.00 0.00 177.39 177.01 2aw4 h ILE 52 N 0.00 1.36 -0.23 -0.08 1.08 0.17 -3.26 117.51 116.55 2aw4 h ILE 52 Ca 0.00 -2.22 0.07 0.00 -0.39 0.00 0.00 64.86 62.32 2aw4 h ILE 52 Cb 0.64 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 2aw4 h ILE 52 CO 0.00 0.66 0.47 0.71 -0.69 0.00 0.00 178.15 179.31 2aw4 h THR 53 N 0.11 0.16 0.00 -0.27 1.35 -1.45 -3.22 112.91 109.59 2aw4 h THR 53 Ca -0.12 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.44 2aw4 h THR 53 Cb 1.56 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2aw4 h THR 53 CO 0.17 0.00 1.73 0.18 -0.25 0.00 0.00 175.52 177.35 2aw4 n LEU 54 N -3.23 4.57 -0.02 3.87 4.32 -1.23 -3.92 117.00 121.35 2aw4 n LEU 54 Ca 0.04 -2.72 -0.04 0.00 -0.02 0.00 0.00 56.01 53.27 2aw4 n LEU 54 Cb 0.59 -1.04 -0.01 0.00 -1.62 0.00 0.00 43.42 41.33 2aw4 n LEU 54 CO 0.19 0.80 -0.27 0.00 -1.22 0.00 0.00 177.39 176.89 2aw4 n ALA 55 N 3.61 1.62 -0.28 -1.18 0.00 -1.22 -4.53 120.51 118.54 2aw4 n ALA 55 Ca 0.40 -0.37 0.25 0.00 0.00 0.00 0.00 53.44 53.72 2aw4 n ALA 55 Cb 0.29 0.09 0.44 0.00 0.00 0.00 0.00 19.45 20.27 2aw4 n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aw4 n LYS 56 N -3.58 -0.03 0.20 0.00 4.76 -1.25 -1.13 118.16 117.12 2aw4 n LYS 56 Ca -0.06 0.89 -0.09 0.00 -2.87 0.00 0.00 58.31 56.19 2aw4 n LYS 56 Cb 0.21 -1.69 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 2aw4 n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aw4 h THR 57 N 0.00 0.00 -6.61 -0.18 1.03 -1.87 -3.47 112.91 101.82 2aw4 h THR 57 Ca 0.59 -0.50 -0.53 0.00 -0.01 0.00 0.00 66.41 65.97 2aw4 h THR 57 Cb 1.77 0.00 -0.14 0.00 -1.07 0.00 0.00 68.15 68.71 2aw4 h THR 57 CO -0.41 0.00 -0.83 -0.67 -0.01 0.00 0.00 175.52 173.61 2aw4 n ASP 58 N -4.90 -3.08 0.00 0.00 -0.08 -0.28 -4.86 116.55 103.35 2aw4 n ASP 58 Ca -0.07 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.25 2aw4 n ASP 58 Cb 0.22 -3.06 0.00 0.00 2.34 0.00 0.00 41.12 40.63 2aw4 n ASP 58 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2aw4 n SER 59 N -2.75 0.53 -0.23 1.67 3.41 -1.26 -4.97 113.62 110.01 2aw4 n SER 59 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2aw4 n SER 59 Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 2aw4 n SER 59 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2aw4 h VAL 60 N 0.00 1.26 0.19 -3.33 -1.51 -1.95 -3.10 116.25 107.81 2aw4 h VAL 60 Ca 0.00 -1.03 0.01 0.00 -1.23 0.00 0.00 66.70 64.45 2aw4 h VAL 60 Cb 0.00 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 29.79 2aw4 h VAL 60 CO 0.00 0.39 -0.34 0.00 -1.23 0.00 0.00 177.57 176.38 2aw4 h ALA 61 N 1.04 -0.64 -0.94 5.19 0.00 -1.95 -1.88 119.26 120.08 2aw4 h ALA 61 Ca 0.20 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.18 2aw4 h ALA 61 Cb 0.44 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2aw4 h ALA 61 CO 0.01 -0.91 0.60 -0.97 0.00 0.00 0.00 179.25 177.98 2aw4 h ASN 62 N -0.62 0.74 0.00 0.00 -0.73 -1.81 0.05 115.58 113.21 2aw4 h ASN 62 Ca 0.01 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2aw4 h ASN 62 Cb 0.62 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.11 2aw4 h ASN 62 CO -0.16 0.35 0.00 0.54 -0.37 0.00 0.00 177.43 177.80 2aw4 n ARG 63 N -4.61 0.98 0.15 6.67 3.00 -0.71 -3.85 116.66 118.28 2aw4 n ARG 63 Ca 0.19 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 58.16 2aw4 n ARG 63 Cb 0.47 -1.01 0.49 0.00 0.00 0.00 0.00 32.46 32.41 2aw4 n ARG 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2aw4 h ARG 64 N 0.14 0.00 -1.55 5.56 9.65 -0.93 -3.40 114.38 123.86 2aw4 h ARG 64 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 2aw4 h ARG 64 Cb 0.98 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 29.29 2aw4 h ARG 64 CO 0.00 0.00 -0.49 -1.17 2.80 0.00 0.00 179.97 181.11 2aw4 s LEU 65 N -4.79 -0.97 0.21 3.80 2.96 -1.25 -5.00 118.68 113.64 2aw4 s LEU 65 Ca 0.05 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2aw4 s LEU 65 Cb 0.10 1.33 0.00 0.00 0.50 0.00 0.00 46.19 48.12 2aw4 s LEU 65 CO 0.47 -0.34 0.00 0.00 -1.32 0.00 0.00 176.35 175.16 2aw4 n ALA 66 N 5.37 3.00 1.35 5.97 0.00 -1.26 -4.71 120.51 130.23 2aw4 n ALA 66 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2aw4 n ALA 66 Cb 0.50 0.07 0.58 0.00 0.00 0.00 0.00 19.45 20.60 2aw4 n ALA 66 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2aw4 n PHE 67 N -3.36 0.00 0.02 0.00 0.99 -1.26 -3.86 117.46 109.99 2aw4 n PHE 67 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 2aw4 n PHE 67 Cb 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.49 2aw4 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2aw4 n ALA 68 N -0.95 2.79 1.03 4.37 0.00 -1.26 -4.74 120.51 121.75 2aw4 n ALA 68 Ca 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.55 2aw4 n ALA 68 Cb 0.07 0.29 0.37 0.00 0.00 0.00 0.00 19.45 20.18 2aw4 n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aw4 n ARG 69 N -3.47 0.52 -3.49 0.00 5.12 -1.26 -4.52 116.66 109.55 2aw4 n ARG 69 Ca -0.03 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2aw4 n ARG 69 Cb 0.19 -1.37 -0.05 0.00 -1.16 0.00 0.00 32.46 30.06 2aw4 n ARG 69 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2aw4 s THR 70 N -2.00 -0.13 0.24 0.55 -1.32 -1.25 -4.82 115.64 106.91 2aw4 s THR 70 Ca 0.19 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.57 2aw4 s THR 70 Cb 0.08 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.36 2aw4 s THR 70 CO 0.14 0.00 1.62 -0.09 -2.21 0.00 0.00 174.62 174.09 2aw4 h ARG 71 N 6.35 0.05 -5.97 7.08 2.43 -1.82 -3.39 114.38 119.10 2aw4 h ARG 71 Ca -0.21 -0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.34 2aw4 h ARG 71 Cb 1.15 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 2aw4 h ARG 71 CO 0.15 0.03 -0.35 0.34 -1.51 0.00 0.00 179.97 178.64 2aw4 s ASP 72 N -5.21 6.53 -0.02 -3.80 -1.08 -1.26 -4.83 116.67 107.00 2aw4 s ASP 72 Ca -0.14 0.61 0.01 0.00 -0.52 0.00 0.00 52.55 52.51 2aw4 s ASP 72 Cb 0.22 -2.11 0.04 0.00 -1.46 0.00 0.00 42.92 39.61 2aw4 s ASP 72 CO 0.75 0.22 0.76 0.59 0.52 0.00 0.00 175.17 178.00 2aw4 n ASN 73 N 0.97 1.95 0.00 -0.34 5.03 -1.26 -4.36 115.26 117.26 2aw4 n ASN 73 Ca -0.10 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.29 2aw4 n ASN 73 Cb 0.53 -0.51 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 2aw4 n ASN 73 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2aw4 n GLU 74 N 0.18 0.00 -0.28 3.52 1.02 -1.26 -0.50 120.64 123.32 2aw4 n GLU 74 Ca 0.02 0.46 0.08 0.00 -0.02 0.00 0.00 57.16 57.71 2aw4 n GLU 74 Cb 0.40 -1.39 0.23 0.00 -0.02 0.00 0.00 31.44 30.66 2aw4 n GLU 74 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2aw4 h ILE 75 N 0.00 0.57 -0.31 -3.67 -0.00 -1.92 0.22 117.51 112.40 2aw4 h ILE 75 Ca 0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 64.86 64.67 2aw4 h ILE 75 Cb 0.00 0.12 -0.01 0.00 -0.00 0.00 0.00 36.82 36.93 2aw4 h ILE 75 CO 0.00 0.08 -0.01 1.62 -0.00 0.00 0.00 178.15 179.83 2aw4 h VAL 76 N 0.41 1.26 -0.44 2.19 3.04 -1.84 -1.97 116.25 118.91 2aw4 h VAL 76 Ca 0.47 -0.99 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 2aw4 h VAL 76 Cb 0.80 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 2aw4 h VAL 76 CO -0.47 0.32 0.10 0.00 -1.01 0.00 0.00 177.57 176.51 2aw4 h ALA 77 N 0.83 1.35 0.00 3.17 0.00 0.28 -0.51 119.26 124.39 2aw4 h ALA 77 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2aw4 h ALA 77 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2aw4 h ALA 77 CO 0.02 0.46 -0.12 -0.22 0.00 0.00 0.00 179.25 179.39 2aw4 h LYS 78 N 0.64 0.00 0.01 0.00 1.63 -0.29 -2.98 116.57 115.58 2aw4 h LYS 78 Ca 0.15 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2aw4 h LYS 78 Cb 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2aw4 h LYS 78 CO -0.00 0.12 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.04 2aw4 h LEU 79 N 0.00 -0.01 0.00 5.20 3.38 -0.32 -1.12 115.31 122.44 2aw4 h LEU 79 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aw4 h LEU 79 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2aw4 h LEU 79 CO 0.02 0.00 0.00 2.22 0.09 0.00 0.00 178.44 180.77 2aw4 n PHE 80 N -2.06 0.00 -0.05 1.13 1.16 -1.12 0.77 117.46 117.29 2aw4 n PHE 80 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.52 2aw4 n PHE 80 Cb 0.00 -0.06 -0.07 0.00 -1.61 0.00 0.00 39.48 37.75 2aw4 n PHE 80 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2aw4 n ASN 81 N -1.06 2.87 0.00 5.98 5.03 -1.13 -4.77 115.26 122.18 2aw4 n ASN 81 Ca 0.06 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.48 2aw4 n ASN 81 Cb 0.04 0.38 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 2aw4 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2aw4 n GLU 82 N -2.53 0.00 -0.29 3.52 1.02 -0.47 -4.75 120.64 117.14 2aw4 n GLU 82 Ca -0.17 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.07 2aw4 n GLU 82 Cb 0.77 -0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.44 2aw4 n GLU 82 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2aw4 h LEU 83 N 0.00 0.36 0.48 -4.62 4.07 -1.18 -0.52 115.31 113.91 2aw4 h LEU 83 Ca 0.00 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2aw4 h LEU 83 Cb 0.00 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 2aw4 h LEU 83 CO 0.00 0.08 -0.51 1.23 -1.08 0.00 0.00 178.44 178.16 2aw4 h GLY 84 N 0.47 -1.24 2.00 0.83 0.00 0.10 -2.96 103.07 102.26 2aw4 h GLY 84 Ca 0.50 0.59 0.00 0.00 0.00 0.00 0.00 47.33 48.42 2aw4 h GLY 84 CO -0.46 -0.37 0.00 -0.56 0.00 0.00 0.00 176.54 175.15 2aw4 h PRO 85 N -0.99 0.00 0.00 4.80 0.13 -1.69 -3.32 132.00 130.94 2aw4 h PRO 85 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2aw4 h PRO 85 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2aw4 h PRO 85 CO -0.08 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.23 2aw4 n ARG 86 N -2.76 0.00 -0.10 0.86 1.74 -0.23 -3.24 116.66 112.92 2aw4 n ARG 86 Ca 0.02 0.47 -0.01 0.00 -0.77 0.00 0.00 57.85 57.56 2aw4 n ARG 86 Cb 0.32 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 2aw4 n ARG 86 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2aw4 n PHE 87 N -1.87 0.23 -0.41 -1.55 7.35 -1.24 -4.54 117.46 115.44 2aw4 n PHE 87 Ca 0.00 -0.39 0.37 0.00 -0.76 0.00 0.00 57.45 56.67 2aw4 n PHE 87 Cb 0.00 -0.24 0.71 0.00 0.35 0.00 0.00 39.48 40.30 2aw4 n PHE 87 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2aw4 h ALA 88 N 2.02 3.05 -3.00 3.13 0.00 -1.64 -3.37 119.26 119.46 2aw4 h ALA 88 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2aw4 h ALA 88 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2aw4 h ALA 88 CO 0.07 -1.48 0.00 0.45 0.00 0.00 0.00 179.25 178.29 2aw4 n SER 89 N -4.28 0.00 -4.57 0.00 2.88 -1.26 -4.35 113.62 102.04 2aw4 n SER 89 Ca 0.30 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.71 2aw4 n SER 89 Cb 1.35 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.70 2aw4 n SER 89 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2aw4 n ARG 90 N 0.00 0.21 -0.02 -1.46 5.12 -1.26 -4.79 116.66 114.46 2aw4 n ARG 90 Ca 0.00 -1.45 -0.02 0.00 -1.93 0.00 0.00 57.85 54.45 2aw4 n ARG 90 Cb 0.00 -3.84 -0.01 0.00 -1.16 0.00 0.00 32.46 27.45 2aw4 n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2aw4 h ALA 91 N 11.93 -0.29 -1.72 7.54 0.00 -1.76 -3.43 119.26 131.53 2aw4 h ALA 91 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2aw4 h ALA 91 Cb 1.00 0.82 0.16 0.00 0.00 0.00 0.00 17.79 19.77 2aw4 h ALA 91 CO 1.00 -0.33 -0.98 0.41 0.00 0.00 0.00 179.25 179.36 2aw4 n GLY 92 N -1.04 -2.79 1.24 0.00 0.00 -1.26 -4.68 105.19 96.67 2aw4 n GLY 92 Ca -0.00 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.11 2aw4 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 93 N 2.31 -2.58 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.57 2aw4 n GLY 93 Ca 0.10 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2aw4 n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2aw4 n TYR 94 N -4.06 0.00 -2.10 1.61 4.19 -1.26 -5.10 117.16 110.44 2aw4 n TYR 94 Ca -0.03 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.77 2aw4 n TYR 94 Cb 0.58 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.39 2aw4 n TYR 94 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 2aw4 s THR 95 N 0.00 2.76 0.39 2.97 -4.23 -1.26 -4.57 115.64 111.70 2aw4 s THR 95 Ca 0.00 0.71 0.08 0.00 -1.18 0.00 0.00 61.69 61.30 2aw4 s THR 95 Cb 0.00 -3.45 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 2aw4 s THR 95 CO 0.00 0.15 0.13 0.00 -0.54 0.00 0.00 174.62 174.36 2aw4 s ARG 96 N -1.25 2.19 -0.02 3.99 1.70 -1.16 -4.89 118.95 119.52 2aw4 s ARG 96 Ca 0.52 -1.82 0.06 0.00 -0.47 0.00 0.00 55.73 54.02 2aw4 s ARG 96 Cb -0.40 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.00 2aw4 s ARG 96 CO 0.49 -0.04 -0.19 0.42 -1.08 0.00 0.00 175.30 174.90 2aw4 s ILE 97 N -2.57 1.47 -0.12 4.99 -1.09 -1.26 -1.36 121.20 121.26 2aw4 s ILE 97 Ca 0.39 -0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 58.00 2aw4 s ILE 97 Cb 0.03 -1.22 0.04 0.00 -1.58 0.00 0.00 42.46 39.72 2aw4 s ILE 97 CO 0.22 0.42 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.58 2aw4 s LEU 98 N -0.42 0.90 0.30 2.97 1.02 -1.26 -4.96 118.68 117.23 2aw4 s LEU 98 Ca 0.07 -0.35 -0.30 0.00 0.02 0.00 0.00 54.13 53.57 2aw4 s LEU 98 Cb -0.07 -0.57 -0.12 0.00 0.02 0.00 0.00 46.19 45.45 2aw4 s LEU 98 CO -0.01 -0.21 1.58 2.29 0.02 0.00 0.00 176.35 180.02 2aw4 n LYS 99 N 5.07 2.68 0.00 1.70 0.00 -1.26 -3.49 118.16 122.86 2aw4 n LYS 99 Ca -0.09 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.17 2aw4 n LYS 99 Cb 0.49 -2.72 0.00 0.00 -0.00 0.00 0.00 35.03 32.80 2aw4 n LYS 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aw4 n GLY 101 N 3.69 -0.55 2.10 0.00 0.00 -1.26 -4.72 105.19 104.44 2aw4 n GLY 101 Ca 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.48 2aw4 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aw4 n PHE 102 N 0.03 -3.20 -0.44 1.61 0.99 -0.59 -4.54 117.46 111.32 2aw4 n PHE 102 Ca 0.00 1.88 0.11 0.00 -0.00 0.00 0.00 57.45 59.44 2aw4 n PHE 102 Cb 0.00 -3.22 0.34 0.00 -1.00 0.00 0.00 39.48 35.60 2aw4 n PHE 102 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2aw4 n ARG 103 N 1.21 3.04 -1.74 -1.08 0.63 -0.99 -4.86 116.66 112.88 2aw4 n ARG 103 Ca -0.16 -2.74 0.00 0.00 -0.92 0.00 0.00 57.85 54.03 2aw4 n ARG 103 Cb 0.25 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.48 2aw4 n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2aw4 n ALA 104 N 1.52 -2.23 0.00 5.13 0.00 -1.26 -4.55 120.51 119.12 2aw4 n ALA 104 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2aw4 n ALA 104 Cb 0.71 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2aw4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 105 N 1.45 1.92 2.58 0.00 0.00 -1.26 -4.74 105.19 105.13 2aw4 n GLY 105 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2aw4 n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aw4 s ASP 106 N 0.00 3.15 -0.31 1.61 -4.77 -1.26 -5.05 116.67 110.04 2aw4 s ASP 106 Ca 0.00 -2.55 -0.11 0.00 -3.30 0.00 0.00 52.55 46.60 2aw4 s ASP 106 Cb 0.00 -0.73 -0.10 0.00 -1.09 0.00 0.00 42.92 41.00 2aw4 s ASP 106 CO 0.00 -0.27 1.30 0.59 0.70 0.00 0.00 175.17 177.49 2aw4 n ASN 107 N 3.60 -0.63 -4.35 2.11 5.03 -1.26 -4.02 115.26 115.73 2aw4 n ASN 107 Ca 0.13 -1.68 -0.32 0.00 0.87 0.00 0.00 54.58 53.59 2aw4 n ASN 107 Cb 0.37 -0.82 -0.15 0.00 -1.02 0.00 0.00 39.78 38.16 2aw4 n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2aw4 s ALA 108 N 6.09 2.31 0.70 5.41 0.00 -1.26 -4.84 121.76 130.17 2aw4 s ALA 108 Ca 0.30 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 2aw4 s ALA 108 Cb -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2aw4 s ALA 108 CO 0.09 0.53 1.04 -0.35 0.00 0.00 0.00 175.76 177.06 2aw4 n PRO 109 N 2.44 0.64 0.01 0.00 -0.04 -1.26 -1.55 135.00 135.24 2aw4 n PRO 109 Ca -0.16 0.27 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2aw4 n PRO 109 Cb 0.51 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.69 2aw4 n PRO 109 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2aw4 n MET 110 N -1.85 0.11 0.00 0.54 2.81 -1.26 -3.25 117.12 114.21 2aw4 n MET 110 Ca 0.14 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2aw4 n MET 110 Cb 0.49 -0.62 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 2aw4 n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2aw4 n ALA 111 N -3.51 0.00 -0.63 3.04 0.00 -1.25 -1.23 120.51 116.93 2aw4 n ALA 111 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2aw4 n ALA 111 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2aw4 n ALA 111 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2aw4 n TYR 112 N -0.93 0.00 -1.41 0.00 0.18 -1.23 -3.43 117.16 110.33 2aw4 n TYR 112 Ca 0.00 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.93 2aw4 n TYR 112 Cb 0.00 0.01 -0.08 0.00 -0.38 0.00 0.00 39.34 38.89 2aw4 n TYR 112 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 2aw4 n ILE 113 N 0.00 -1.10 -2.73 -3.48 5.41 -1.25 0.22 119.36 116.44 2aw4 n ILE 113 Ca 0.00 0.95 0.00 0.00 1.00 0.00 0.00 62.75 64.70 2aw4 n ILE 113 Cb 0.05 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 2aw4 n ILE 113 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2aw4 n GLU 114 N -4.11 0.00 0.00 0.38 2.13 -0.46 -3.58 120.64 115.00 2aw4 n GLU 114 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2aw4 n GLU 114 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 2aw4 n GLU 114 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2aw4 n LEU 115 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -2.96 117.00 117.09 2aw4 n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2aw4 n LEU 115 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2aw4 n LEU 115 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 177.39 177.94 2aw4 n VAL 116 N 0.00 0.00 0.00 1.47 3.14 -1.26 -4.84 118.33 116.84 2aw4 n VAL 116 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2aw4 n VAL 116 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2aw4 n VAL 116 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2aw4 n ASP 117 N -2.72 0.00 -3.60 6.55 8.00 -1.26 -4.62 116.55 118.91 2aw4 n ASP 117 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2aw4 n ASP 117 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2aw4 n ASP 117 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2aw4 n ARG 118 N 0.00 3.94 -1.80 -1.24 3.00 -1.26 -5.05 116.66 114.25 2aw4 n ARG 118 Ca 0.00 -4.66 -0.39 0.00 -0.00 0.00 0.00 57.85 52.80 2aw4 n ARG 118 Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 32.46 30.11 2aw4 n ARG 118 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2aw4 s SER 119 N -2.18 5.42 -1.37 6.15 0.01 -1.26 -4.83 113.70 115.64 2aw4 s SER 119 Ca 0.38 2.79 -0.10 0.00 1.31 0.00 0.00 55.95 60.32 2aw4 s SER 119 Cb 0.14 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 2aw4 s SER 119 CO -0.01 -1.47 2.57 -1.84 0.41 0.00 0.00 173.24 172.89 2aw4 n GLU 120 N -0.83 3.02 -4.42 12.44 -0.00 -1.26 -4.84 120.64 124.75 2aw4 n GLU 120 Ca 0.09 -2.07 -0.32 0.00 -0.00 0.00 0.00 57.16 54.87 2aw4 n GLU 120 Cb 0.44 -2.81 -0.10 0.00 -0.00 0.00 0.00 31.44 28.97 2aw4 n GLU 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2aw4 s LYS 121 N 2.84 2.56 -1.20 3.44 -0.14 -1.26 -4.99 119.74 120.98 2aw4 s LYS 121 Ca 0.58 -0.73 -0.07 0.00 -1.36 0.00 0.00 55.97 54.39 2aw4 s LYS 121 Cb 0.15 -2.51 -0.07 0.00 -1.68 0.00 0.00 37.83 33.72 2aw4 s LYS 121 CO -0.05 0.60 2.49 0.00 -0.76 0.00 0.00 175.35 177.63 2aw4 n ALA 122 N 1.47 5.94 -0.97 5.17 0.00 -1.26 -4.89 120.51 125.97 2aw4 n ALA 122 Ca -0.15 -2.63 -0.30 0.00 0.00 0.00 0.00 53.44 50.35 2aw4 n ALA 122 Cb 0.52 -3.15 0.26 0.00 0.00 0.00 0.00 19.45 17.09 2aw4 n ALA 122 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2aw4 s GLU 123 N 2.85 -1.78 0.00 0.00 2.12 -1.26 -5.09 118.70 115.55 2aw4 s GLU 123 Ca 0.53 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.71 2aw4 s GLU 123 Cb 0.14 -1.54 0.00 0.00 0.26 0.00 0.00 34.13 32.99 2aw4 s GLU 123 CO -0.04 -4.06 0.00 0.00 -0.54 0.00 0.00 175.26 170.62 2aw4 n ALA 124 N -4.99 0.00 -3.11 6.30 0.00 -1.26 -5.11 120.51 112.33 2aw4 n ALA 124 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 2aw4 n ALA 124 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 2aw4 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 s ALA 125 N -2.17 3.01 0.27 0.00 0.00 -1.26 -5.09 121.76 116.53 2aw4 s ALA 125 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2aw4 s ALA 125 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2aw4 s ALA 125 CO 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 175.76 175.88 2aw4 s ALA 126 N 0.98 1.24 0.00 0.00 0.00 -1.26 -5.36 121.76 117.36 2aw4 s ALA 126 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.23 2aw4 s ALA 126 Cb -0.14 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.34 2aw4 s ALA 126 CO 0.02 -0.67 0.00 -1.91 0.00 0.00 0.00 175.76 173.20