#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n ASN 2 N 0.00 0.05 -2.93 4.04 5.03 -1.26 -2.86 115.26 117.33 2aw4 n ASN 2 Ca 0.00 1.56 -0.13 0.00 0.87 0.00 0.00 54.58 56.88 2aw4 n ASN 2 Cb 0.00 -0.64 -0.01 0.00 -1.02 0.00 0.00 39.78 38.11 2aw4 n ASN 2 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2aw4 n ILE 3 N -5.26 -0.32 0.00 2.41 5.41 -1.26 -4.94 119.36 115.40 2aw4 n ILE 3 Ca 0.27 -2.08 0.00 0.00 1.00 0.00 0.00 62.75 61.94 2aw4 n ILE 3 Cb 0.89 0.23 0.00 0.00 -0.71 0.00 0.00 39.64 40.05 2aw4 n ILE 3 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2aw4 n ILE 4 N 2.23 0.00 -0.13 1.39 5.41 -1.14 -4.81 119.36 122.31 2aw4 n ILE 4 Ca 0.17 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.74 2aw4 n ILE 4 Cb 0.57 -0.29 -0.12 0.00 -0.71 0.00 0.00 39.64 39.08 2aw4 n ILE 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2aw4 n LYS 5 N -2.44 0.63 0.00 0.38 5.02 -1.26 -3.63 118.16 116.87 2aw4 n LYS 5 Ca 0.00 0.15 0.05 0.00 -2.02 0.00 0.00 58.31 56.49 2aw4 n LYS 5 Cb 0.00 -1.51 0.28 0.00 -0.02 0.00 0.00 35.03 33.78 2aw4 n LYS 5 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2aw4 n GLN 6 N -3.28 0.28 0.08 1.97 3.00 -1.26 -2.38 117.38 115.79 2aw4 n GLN 6 Ca -0.45 0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.45 2aw4 n GLN 6 Cb 0.98 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.69 2aw4 n GLN 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2aw4 h LEU 7 N 0.00 0.37 -0.21 1.08 7.12 -1.87 -3.29 115.31 118.51 2aw4 h LEU 7 Ca 0.00 -0.30 -0.21 0.00 0.13 0.00 0.00 57.88 57.50 2aw4 h LEU 7 Cb 0.01 -0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.03 2aw4 h LEU 7 CO 0.00 1.11 -0.71 -0.33 -0.13 0.00 0.00 178.44 178.37 2aw4 h GLU 8 N 0.15 0.81 -1.08 1.25 3.07 -1.68 -1.97 114.58 115.15 2aw4 h GLU 8 Ca -0.06 -0.62 0.31 0.00 -0.50 0.00 0.00 59.36 58.49 2aw4 h GLU 8 Cb 1.55 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 29.53 2aw4 h GLU 8 CO 0.15 1.23 0.77 1.96 -1.40 0.00 0.00 179.01 181.72 2aw4 h GLN 9 N 0.57 0.04 0.07 2.33 4.20 -1.72 -1.59 115.11 119.02 2aw4 h GLN 9 Ca -0.03 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.37 2aw4 h GLN 9 Cb 1.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 2aw4 h GLN 9 CO 0.15 0.03 -1.67 0.93 -0.67 0.00 0.00 178.83 177.59 2aw4 h GLU 10 N 0.04 0.16 -2.43 1.46 5.08 -1.59 -3.34 114.58 113.96 2aw4 h GLU 10 Ca 0.52 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 58.30 2aw4 h GLU 10 Cb 2.00 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 31.32 2aw4 h GLU 10 CO -0.04 1.13 0.98 0.00 -1.00 0.00 0.00 179.01 180.09 2aw4 n GLN 11 N -3.90 2.30 0.00 2.33 10.64 -0.60 -2.83 117.38 125.33 2aw4 n GLN 11 Ca -0.32 -1.27 0.00 0.00 -1.83 0.00 0.00 57.00 53.58 2aw4 n GLN 11 Cb 0.89 -2.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 2aw4 n GLN 11 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 2aw4 n MET 12 N 2.94 0.00 -3.07 2.61 2.81 -1.24 -4.95 117.12 116.22 2aw4 n MET 12 Ca 0.49 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.95 2aw4 n MET 12 Cb 0.62 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.07 2aw4 n MET 12 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2aw4 s LYS 13 N -1.37 3.25 0.00 0.03 2.36 -1.13 -4.30 119.74 118.58 2aw4 s LYS 13 Ca 0.00 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 2aw4 s LYS 13 Cb 0.00 -4.01 0.00 0.00 -1.05 0.00 0.00 37.83 32.77 2aw4 s LYS 13 CO 0.00 -1.15 0.51 0.94 1.55 0.00 0.00 175.35 177.20 2aw4 n GLN 14 N 6.46 0.00 -0.89 4.03 -0.06 -1.26 -4.81 117.38 120.85 2aw4 n GLN 14 Ca -0.02 -0.26 -0.16 0.00 -2.00 0.00 0.00 57.00 54.55 2aw4 n GLN 14 Cb 0.47 -0.15 0.12 0.00 -4.06 0.00 0.00 30.24 26.62 2aw4 n GLN 14 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2aw4 n ASP 15 N 0.00 -0.52 -3.37 1.69 9.92 -1.26 -5.05 116.55 117.96 2aw4 n ASP 15 Ca 0.00 -1.13 -0.26 0.00 -0.53 0.00 0.00 54.79 52.87 2aw4 n ASP 15 Cb 0.54 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 40.38 2aw4 n ASP 15 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2aw4 n VAL 16 N -3.29 0.16 0.00 2.53 0.31 -1.26 -5.08 118.33 111.71 2aw4 n VAL 16 Ca 0.09 -4.26 0.00 0.00 -0.01 0.00 0.00 64.34 60.16 2aw4 n VAL 16 Cb 0.32 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2aw4 n VAL 16 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2aw4 n PRO 17 N 1.66 0.00 -0.01 5.55 -0.02 -1.26 -4.82 135.00 136.10 2aw4 n PRO 17 Ca 0.25 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.74 2aw4 n PRO 17 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.92 2aw4 n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2aw4 n SER 18 N 0.00 4.21 0.00 2.55 3.41 -1.26 -4.55 113.62 117.98 2aw4 n SER 18 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2aw4 n SER 18 Cb 0.00 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 2aw4 n SER 18 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2aw4 n PHE 19 N -1.79 0.00 -2.68 7.33 3.01 -1.26 -4.62 117.46 117.45 2aw4 n PHE 19 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.41 2aw4 n PHE 19 Cb 0.27 -0.97 0.03 0.00 -0.01 0.00 0.00 39.48 38.80 2aw4 n PHE 19 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2aw4 s ARG 20 N 0.00 0.28 -0.21 -1.08 6.06 -1.26 -5.15 118.95 117.60 2aw4 s ARG 20 Ca 0.00 -0.28 -0.07 0.00 -2.50 0.00 0.00 55.73 52.88 2aw4 s ARG 20 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 34.95 34.96 2aw4 s ARG 20 CO 0.00 -0.35 0.05 -1.25 -2.50 0.00 0.00 175.30 171.25 2aw4 s PRO 21 N 0.97 3.79 -0.64 5.12 0.04 -1.26 -5.03 135.00 137.98 2aw4 s PRO 21 Ca 0.24 -0.43 -0.08 0.00 0.04 0.00 0.00 61.00 60.78 2aw4 s PRO 21 Cb 0.12 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.61 2aw4 s PRO 21 CO -0.10 0.08 0.51 0.20 0.04 0.00 0.00 177.00 177.72 2aw4 s GLY 22 N 0.89 2.43 0.00 0.56 0.00 -1.20 -5.04 107.32 104.96 2aw4 s GLY 22 Ca 0.03 -3.09 0.00 0.00 0.00 0.00 0.00 44.72 41.66 2aw4 s GLY 22 CO 0.02 1.15 0.00 1.22 0.00 0.00 0.00 173.10 175.49 2aw4 n ASP 23 N 4.00 0.00 0.00 1.64 8.00 -1.26 -3.11 116.55 125.82 2aw4 n ASP 23 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2aw4 n ASP 23 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2aw4 n ASP 23 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2aw4 n THR 24 N 0.00 0.00 -1.59 -3.53 -1.04 0.18 -4.52 114.28 103.78 2aw4 n THR 24 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2aw4 n THR 24 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 2aw4 n THR 24 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2aw4 s VAL 25 N 0.00 3.02 0.00 12.58 1.01 -1.25 -4.27 120.40 131.48 2aw4 s VAL 25 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2aw4 s VAL 25 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 2aw4 s VAL 25 CO 0.00 -0.04 1.41 -0.62 0.00 0.00 0.00 175.10 175.86 2aw4 n GLU 26 N 8.59 0.61 -3.31 2.72 -0.58 -1.19 -1.71 120.64 125.77 2aw4 n GLU 26 Ca 0.45 -0.29 -0.29 0.00 -0.42 0.00 0.00 57.16 56.61 2aw4 n GLU 26 Cb 0.44 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 2aw4 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2aw4 s VAL 27 N 2.27 5.00 -0.30 2.62 0.11 -1.26 -4.32 120.40 124.51 2aw4 s VAL 27 Ca 0.19 0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 59.18 2aw4 s VAL 27 Cb 0.09 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 2aw4 s VAL 27 CO 0.00 -0.32 0.61 -0.54 -3.33 0.00 0.00 175.10 171.52 2aw4 s LYS 28 N -3.51 3.91 -0.49 1.54 1.02 -1.26 -1.73 119.74 119.22 2aw4 s LYS 28 Ca 0.45 0.28 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 2aw4 s LYS 28 Cb -0.11 -3.72 0.03 0.00 -0.52 0.00 0.00 37.83 33.51 2aw4 s LYS 28 CO 0.29 -0.54 1.14 0.08 -0.92 0.00 0.00 175.35 175.39 2aw4 s VAL 29 N 2.55 4.20 -0.14 3.17 1.01 -1.25 -4.55 120.40 125.40 2aw4 s VAL 29 Ca 0.24 1.17 -0.38 0.00 0.00 0.00 0.00 61.98 63.02 2aw4 s VAL 29 Cb -0.15 -4.61 -0.15 0.00 0.00 0.00 0.00 36.38 31.47 2aw4 s VAL 29 CO 0.11 -1.04 1.71 0.79 0.00 0.00 0.00 175.10 176.67 2aw4 n TRP 30 N 7.88 2.06 -4.73 5.22 7.02 -1.26 -3.39 117.44 130.24 2aw4 n TRP 30 Ca 0.11 0.39 -0.33 0.00 -1.02 0.00 0.00 57.50 56.65 2aw4 n TRP 30 Cb 0.49 -2.50 -0.14 0.00 -2.42 0.00 0.00 31.31 26.74 2aw4 n TRP 30 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2aw4 s VAL 31 N 3.03 3.23 0.37 -0.99 1.01 0.21 -1.26 120.40 125.99 2aw4 s VAL 31 Ca 0.93 -0.62 0.13 0.00 0.00 0.00 0.00 61.98 62.43 2aw4 s VAL 31 Cb -0.92 -2.34 0.35 0.00 0.00 0.00 0.00 36.38 33.46 2aw4 s VAL 31 CO 0.57 0.54 1.81 0.58 0.00 0.00 0.00 175.10 178.60 2aw4 h VAL 32 N 5.07 0.67 0.00 2.92 2.07 -1.70 0.26 116.25 125.53 2aw4 h VAL 32 Ca -0.32 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2aw4 h VAL 32 Cb 1.20 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2aw4 h VAL 32 CO 0.55 0.10 0.00 1.21 0.02 0.00 0.00 177.57 179.45 2aw4 n GLU 33 N -4.63 0.00 0.00 1.57 0.00 -1.26 -3.80 120.64 112.52 2aw4 n GLU 33 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.38 2aw4 n GLU 33 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.11 2aw4 n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2aw4 n GLY 34 N 0.00 -0.66 1.26 8.31 0.00 -1.21 -5.05 105.19 107.84 2aw4 n GLY 34 Ca 0.00 0.35 0.16 0.00 0.00 0.00 0.00 46.02 46.53 2aw4 n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aw4 n SER 35 N 0.00 -7.56 -4.81 1.61 2.88 -1.26 -4.09 113.62 100.40 2aw4 n SER 35 Ca 0.00 0.85 -0.27 0.00 -1.33 0.00 0.00 58.87 58.12 2aw4 n SER 35 Cb 0.00 -4.04 -0.05 0.00 -0.75 0.00 0.00 64.21 59.37 2aw4 n SER 35 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2aw4 s LYS 36 N -2.97 2.23 4.88 -1.46 -0.14 -1.26 -4.92 119.74 116.10 2aw4 s LYS 36 Ca 0.00 -2.04 0.00 0.00 -1.36 0.00 0.00 55.97 52.57 2aw4 s LYS 36 Cb 0.00 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2aw4 s LYS 36 CO 0.00 -0.36 0.00 1.63 -0.76 0.00 0.00 175.35 175.86 2aw4 n LYS 37 N -1.44 0.00 0.00 1.68 4.76 -1.26 -4.52 118.16 117.38 2aw4 n LYS 37 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2aw4 n LYS 37 Cb 0.65 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.84 2aw4 n LYS 37 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2aw4 n ARG 38 N 14.00 1.08 -1.40 1.97 3.00 -1.26 -4.97 116.66 129.08 2aw4 n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2aw4 n ARG 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2aw4 n ARG 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2aw4 n LEU 39 N 0.00 -4.47 -0.03 6.15 4.32 -1.26 -4.77 117.00 116.95 2aw4 n LEU 39 Ca 0.00 2.52 -0.06 0.00 -0.02 0.00 0.00 56.01 58.45 2aw4 n LEU 39 Cb 0.00 -2.22 -0.02 0.00 -1.62 0.00 0.00 43.42 39.56 2aw4 n LEU 39 CO 0.00 -0.25 -0.42 1.67 -1.22 0.00 0.00 177.39 177.17 2aw4 n GLN 40 N -0.06 0.26 -1.38 3.23 0.00 -1.26 -4.57 117.38 113.61 2aw4 n GLN 40 Ca 0.00 0.11 0.18 0.00 -0.00 0.00 0.00 57.00 57.29 2aw4 n GLN 40 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 30.24 29.23 2aw4 n GLN 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2aw4 n ALA 41 N -3.92 -3.68 -3.20 1.69 0.00 -1.26 -3.35 120.51 106.79 2aw4 n ALA 41 Ca -0.10 0.51 0.04 0.00 0.00 0.00 0.00 53.44 53.89 2aw4 n ALA 41 Cb 0.31 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 2aw4 n ALA 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2aw4 s PHE 42 N -2.53 -0.76 0.06 0.00 -0.12 -1.25 -4.61 117.98 108.78 2aw4 s PHE 42 Ca 0.00 0.91 0.00 0.00 -0.05 0.00 0.00 56.93 57.79 2aw4 s PHE 42 Cb 0.00 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 2aw4 s PHE 42 CO 0.00 -0.41 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.51 2aw4 s GLU 43 N 2.82 0.63 0.00 1.99 0.41 0.08 -4.70 118.70 119.93 2aw4 s GLU 43 Ca 0.03 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 2aw4 s GLU 43 Cb -0.10 0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.28 2aw4 s GLU 43 CO -0.14 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 2aw4 n GLY 44 N 0.39 6.60 2.86 -1.39 0.00 -1.22 0.65 105.19 113.08 2aw4 n GLY 44 Ca -0.16 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 2aw4 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw4 s VAL 45 N 0.15 0.90 0.16 1.61 1.01 -1.24 -4.63 120.40 118.37 2aw4 s VAL 45 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 61.98 61.27 2aw4 s VAL 45 Cb 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 36.38 35.16 2aw4 s VAL 45 CO 0.00 0.19 0.89 0.55 0.00 0.00 0.00 175.10 176.73 2aw4 n VAL 46 N 4.96 1.27 -4.13 2.92 3.14 -0.71 -3.74 118.33 122.05 2aw4 n VAL 46 Ca -0.11 -0.32 -0.27 0.00 -2.96 0.00 0.00 64.34 60.68 2aw4 n VAL 46 Cb 0.49 -0.39 -0.04 0.00 -1.06 0.00 0.00 33.84 32.84 2aw4 n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2aw4 s ILE 47 N -0.57 1.69 0.00 1.55 1.01 -0.69 -4.01 121.20 120.18 2aw4 s ILE 47 Ca 0.71 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2aw4 s ILE 47 Cb -0.94 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2aw4 s ILE 47 CO 0.56 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.50 2aw4 n ALA 48 N -1.54 2.44 -0.47 9.38 0.00 -1.26 -3.15 120.51 125.91 2aw4 n ALA 48 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2aw4 n ALA 48 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2aw4 n ALA 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2aw4 n ILE 49 N -1.96 -2.22 -3.38 0.00 5.41 -1.25 0.49 119.36 116.44 2aw4 n ILE 49 Ca 0.00 0.68 0.03 0.00 1.00 0.00 0.00 62.75 64.46 2aw4 n ILE 49 Cb 0.02 -1.39 -0.05 0.00 -0.71 0.00 0.00 39.64 37.50 2aw4 n ILE 49 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2aw4 s ARG 50 N -4.15 0.08 0.00 0.38 0.52 -1.26 -4.67 118.95 109.85 2aw4 s ARG 50 Ca 0.00 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 2aw4 s ARG 50 Cb 0.00 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.55 2aw4 s ARG 50 CO 0.00 -0.02 0.00 0.27 0.02 0.00 0.00 175.30 175.57 2aw4 n ASN 51 N 4.07 0.00 0.00 0.23 0.23 -1.26 -1.53 115.26 116.99 2aw4 n ASN 51 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2aw4 n ASN 51 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2aw4 n ASN 51 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2aw4 n ARG 52 N 0.00 0.00 -3.35 -3.83 0.63 -1.26 -4.35 116.66 104.51 2aw4 n ARG 52 Ca 0.00 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.47 2aw4 n ARG 52 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2aw4 n ARG 52 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2aw4 s GLY 53 N 0.00 2.79 0.00 5.14 0.00 -1.26 -4.75 107.32 109.23 2aw4 s GLY 53 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 44.72 41.28 2aw4 s GLY 53 CO 0.00 1.27 0.00 1.04 0.00 0.00 0.00 173.10 175.41 2aw4 n LEU 54 N 3.67 0.00 0.00 0.66 4.77 -1.26 -5.02 117.00 119.82 2aw4 n LEU 54 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2aw4 n LEU 54 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2aw4 n LEU 54 CO 0.36 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.99 2aw4 n HIS 55 N 0.00 0.00 0.00 -1.77 -0.00 -1.26 -4.12 115.22 108.07 2aw4 n HIS 55 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2aw4 n HIS 55 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2aw4 n HIS 55 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2aw4 n SER 56 N 0.00 0.00 -4.49 0.26 2.88 -1.26 -4.55 113.62 106.46 2aw4 n SER 56 Ca 0.00 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.08 2aw4 n SER 56 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2aw4 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aw4 n ALA 57 N 1.92 1.04 -1.28 -1.46 0.00 -1.26 -4.67 120.51 114.81 2aw4 n ALA 57 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 2aw4 n ALA 57 Cb 0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 19.45 16.71 2aw4 n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2aw4 n PHE 58 N 11.26 1.33 -1.65 0.00 0.99 -1.26 -4.65 117.46 123.47 2aw4 n PHE 58 Ca 0.42 -1.87 -0.20 0.00 -0.00 0.00 0.00 57.45 55.80 2aw4 n PHE 58 Cb 0.29 -1.30 -0.06 0.00 -1.00 0.00 0.00 39.48 37.41 2aw4 n PHE 58 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2aw4 s THR 59 N -1.77 3.08 0.00 4.37 2.01 -1.26 -3.40 115.64 118.68 2aw4 s THR 59 Ca 0.53 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2aw4 s THR 59 Cb 0.34 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.66 2aw4 s THR 59 CO -0.14 -0.18 0.00 1.33 -0.69 0.00 0.00 174.62 174.94 2aw4 n VAL 60 N 8.47 0.00 -3.13 3.82 0.24 -1.25 -4.83 118.33 121.65 2aw4 n VAL 60 Ca 0.43 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.70 2aw4 n VAL 60 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 2aw4 n VAL 60 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aw4 n ARG 61 N 0.00 -1.41 -1.68 7.34 1.74 -1.22 -2.30 116.66 119.13 2aw4 n ARG 61 Ca 0.00 1.45 -0.43 0.00 -0.77 0.00 0.00 57.85 58.10 2aw4 n ARG 61 Cb 0.00 -5.36 -0.03 0.00 -1.02 0.00 0.00 32.46 26.05 2aw4 n ARG 61 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2aw4 s LYS 62 N -3.19 3.20 0.19 5.56 1.02 -0.58 -3.83 119.74 122.11 2aw4 s LYS 62 Ca 0.02 1.94 -0.26 0.00 0.02 0.00 0.00 55.97 57.69 2aw4 s LYS 62 Cb -0.00 -4.34 -0.08 0.00 -0.52 0.00 0.00 37.83 32.89 2aw4 s LYS 62 CO 0.77 -2.03 0.81 0.42 -0.92 0.00 0.00 175.35 174.40 2aw4 s ILE 63 N 7.94 4.33 -0.28 2.17 1.09 0.13 -3.92 121.20 132.66 2aw4 s ILE 63 Ca 0.97 1.73 0.03 0.00 -1.10 0.00 0.00 60.65 62.28 2aw4 s ILE 63 Cb -0.31 -4.14 0.07 0.00 -1.06 0.00 0.00 42.46 37.02 2aw4 s ILE 63 CO 0.35 0.47 -0.05 -0.55 -0.10 0.00 0.00 174.94 175.07 2aw4 s SER 64 N -1.22 4.39 -0.12 3.58 0.15 -1.26 -3.00 113.70 116.22 2aw4 s SER 64 Ca 0.38 -1.57 -0.08 0.00 0.70 0.00 0.00 55.95 55.38 2aw4 s SER 64 Cb -0.23 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 2aw4 s SER 64 CO 0.27 -0.26 0.16 0.21 1.20 0.00 0.00 173.24 174.81 2aw4 s ASN 65 N 1.13 6.41 -0.14 5.45 3.84 -1.26 -4.27 114.94 126.11 2aw4 s ASN 65 Ca -0.02 0.49 0.16 0.00 0.21 0.00 0.00 52.86 53.70 2aw4 s ASN 65 Cb -0.19 -2.09 0.38 0.00 -0.55 0.00 0.00 41.25 38.80 2aw4 s ASN 65 CO -0.07 0.38 1.27 0.61 -2.79 0.00 0.00 177.10 176.50 2aw4 n GLY 66 N 2.12 4.29 3.51 1.21 0.00 -1.26 -1.52 105.19 113.54 2aw4 n GLY 66 Ca -0.19 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 2aw4 n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aw4 n GLU 67 N -0.87 1.09 0.00 1.61 0.28 -1.26 -3.64 120.64 117.84 2aw4 n GLU 67 Ca 0.17 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2aw4 n GLU 67 Cb 0.72 -2.77 0.00 0.00 1.43 0.00 0.00 31.44 30.81 2aw4 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2aw4 n GLY 68 N 6.25 0.58 0.00 -1.84 0.00 -1.26 -4.51 105.19 104.40 2aw4 n GLY 68 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2aw4 n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2aw4 n VAL 69 N 0.00 0.00 -3.50 1.61 0.31 -1.24 -5.15 118.33 110.36 2aw4 n VAL 69 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2aw4 n VAL 69 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2aw4 n VAL 69 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2aw4 s GLU 70 N 1.10 0.56 0.00 5.55 2.12 -1.26 -4.74 118.70 122.02 2aw4 s GLU 70 Ca 0.00 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.61 2aw4 s GLU 70 Cb 0.00 0.73 0.00 0.00 0.26 0.00 0.00 34.13 35.12 2aw4 s GLU 70 CO 0.00 -0.34 0.00 0.54 -0.54 0.00 0.00 175.26 174.92 2aw4 n ARG 71 N 5.44 0.00 -0.36 4.30 5.12 -0.58 -5.06 116.66 125.53 2aw4 n ARG 71 Ca -0.08 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.72 2aw4 n ARG 71 Cb 0.50 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2aw4 n ARG 71 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2aw4 n VAL 72 N -1.16 0.25 -4.89 1.55 0.24 -1.26 -4.74 118.33 108.32 2aw4 n VAL 72 Ca 0.00 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.34 61.84 2aw4 n VAL 72 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 2aw4 n VAL 72 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2aw4 s PHE 73 N -0.42 2.71 -0.86 6.34 5.99 -1.16 -4.98 117.98 125.59 2aw4 s PHE 73 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 56.93 56.71 2aw4 s PHE 73 Cb -0.19 -1.70 0.26 0.00 0.00 0.00 0.00 43.02 41.39 2aw4 s PHE 73 CO 0.17 0.01 0.98 1.04 -0.00 0.00 0.00 175.22 177.41 2aw4 n GLN 74 N 2.79 3.14 -2.66 10.12 1.13 -1.26 -0.69 117.38 129.95 2aw4 n GLN 74 Ca -0.18 -4.57 -0.43 0.00 -1.94 0.00 0.00 57.00 49.89 2aw4 n GLN 74 Cb 0.52 -2.39 -0.03 0.00 0.11 0.00 0.00 30.24 28.46 2aw4 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2aw4 s THR 75 N -2.18 4.20 0.19 5.09 2.01 -0.97 -4.52 115.64 119.46 2aw4 s THR 75 Ca 0.33 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 63.19 2aw4 s THR 75 Cb 0.04 -4.62 0.04 0.00 0.01 0.00 0.00 72.50 67.98 2aw4 s THR 75 CO -0.02 -1.13 0.10 1.41 -0.69 0.00 0.00 174.62 174.29 2aw4 n HIS 76 N 7.91 -1.67 -0.09 4.92 8.25 -1.25 -3.90 115.22 129.39 2aw4 n HIS 76 Ca 0.08 -0.06 -0.18 0.00 -0.26 0.00 0.00 57.72 57.31 2aw4 n HIS 76 Cb 0.49 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 2aw4 n HIS 76 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2aw4 n SER 77 N -2.30 1.84 -3.76 0.41 7.64 -1.22 -4.70 113.62 111.53 2aw4 n SER 77 Ca 0.02 0.11 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 2aw4 n SER 77 Cb 0.07 -0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 2aw4 n SER 77 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2aw4 n PRO 78 N -3.54 0.00 0.00 1.43 -0.02 -1.26 -4.71 135.00 126.90 2aw4 n PRO 78 Ca -0.36 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2aw4 n PRO 78 Cb 0.80 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 2aw4 n PRO 78 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2aw4 n VAL 79 N 4.02 0.00 -2.32 -1.45 0.31 -1.26 -5.00 118.33 112.64 2aw4 n VAL 79 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.02 2aw4 n VAL 79 Cb 0.22 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.16 2aw4 n VAL 79 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2aw4 n VAL 80 N 0.00 5.41 0.00 2.52 3.14 -1.26 -4.69 118.33 123.45 2aw4 n VAL 80 Ca 0.00 -5.18 0.00 0.00 -2.96 0.00 0.00 64.34 56.20 2aw4 n VAL 80 Cb 0.00 -1.64 0.00 0.00 -1.06 0.00 0.00 33.84 31.14 2aw4 n VAL 80 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2aw4 n ASP 81 N 0.36 0.00 -2.26 6.55 5.75 -1.26 -2.36 116.55 123.33 2aw4 n ASP 81 Ca 0.52 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 55.29 2aw4 n ASP 81 Cb 0.27 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2aw4 n ASP 81 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2aw4 n SER 82 N 0.00 0.78 -0.19 -1.12 3.41 -0.39 -4.73 113.62 111.38 2aw4 n SER 82 Ca 0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 2aw4 n SER 82 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2aw4 n SER 82 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2aw4 n ILE 83 N 2.60 -0.51 0.37 -1.33 5.41 -1.26 -4.74 119.36 119.90 2aw4 n ILE 83 Ca 0.04 0.19 0.12 0.00 1.00 0.00 0.00 62.75 64.11 2aw4 n ILE 83 Cb 0.12 -0.31 0.52 0.00 -0.71 0.00 0.00 39.64 39.25 2aw4 n ILE 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2aw4 h SER 84 N 0.05 0.00 0.00 4.38 0.02 -1.86 -3.39 113.55 112.74 2aw4 h SER 84 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2aw4 h SER 84 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2aw4 h SER 84 CO 0.00 0.00 0.00 0.52 -1.14 0.00 0.00 176.83 176.21 2aw4 n VAL 85 N -2.32 0.00 -2.86 2.27 0.31 -1.26 -4.29 118.33 110.18 2aw4 n VAL 85 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 2aw4 n VAL 85 Cb 0.22 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.12 2aw4 n VAL 85 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2aw4 s LYS 86 N 0.00 4.27 -0.27 5.55 1.02 -1.26 -4.99 119.74 124.06 2aw4 s LYS 86 Ca 0.00 1.05 0.03 0.00 0.02 0.00 0.00 55.97 57.06 2aw4 s LYS 86 Cb 0.00 -3.60 0.06 0.00 -0.52 0.00 0.00 37.83 33.78 2aw4 s LYS 86 CO 0.00 -0.40 -0.09 1.03 -0.92 0.00 0.00 175.35 174.97 2aw4 s ARG 87 N 2.41 2.09 -0.16 1.68 3.00 -1.26 -4.60 118.95 122.10 2aw4 s ARG 87 Ca 0.38 -1.37 0.05 0.00 0.00 0.00 0.00 55.73 54.79 2aw4 s ARG 87 Cb -0.16 -2.89 -0.13 0.00 0.00 0.00 0.00 34.95 31.77 2aw4 s ARG 87 CO 0.11 -0.62 -0.09 -2.13 0.00 0.00 0.00 175.30 172.57 2aw4 n ARG 88 N 4.44 0.87 -2.79 3.54 3.00 -1.26 -4.86 116.66 119.60 2aw4 n ARG 88 Ca -0.12 0.07 -0.43 0.00 -0.00 0.00 0.00 57.85 57.37 2aw4 n ARG 88 Cb 0.42 -1.35 -0.04 0.00 0.00 0.00 0.00 32.46 31.49 2aw4 n ARG 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2aw4 s GLY 89 N -5.36 1.37 0.00 5.14 0.00 -1.26 -4.99 107.32 102.22 2aw4 s GLY 89 Ca -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2aw4 s GLY 89 CO 0.45 2.13 0.00 0.00 0.00 0.00 0.00 173.10 175.69 2aw4 n ALA 90 N 7.60 0.00 -2.00 3.20 0.00 -1.26 -4.22 120.51 123.83 2aw4 n ALA 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2aw4 n ALA 90 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2aw4 n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2aw4 n VAL 91 N 0.00 0.00 -3.21 0.00 0.31 -1.18 -3.26 118.33 110.99 2aw4 n VAL 91 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2aw4 n VAL 91 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2aw4 n VAL 91 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2aw4 n ARG 92 N 0.00 -1.99 -3.64 5.55 0.63 -1.26 -4.26 116.66 111.69 2aw4 n ARG 92 Ca 0.00 1.66 -0.37 0.00 -0.92 0.00 0.00 57.85 58.22 2aw4 n ARG 92 Cb 0.00 -3.27 -0.10 0.00 0.45 0.00 0.00 32.46 29.54 2aw4 n ARG 92 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2aw4 s LYS 93 N -2.26 4.00 0.00 -0.14 1.02 -1.26 -4.66 119.74 116.44 2aw4 s LYS 93 Ca 0.27 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.96 2aw4 s LYS 93 Cb -0.04 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 2aw4 s LYS 93 CO 0.73 -0.04 0.00 0.00 -0.92 0.00 0.00 175.35 175.12 2aw4 n ALA 94 N 4.61 0.00 -0.96 5.17 0.00 -1.26 -3.36 120.51 124.71 2aw4 n ALA 94 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 2aw4 n ALA 94 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 2aw4 n ALA 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2aw4 n LYS 95 N 0.00 2.16 0.00 0.00 4.81 -1.26 -5.01 118.16 118.86 2aw4 n LYS 95 Ca 0.00 -2.46 0.00 0.00 -0.87 0.00 0.00 58.31 54.98 2aw4 n LYS 95 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.08 2aw4 n LYS 95 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2aw4 n LEU 96 N -0.57 0.00 -1.81 3.14 7.94 -1.21 -4.80 117.00 119.68 2aw4 n LEU 96 Ca 0.48 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 55.19 2aw4 n LEU 96 Cb 0.99 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.94 2aw4 n LEU 96 CO 0.56 -0.74 -0.09 -1.22 -1.11 0.00 0.00 177.39 174.78 2aw4 n TYR 97 N -0.98 -0.53 -1.96 1.96 4.02 -1.26 -3.77 117.16 114.63 2aw4 n TYR 97 Ca 0.00 0.33 -0.01 0.00 -0.01 0.00 0.00 57.90 58.21 2aw4 n TYR 97 Cb 0.00 -0.78 0.01 0.00 -0.02 0.00 0.00 39.34 38.55 2aw4 n TYR 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2aw4 n TYR 98 N -0.21 -0.19 -2.39 -0.72 4.02 -1.26 -4.96 117.16 111.45 2aw4 n TYR 98 Ca 0.06 0.08 -0.40 0.00 -0.01 0.00 0.00 57.90 57.62 2aw4 n TYR 98 Cb 0.13 -2.38 0.02 0.00 -0.02 0.00 0.00 39.34 37.09 2aw4 n TYR 98 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2aw4 n LEU 99 N -1.39 7.43 -4.48 7.72 7.94 -1.25 -4.91 117.00 128.06 2aw4 n LEU 99 Ca -0.02 -5.19 -0.44 0.00 -1.11 0.00 0.00 56.01 49.26 2aw4 n LEU 99 Cb 0.51 -1.16 -0.01 0.00 0.53 0.00 0.00 43.42 43.30 2aw4 n LEU 99 CO 0.05 1.97 1.34 0.00 -1.11 0.00 0.00 177.39 179.64 2aw4 s ARG 100 N -4.03 3.88 -0.36 1.96 1.70 -1.26 -4.77 118.95 116.06 2aw4 s ARG 100 Ca 0.44 -2.13 0.06 0.00 -0.47 0.00 0.00 55.73 53.62 2aw4 s ARG 100 Cb 0.26 -5.10 0.45 0.00 -0.57 0.00 0.00 34.95 29.99 2aw4 s ARG 100 CO -0.21 -1.87 1.24 0.39 -1.08 0.00 0.00 175.30 173.78 2aw4 n GLU 101 N 6.53 3.49 -1.38 3.89 1.02 -1.26 -5.03 120.64 127.91 2aw4 n GLU 101 Ca 0.34 -4.19 -0.27 0.00 -0.02 0.00 0.00 57.16 53.02 2aw4 n GLU 101 Cb 0.46 -2.27 -0.18 0.00 -0.02 0.00 0.00 31.44 29.42 2aw4 n GLU 101 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2aw4 n ARG 102 N -0.66 0.00 -3.07 3.49 1.74 -1.26 -4.77 116.66 112.13 2aw4 n ARG 102 Ca 0.44 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.54 2aw4 n ARG 102 Cb 0.86 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 31.20 2aw4 n ARG 102 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2aw4 s THR 103 N 3.12 -0.72 -0.34 0.55 2.01 -1.26 -5.15 115.64 113.85 2aw4 s THR 103 Ca 1.23 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.95 2aw4 s THR 103 Cb -0.92 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2aw4 s THR 103 CO 0.50 0.00 2.12 -0.83 -0.69 0.00 0.00 174.62 175.72 2aw4 s GLY 104 N 2.05 0.35 0.00 4.40 0.00 -1.26 -4.83 107.32 108.03 2aw4 s GLY 104 Ca 0.16 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2aw4 s GLY 104 CO -0.12 3.71 0.00 0.58 0.00 0.00 0.00 173.10 177.26 2aw4 n LYS 105 N 8.77 0.00 0.00 2.90 2.85 -1.26 -4.96 118.16 126.46 2aw4 n LYS 105 Ca 0.29 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.58 2aw4 n LYS 105 Cb 0.48 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 35.04 2aw4 n LYS 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2aw4 n ALA 106 N -3.00 1.59 -2.56 0.58 0.00 -1.26 -4.20 120.51 111.66 2aw4 n ALA 106 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 2aw4 n ALA 106 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2aw4 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 n ALA 107 N -1.17 4.16 -1.28 0.00 0.00 -1.26 -4.98 120.51 115.98 2aw4 n ALA 107 Ca 0.04 -4.05 -0.33 0.00 0.00 0.00 0.00 53.44 49.10 2aw4 n ALA 107 Cb 0.04 -3.33 0.10 0.00 0.00 0.00 0.00 19.45 16.25 2aw4 n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2aw4 s ARG 108 N 2.70 2.08 -0.87 0.00 3.00 -1.26 -4.84 118.95 119.75 2aw4 s ARG 108 Ca 0.47 1.64 -0.03 0.00 0.00 0.00 0.00 55.73 57.82 2aw4 s ARG 108 Cb 0.04 -1.84 0.25 0.00 0.00 0.00 0.00 34.95 33.40 2aw4 s ARG 108 CO 0.02 -1.86 2.18 -0.89 0.00 0.00 0.00 175.30 174.75 2aw4 n ILE 109 N -2.95 4.42 -0.25 1.52 2.08 -1.26 -4.96 119.36 117.95 2aw4 n ILE 109 Ca 0.12 -4.47 -0.10 0.00 0.56 0.00 0.00 62.75 58.86 2aw4 n ILE 109 Cb 0.51 -1.50 -0.02 0.00 -0.75 0.00 0.00 39.64 37.88 2aw4 n ILE 109 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2aw4 n LYS 110 N 0.17 0.00 0.00 0.38 5.02 -1.26 -4.82 118.16 117.65 2aw4 n LYS 110 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2aw4 n LYS 110 Cb 0.31 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 2aw4 n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2aw4 n GLU 111 N 0.88 2.97 -2.27 1.97 1.02 -1.26 -4.44 120.64 119.51 2aw4 n GLU 111 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2aw4 n GLU 111 Cb -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 2aw4 n GLU 111 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2aw4 n ARG 112 N 0.00 -4.10 -3.22 3.49 5.12 -1.26 -4.24 116.66 112.45 2aw4 n ARG 112 Ca 0.00 2.97 -0.01 0.00 -1.93 0.00 0.00 57.85 58.88 2aw4 n ARG 112 Cb 0.00 -3.80 -0.02 0.00 -1.16 0.00 0.00 32.46 27.48 2aw4 n ARG 112 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2aw4 s LEU 113 N -0.47 -1.35 0.00 0.55 1.98 -1.26 -4.10 118.68 114.03 2aw4 s LEU 113 Ca 0.00 -0.61 0.00 0.00 -2.89 0.00 0.00 54.13 50.63 2aw4 s LEU 113 Cb 0.00 1.77 0.00 0.00 0.66 0.00 0.00 46.19 48.62 2aw4 s LEU 113 CO 0.00 -0.22 0.28 0.59 -1.89 0.00 0.00 176.35 175.11