#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au3 s PRO 2 N 0.00 3.38 -0.12 0.00 0.05 -1.26 -5.03 135.00 132.01 1au3 s PRO 2 Ca 0.00 -0.34 -0.12 0.00 0.05 0.00 0.00 61.00 60.60 1au3 s PRO 2 Cb 0.00 -3.06 -0.10 0.00 0.05 0.00 0.00 34.50 31.38 1au3 s PRO 2 CO 0.00 0.68 0.28 -0.44 0.05 0.00 0.00 177.00 177.56 1au3 h ASP 3 N 3.93 0.00 -3.17 6.66 3.32 -2.00 -3.47 116.42 121.69 1au3 h ASP 3 Ca -0.49 -0.38 -0.63 0.00 0.02 0.00 0.00 57.03 55.54 1au3 h ASP 3 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1au3 h ASP 3 CO 0.67 0.74 -0.64 -0.44 -1.72 0.00 0.00 179.24 177.85 1au3 s SER 4 N -5.86 5.15 -0.27 6.45 0.01 -1.26 -4.28 113.70 113.65 1au3 s SER 4 Ca -0.09 -0.17 -0.23 0.00 1.31 0.00 0.00 55.95 56.78 1au3 s SER 4 Cb -0.01 -1.26 0.07 0.00 0.21 0.00 0.00 66.02 65.03 1au3 s SER 4 CO 0.29 0.15 0.70 -0.69 0.41 0.00 0.00 173.24 174.09 1au3 s VAL 5 N -1.44 -0.00 -0.28 3.43 1.01 0.00 -4.98 120.40 118.15 1au3 s VAL 5 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1au3 s VAL 5 Cb -0.11 -0.98 0.15 0.00 0.00 0.00 0.00 36.38 35.43 1au3 s VAL 5 CO 0.20 0.00 0.37 -0.62 0.00 0.00 0.00 175.10 175.05 1au3 s ASP 6 N 0.65 0.71 0.00 3.32 -1.08 -1.26 -1.36 116.67 117.65 1au3 s ASP 6 Ca -0.02 -0.34 0.02 0.00 -0.52 0.00 0.00 52.55 51.69 1au3 s ASP 6 Cb -0.05 0.94 0.13 0.00 -1.46 0.00 0.00 42.92 42.47 1au3 s ASP 6 CO -0.04 -0.35 0.74 -1.22 0.52 0.00 0.00 175.17 174.82 1au3 n TYR 7 N 5.34 0.00 -0.04 -5.34 4.02 -0.71 -2.41 117.16 118.02 1au3 n TYR 7 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.68 1au3 n TYR 7 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.68 1au3 n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1au3 h ARG 8 N 0.00 0.11 -1.00 -0.72 3.08 -1.95 -1.71 114.38 112.20 1au3 h ARG 8 Ca 0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1au3 h ARG 8 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1au3 h ARG 8 CO 0.00 1.09 0.04 1.63 -1.07 0.00 0.00 179.97 181.66 1au3 n LYS 9 N -4.25 1.10 0.00 0.04 5.02 -1.01 -1.71 118.16 117.34 1au3 n LYS 9 Ca -0.24 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1au3 n LYS 9 Cb 0.73 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1au3 n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1au3 n LYS 10 N 0.36 -0.04 -1.42 1.97 5.02 -1.25 -5.02 118.16 117.78 1au3 n LYS 10 Ca 0.04 -0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.06 1au3 n LYS 10 Cb 0.55 -0.56 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1au3 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1au3 n GLY 11 N -0.01 1.20 0.03 0.72 0.00 -0.70 -4.88 105.19 101.56 1au3 n GLY 11 Ca 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1au3 n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1au3 n TYR 12 N -2.75 0.00 -4.10 1.61 4.02 -0.66 -4.88 117.16 110.40 1au3 n TYR 12 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.42 1au3 n TYR 12 Cb 0.41 -0.21 -0.13 0.00 -0.02 0.00 0.00 39.34 39.40 1au3 n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1au3 s VAL 13 N -2.94 3.83 0.90 -0.72 1.01 -1.13 -3.81 120.40 117.53 1au3 s VAL 13 Ca 0.12 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1au3 s VAL 13 Cb 0.18 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.97 1au3 s VAL 13 CO 0.69 0.44 1.23 0.42 0.00 0.00 0.00 175.10 177.88 1au3 s THR 14 N 1.00 1.98 0.59 3.92 -4.23 -1.26 -5.01 115.64 112.64 1au3 s THR 14 Ca 0.01 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 1au3 s THR 14 Cb -0.14 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1au3 s THR 14 CO 0.01 0.00 1.29 -2.16 -0.54 0.00 0.00 174.62 173.22 1au3 s PRO 15 N -5.65 2.89 -0.22 3.99 0.04 -1.26 -4.91 135.00 129.88 1au3 s PRO 15 Ca 0.67 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.47 1au3 s PRO 15 Cb -0.09 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1au3 s PRO 15 CO 0.51 -1.33 1.62 0.08 0.04 0.00 0.00 177.00 177.92 1au3 s VAL 16 N -1.42 3.69 0.07 -0.36 1.01 -1.26 -5.00 120.40 117.13 1au3 s VAL 16 Ca 0.77 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 1au3 s VAL 16 Cb -0.36 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1au3 s VAL 16 CO 0.40 -0.29 0.09 0.29 0.00 0.00 0.00 175.10 175.59 1au3 n LYS 17 N 7.66 -0.10 -3.26 2.72 4.01 -1.26 -4.51 118.16 123.41 1au3 n LYS 17 Ca 0.19 -0.14 -0.06 0.00 -0.51 0.00 0.00 58.31 57.79 1au3 n LYS 17 Cb 0.45 -0.09 -0.04 0.00 -0.51 0.00 0.00 35.03 34.84 1au3 n LYS 17 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1au3 s ASN 18 N -1.33 -0.38 0.59 4.39 3.84 -1.26 -2.86 114.94 117.93 1au3 s ASN 18 Ca 0.05 -0.74 0.29 0.00 0.21 0.00 0.00 52.86 52.68 1au3 s ASN 18 Cb -0.00 1.41 1.37 0.00 -0.55 0.00 0.00 41.25 43.47 1au3 s ASN 18 CO 0.04 -0.26 1.75 0.06 -2.79 0.00 0.00 177.10 175.90 1au3 h GLN 19 N 7.46 0.00 0.00 0.43 3.07 -1.69 -3.47 115.11 120.91 1au3 h GLN 19 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1au3 h GLN 19 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 1au3 h GLN 19 CO 0.17 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.50 1au3 n GLY 20 N -1.58 -0.19 2.19 0.06 0.00 -1.26 -3.75 105.19 100.65 1au3 n GLY 20 Ca 0.13 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1au3 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1au3 n GLN 21 N -0.01 2.84 -3.75 1.61 1.13 -1.26 -4.75 117.38 113.19 1au3 n GLN 21 Ca 0.00 -1.71 -0.15 0.00 -1.94 0.00 0.00 57.00 53.20 1au3 n GLN 21 Cb 0.00 -2.36 -0.15 0.00 0.11 0.00 0.00 30.24 27.84 1au3 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1au3 n GLY 23 N 4.27 4.41 0.40 0.00 0.00 0.39 -4.56 105.19 110.09 1au3 n GLY 23 Ca -0.26 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.03 1au3 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1au3 n SER 24 N 5.32 2.88 -0.31 1.61 3.41 -1.26 -1.81 113.62 123.45 1au3 n SER 24 Ca 0.46 -2.78 0.32 0.00 -0.26 0.00 0.00 58.87 56.61 1au3 n SER 24 Cb 0.38 -0.38 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 1au3 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1au3 h TRP 26 N 0.10 -0.03 -0.52 0.00 5.08 -1.85 0.24 115.95 118.97 1au3 h TRP 26 Ca 0.57 -0.00 0.09 0.00 1.08 0.00 0.00 58.89 60.63 1au3 h TRP 26 Cb 2.05 0.01 -0.07 0.00 -3.00 0.00 0.00 29.16 28.15 1au3 h TRP 26 CO -0.00 0.10 0.11 0.00 -1.28 0.00 0.00 178.44 177.37 1au3 h ALA 27 N 0.81 0.59 0.00 0.11 0.00 -0.85 0.26 119.26 120.17 1au3 h ALA 27 Ca -0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1au3 h ALA 27 Cb 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1au3 h ALA 27 CO 0.01 -0.30 -0.35 0.74 0.00 0.00 0.00 179.25 179.34 1au3 h PHE 28 N 0.24 0.00 -0.01 0.00 0.04 -1.18 -1.43 116.94 114.61 1au3 h PHE 28 Ca 0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1au3 h PHE 28 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1au3 h PHE 28 CO -0.23 0.35 -0.02 1.03 -0.60 0.00 0.00 178.31 178.84 1au3 h SER 29 N 0.00 0.03 0.35 2.17 0.87 0.18 -2.96 113.55 114.19 1au3 h SER 29 Ca -0.00 -0.62 -0.01 0.00 -1.23 0.00 0.00 61.79 59.93 1au3 h SER 29 Cb 0.67 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1au3 h SER 29 CO 0.05 0.65 -0.25 0.28 -0.53 0.00 0.00 176.83 177.02 1au3 h SER 30 N -0.58 -0.64 -0.48 6.23 0.02 -0.48 -2.77 113.55 114.86 1au3 h SER 30 Ca -0.00 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1au3 h SER 30 Cb 0.64 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.29 1au3 h SER 30 CO 0.00 -0.38 -0.13 0.58 -1.14 0.00 0.00 176.83 175.76 1au3 h VAL 31 N -0.59 0.50 -0.02 2.27 2.07 -1.38 -0.37 116.25 118.73 1au3 h VAL 31 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1au3 h VAL 31 Cb 0.50 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1au3 h VAL 31 CO 0.01 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.85 1au3 h GLY 32 N -0.02 0.00 0.42 2.17 0.00 -1.36 0.19 103.07 104.47 1au3 h GLY 32 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1au3 h GLY 32 CO -0.50 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 175.98 1au3 h ALA 33 N 1.98 -0.16 -0.73 3.60 0.00 -0.81 -2.85 119.26 120.30 1au3 h ALA 33 Ca 0.01 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1au3 h ALA 33 Cb 0.04 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1au3 h ALA 33 CO -0.00 -0.30 0.42 -0.07 0.00 0.00 0.00 179.25 179.30 1au3 h LEU 34 N -0.74 0.64 -0.76 0.00 3.38 -0.78 -1.65 115.31 115.40 1au3 h LEU 34 Ca -0.02 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1au3 h LEU 34 Cb 0.54 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1au3 h LEU 34 CO 0.03 0.41 0.41 -0.33 0.09 0.00 0.00 178.44 179.04 1au3 h GLU 35 N 0.77 0.68 -0.21 1.13 5.08 -0.67 0.44 114.58 121.80 1au3 h GLU 35 Ca 0.33 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1au3 h GLU 35 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1au3 h GLU 35 CO -0.18 0.45 -0.39 0.78 -1.00 0.00 0.00 179.01 178.67 1au3 h GLY 36 N 0.70 0.52 0.62 -3.84 0.00 -1.12 -2.05 103.07 97.89 1au3 h GLY 36 Ca 0.37 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1au3 h GLY 36 CO -0.25 0.46 -0.02 1.46 0.00 0.00 0.00 176.54 178.19 1au3 h GLN 37 N 0.40 -0.05 -0.26 4.80 1.08 -0.32 -2.70 115.11 118.06 1au3 h GLN 37 Ca 0.04 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1au3 h GLN 37 Cb 0.86 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.23 1au3 h GLN 37 CO 0.07 0.33 -0.23 1.25 -0.95 0.00 0.00 178.83 179.30 1au3 h LEU 38 N -0.43 -0.74 -1.73 1.46 5.85 -0.10 1.12 115.31 120.74 1au3 h LEU 38 Ca -0.01 0.14 0.20 0.00 0.84 0.00 0.00 57.88 59.05 1au3 h LEU 38 Cb 0.40 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1au3 h LEU 38 CO 0.01 -0.27 0.56 0.50 -0.34 0.00 0.00 178.44 178.90 1au3 h LYS 39 N -0.23 0.23 0.10 1.25 3.11 -1.24 0.34 116.57 120.13 1au3 h LYS 39 Ca 0.14 -0.01 -0.30 0.00 -2.81 0.00 0.00 60.65 57.67 1au3 h LYS 39 Cb 0.45 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1au3 h LYS 39 CO -0.39 0.15 -1.51 -0.22 -2.81 0.00 0.00 179.45 174.67 1au3 h LYS 40 N 0.23 0.21 0.34 1.90 3.64 -0.28 -0.22 116.57 122.40 1au3 h LYS 40 Ca 0.41 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1au3 h LYS 40 Cb 1.24 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1au3 h LYS 40 CO -0.09 1.06 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.77 1au3 h LYS 41 N 0.06 -0.44 0.00 1.90 1.63 0.46 -3.38 116.57 116.80 1au3 h LYS 41 Ca -0.23 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1au3 h LYS 41 Cb 2.00 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 33.72 1au3 h LYS 41 CO 0.15 -0.15 -1.37 0.25 -3.45 0.00 0.00 179.45 174.88 1au3 n THR 42 N -5.18 0.08 -0.21 1.00 -2.24 0.83 -5.01 114.28 103.56 1au3 n THR 42 Ca -0.10 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1au3 n THR 42 Cb 0.26 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1au3 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1au3 n GLY 43 N 2.15 0.69 3.63 3.38 0.00 -0.09 -5.02 105.19 109.93 1au3 n GLY 43 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1au3 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1au3 s LYS 44 N -0.79 4.00 -0.65 1.61 1.02 -1.26 -4.90 119.74 118.78 1au3 s LYS 44 Ca 0.00 -0.31 -0.07 0.00 0.02 0.00 0.00 55.97 55.61 1au3 s LYS 44 Cb 0.00 -3.43 0.17 0.00 -0.52 0.00 0.00 37.83 34.05 1au3 s LYS 44 CO 0.00 0.09 0.50 -1.17 -0.92 0.00 0.00 175.35 173.85 1au3 s LEU 45 N 0.95 5.73 0.17 3.17 2.96 -1.26 -2.92 118.68 127.47 1au3 s LEU 45 Ca 0.06 -2.62 0.11 0.00 -0.22 0.00 0.00 54.13 51.46 1au3 s LEU 45 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1au3 s LEU 45 CO 0.03 -0.49 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.59 1au3 s LEU 46 N 0.28 2.47 -0.33 -0.68 2.01 -1.26 -5.05 118.68 116.11 1au3 s LEU 46 Ca 0.15 -0.80 -0.29 0.00 0.01 0.00 0.00 54.13 53.20 1au3 s LEU 46 Cb -0.19 -1.24 0.01 0.00 0.01 0.00 0.00 46.19 44.78 1au3 s LEU 46 CO -0.04 0.14 1.20 0.20 1.01 0.00 0.00 176.35 178.86 1au3 s ASN 47 N -2.51 6.75 0.74 2.29 -0.87 -1.26 -4.87 114.94 115.20 1au3 s ASN 47 Ca 0.19 1.04 -0.12 0.00 -1.57 0.00 0.00 52.86 52.41 1au3 s ASN 47 Cb -0.09 -2.54 0.04 0.00 -0.02 0.00 0.00 41.25 38.64 1au3 s ASN 47 CO 0.09 -1.05 1.11 -0.76 -2.57 0.00 0.00 177.10 173.93 1au3 s LEU 48 N 4.17 2.77 -0.42 0.60 2.01 -1.26 -1.05 118.68 125.50 1au3 s LEU 48 Ca 0.51 1.08 -0.16 0.00 0.01 0.00 0.00 54.13 55.58 1au3 s LEU 48 Cb -0.14 -3.78 0.03 0.00 0.01 0.00 0.00 46.19 42.30 1au3 s LEU 48 CO 0.22 -1.54 0.34 -0.55 1.01 0.00 0.00 176.35 175.82 1au3 s SER 49 N -4.35 6.13 0.36 2.29 0.15 -0.68 -4.29 113.70 113.31 1au3 s SER 49 Ca 0.59 -0.89 0.05 0.00 0.70 0.00 0.00 55.95 56.40 1au3 s SER 49 Cb -0.11 -2.18 0.68 0.00 -1.71 0.00 0.00 66.02 62.70 1au3 s SER 49 CO 0.51 -0.50 1.92 -0.65 1.20 0.00 0.00 173.24 175.73 1au3 h PRO 50 N 8.66 0.49 -0.43 5.44 0.11 -1.86 -2.40 132.00 142.01 1au3 h PRO 50 Ca -0.27 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 1au3 h PRO 50 Cb 1.12 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1au3 h PRO 50 CO 0.76 0.49 0.05 0.37 -0.21 0.00 0.00 178.00 179.46 1au3 h GLN 51 N 0.48 0.67 -0.84 1.05 5.75 -1.85 0.17 115.11 120.54 1au3 h GLN 51 Ca 0.11 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1au3 h GLN 51 Cb 0.25 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1au3 h GLN 51 CO 0.00 0.66 0.44 -0.97 -2.65 0.00 0.00 178.83 176.31 1au3 h ASN 52 N 0.65 1.06 -0.12 -0.69 -0.00 -1.70 -1.74 115.58 113.04 1au3 h ASN 52 Ca 0.14 -0.10 -0.05 0.00 -0.00 0.00 0.00 56.30 56.28 1au3 h ASN 52 Cb 0.33 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.38 1au3 h ASN 52 CO 0.01 0.87 -0.13 -0.07 -0.00 0.00 0.00 177.43 178.11 1au3 h LEU 53 N 1.18 0.32 0.06 0.34 4.07 -1.29 -0.75 115.31 119.25 1au3 h LEU 53 Ca 0.29 -0.49 0.02 0.00 0.08 0.00 0.00 57.88 57.78 1au3 h LEU 53 Cb 0.06 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1au3 h LEU 53 CO -0.04 0.75 -0.17 0.58 -1.08 0.00 0.00 178.44 178.47 1au3 h VAL 54 N -0.10 0.60 -0.13 1.22 2.07 -0.48 -2.00 116.25 117.43 1au3 h VAL 54 Ca 0.02 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 1au3 h VAL 54 Cb 0.66 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1au3 h VAL 54 CO 0.03 0.00 -0.33 0.44 0.02 0.00 0.00 177.57 177.73 1au3 h ASP 55 N -0.32 0.52 1.43 0.57 3.32 -1.40 -3.38 116.42 117.16 1au3 h ASP 55 Ca 0.03 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1au3 h ASP 55 Cb 0.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1au3 h ASP 55 CO -0.12 1.01 -0.27 0.00 -1.72 0.00 0.00 179.24 178.14 1au3 s VAL 57 N -3.18 4.23 0.35 0.00 1.01 -0.76 -4.87 120.40 117.18 1au3 s VAL 57 Ca 0.07 -0.29 0.31 0.00 0.00 0.00 0.00 61.98 62.07 1au3 s VAL 57 Cb 0.10 -4.74 0.33 0.00 0.00 0.00 0.00 36.38 32.08 1au3 s VAL 57 CO 0.67 -1.54 2.07 0.77 0.00 0.00 0.00 175.10 177.07 1au3 h SER 58 N 9.62 0.00 1.17 3.32 4.64 -1.90 -2.73 113.55 127.67 1au3 h SER 58 Ca -0.26 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 1au3 h SER 58 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1au3 h SER 58 CO 1.20 0.09 -0.50 -0.33 -0.87 0.00 0.00 176.83 176.42 1au3 h GLU 59 N 0.00 0.00 -6.76 4.77 3.07 -1.94 -3.46 114.58 110.26 1au3 h GLU 59 Ca -0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.42 1au3 h GLU 59 Cb 0.38 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1au3 h GLU 59 CO 0.01 0.50 -0.08 -0.80 -1.40 0.00 0.00 179.01 177.24 1au3 s ASN 60 N -6.47 5.42 -0.05 1.42 0.02 -1.03 -4.95 114.94 109.29 1au3 s ASN 60 Ca 0.02 -0.02 0.20 0.00 -1.02 0.00 0.00 52.86 52.04 1au3 s ASN 60 Cb 0.09 -0.95 0.66 0.00 0.02 0.00 0.00 41.25 41.07 1au3 s ASN 60 CO 0.73 -1.02 1.56 0.47 0.02 0.00 0.00 177.10 178.86 1au3 n ASP 61 N -2.23 4.19 0.00 -1.22 9.92 0.35 -4.96 116.55 122.60 1au3 n ASP 61 Ca 0.07 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 1au3 n ASP 61 Cb 0.59 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1au3 n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1au3 n GLY 62 N 1.38 2.78 0.05 0.44 0.00 -1.23 -2.21 105.19 106.40 1au3 n GLY 62 Ca 0.24 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1au3 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1au3 n GLY 64 N 0.85 -0.14 0.00 0.00 0.00 -0.94 -0.46 105.19 104.49 1au3 n GLY 64 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1au3 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1au3 n GLY 65 N 0.81 1.81 3.84 -0.02 0.00 -0.75 -4.83 105.19 106.05 1au3 n GLY 65 Ca 0.07 -1.96 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 1au3 n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1au3 s GLY 66 N 0.00 -0.12 -0.05 -0.02 0.00 -1.26 -0.49 107.32 105.38 1au3 s GLY 66 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1au3 s GLY 66 CO 0.00 2.64 0.01 -0.19 0.00 0.00 0.00 173.10 175.56 1au3 s TYR 67 N -2.31 3.15 0.29 1.90 2.02 -1.26 -4.74 117.35 116.40 1au3 s TYR 67 Ca 0.21 0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 57.06 1au3 s TYR 67 Cb -0.00 -1.74 0.42 0.00 -0.40 0.00 0.00 41.96 40.24 1au3 s TYR 67 CO 0.01 0.48 1.85 0.52 -1.57 0.00 0.00 175.55 176.84 1au3 h MET 68 N 4.73 0.85 -0.55 -0.62 2.86 -1.94 -2.84 114.93 117.43 1au3 h MET 68 Ca -0.50 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.03 1au3 h MET 68 Cb 1.19 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1au3 h MET 68 CO 0.56 0.73 0.31 1.79 1.06 0.00 0.00 176.91 181.36 1au3 h THR 69 N 0.83 1.01 -0.77 2.22 1.35 -1.95 0.10 112.91 115.70 1au3 h THR 69 Ca 0.19 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1au3 h THR 69 Cb 0.23 0.36 -0.04 0.00 -1.73 0.00 0.00 68.15 66.97 1au3 h THR 69 CO -0.01 0.11 0.47 0.78 -0.25 0.00 0.00 175.52 176.62 1au3 h ASN 70 N 0.60 0.91 0.32 5.36 -0.26 -1.93 0.27 115.58 120.84 1au3 h ASN 70 Ca 0.23 -0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.82 1au3 h ASN 70 Cb 0.09 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1au3 h ASN 70 CO -0.13 0.69 -0.45 0.00 -1.06 0.00 0.00 177.43 176.48 1au3 h ALA 71 N 1.47 1.11 0.01 -0.83 0.00 -1.03 -1.23 119.26 118.76 1au3 h ALA 71 Ca 0.28 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1au3 h ALA 71 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1au3 h ALA 71 CO -0.05 0.61 -0.01 0.74 0.00 0.00 0.00 179.25 180.53 1au3 h PHE 72 N 0.14 -0.02 -0.85 0.00 0.04 0.15 -3.03 116.94 113.38 1au3 h PHE 72 Ca 0.01 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.89 1au3 h PHE 72 Cb 0.85 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.95 1au3 h PHE 72 CO 0.01 0.66 0.55 0.37 -0.60 0.00 0.00 178.31 179.30 1au3 h GLN 73 N -0.72 0.75 0.12 1.51 4.15 -0.95 -1.33 115.11 118.63 1au3 h GLN 73 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1au3 h GLN 73 Cb 0.68 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1au3 h GLN 73 CO 0.00 0.49 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.42 1au3 h TYR 74 N 0.77 -0.15 -0.16 3.99 3.20 -1.26 -0.13 116.97 123.23 1au3 h TYR 74 Ca 0.40 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.32 1au3 h TYR 74 Cb 0.51 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1au3 h TYR 74 CO -0.00 -0.01 0.26 0.28 -1.64 0.00 0.00 178.16 177.05 1au3 h VAL 75 N -0.26 0.28 0.00 1.81 2.07 -1.13 0.33 116.25 119.35 1au3 h VAL 75 Ca -0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1au3 h VAL 75 Cb 0.21 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1au3 h VAL 75 CO 0.03 0.00 -0.36 -0.61 0.02 0.00 0.00 177.57 176.64 1au3 h GLN 76 N 0.00 0.00 0.00 1.57 4.15 -0.93 -0.98 115.11 118.92 1au3 h GLN 76 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1au3 h GLN 76 Cb 0.59 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1au3 h GLN 76 CO -0.00 0.58 -0.10 0.87 -1.93 0.00 0.00 178.83 178.24 1au3 h LYS 77 N -1.00 0.00 -0.11 1.69 1.57 -0.30 -1.17 116.57 117.25 1au3 h LYS 77 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1au3 h LYS 77 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1au3 h LYS 77 CO -0.05 0.10 0.00 -1.71 -0.57 0.00 0.00 179.45 177.23 1au3 n ASN 78 N -4.22 2.62 -3.99 0.86 5.15 0.04 -4.98 115.26 110.74 1au3 n ASN 78 Ca -0.03 -1.86 -0.27 0.00 -0.60 0.00 0.00 54.58 51.83 1au3 n ASN 78 Cb 0.18 -0.06 -0.02 0.00 -0.53 0.00 0.00 39.78 39.35 1au3 n ASN 78 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1au3 n ARG 79 N 1.02 -3.31 0.00 1.20 1.74 -0.44 -4.88 116.66 111.98 1au3 n ARG 79 Ca 0.16 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1au3 n ARG 79 Cb 0.52 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 1au3 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1au3 n GLY 80 N -1.91 4.44 2.97 -0.13 0.00 -0.39 -4.88 105.19 105.29 1au3 n GLY 80 Ca -0.25 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1au3 n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1au3 s ILE 81 N -2.00 0.58 1.01 -0.61 2.07 -0.38 -4.79 121.20 117.08 1au3 s ILE 81 Ca 0.00 -0.27 -0.15 0.00 -1.41 0.00 0.00 60.65 58.82 1au3 s ILE 81 Cb 0.00 -0.51 0.19 0.00 0.13 0.00 0.00 42.46 42.27 1au3 s ILE 81 CO 0.00 0.18 1.15 -1.81 -1.91 0.00 0.00 174.94 172.55 1au3 s ASP 82 N 0.09 2.65 0.55 4.50 1.01 -1.26 -1.72 116.67 122.49 1au3 s ASP 82 Ca -0.01 0.80 0.04 0.00 0.71 0.00 0.00 52.55 54.09 1au3 s ASP 82 Cb -0.06 -1.22 0.05 0.00 1.01 0.00 0.00 42.92 42.70 1au3 s ASP 82 CO -0.00 -3.07 0.77 -0.94 0.21 0.00 0.00 175.17 172.14 1au3 s SER 83 N -4.05 5.17 0.19 0.27 1.04 -1.21 -1.69 113.70 113.43 1au3 s SER 83 Ca 0.67 -0.30 -0.09 0.00 0.48 0.00 0.00 55.95 56.71 1au3 s SER 83 Cb -0.12 -0.49 0.11 0.00 0.10 0.00 0.00 66.02 65.62 1au3 s SER 83 CO 0.55 -1.21 1.72 -0.33 0.98 0.00 0.00 173.24 174.95 1au3 h GLU 84 N 0.12 1.09 -0.10 4.02 4.39 -1.28 0.62 114.58 123.44 1au3 h GLU 84 Ca -0.39 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.10 1au3 h GLU 84 Cb 1.29 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 1au3 h GLU 84 CO 0.46 0.94 -0.54 -0.44 -1.16 0.00 0.00 179.01 178.28 1au3 h ASP 85 N 1.03 -1.71 0.84 1.42 3.32 -1.95 0.18 116.42 119.54 1au3 h ASP 85 Ca 0.22 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1au3 h ASP 85 Cb 0.32 0.66 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1au3 h ASP 85 CO -0.00 -0.49 0.00 0.00 -1.72 0.00 0.00 179.24 177.02 1au3 h ALA 86 N -0.33 1.00 -1.43 3.45 0.00 -1.87 -3.37 119.26 116.71 1au3 h ALA 86 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.55 1au3 h ALA 86 Cb 0.69 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.21 1au3 h ALA 86 CO -0.42 0.00 -0.78 0.98 0.00 0.00 0.00 179.25 179.04 1au3 n TYR 87 N -2.55 -2.11 -0.95 0.00 4.19 0.20 -4.85 117.16 111.09 1au3 n TYR 87 Ca 0.02 -2.51 -0.33 0.00 3.31 0.00 0.00 57.90 58.39 1au3 n TYR 87 Cb 0.26 0.73 0.14 0.00 0.49 0.00 0.00 39.34 40.96 1au3 n TYR 87 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1au3 n PRO 88 N 2.31 -0.04 -2.97 2.98 -0.02 0.42 -4.44 135.00 133.24 1au3 n PRO 88 Ca 0.20 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 1au3 n PRO 88 Cb 0.54 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1au3 n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1au3 s TYR 89 N -2.30 3.06 -0.32 6.00 5.04 -1.26 -4.75 117.35 122.81 1au3 s TYR 89 Ca 0.71 0.37 0.23 0.00 -2.44 0.00 0.00 57.07 55.94 1au3 s TYR 89 Cb -0.27 -3.49 0.13 0.00 0.35 0.00 0.00 41.96 38.68 1au3 s TYR 89 CO 0.53 -0.83 1.24 -0.39 -1.34 0.00 0.00 175.55 174.76 1au3 h VAL 90 N 5.85 0.00 -0.39 3.14 -1.51 -1.98 -3.48 116.25 117.88 1au3 h VAL 90 Ca -0.25 -0.97 -0.08 0.00 -1.23 0.00 0.00 66.70 64.17 1au3 h VAL 90 Cb 1.09 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1au3 h VAL 90 CO 0.93 0.00 -0.09 0.61 -1.23 0.00 0.00 177.57 177.79 1au3 n GLY 91 N 1.16 0.42 3.26 5.19 0.00 -1.26 -5.02 105.19 108.94 1au3 n GLY 91 Ca 0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 1au3 n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1au3 s GLN 92 N -3.37 0.77 0.12 1.61 0.74 -1.26 -4.46 119.66 113.81 1au3 s GLN 92 Ca 0.00 -0.33 -0.27 0.00 0.05 0.00 0.00 55.36 54.80 1au3 s GLN 92 Cb 0.00 0.34 -0.07 0.00 1.10 0.00 0.00 33.01 34.38 1au3 s GLN 92 CO 0.00 -0.24 0.85 -2.00 -0.55 0.00 0.00 175.29 173.36 1au3 s GLU 93 N -1.99 4.63 0.16 1.67 2.12 -1.26 -4.96 118.70 119.07 1au3 s GLU 93 Ca -0.09 1.26 -0.09 0.00 0.36 0.00 0.00 54.97 56.41 1au3 s GLU 93 Cb -0.03 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1au3 s GLU 93 CO 0.00 0.36 0.29 -1.21 -0.54 0.00 0.00 175.26 174.17 1au3 s GLU 94 N -0.45 1.14 0.69 4.30 2.02 -1.26 -5.10 118.70 120.04 1au3 s GLU 94 Ca 0.41 -1.14 -0.17 0.00 0.02 0.00 0.00 54.97 54.09 1au3 s GLU 94 Cb -0.23 0.38 -0.00 0.00 0.10 0.00 0.00 34.13 34.39 1au3 s GLU 94 CO 0.27 -0.42 1.09 -1.13 0.02 0.00 0.00 175.26 175.10 1au3 n SER 95 N -0.21 1.09 -4.67 -0.19 3.41 -1.26 -4.47 113.62 107.32 1au3 n SER 95 Ca -0.08 0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1au3 n SER 95 Cb 0.63 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1au3 n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1au3 n MET 97 N 6.71 2.00 -2.65 0.00 0.00 -1.26 -5.02 117.12 116.90 1au3 n MET 97 Ca 0.16 -4.00 -0.41 0.00 0.00 0.00 0.00 57.70 53.46 1au3 n MET 97 Cb 0.43 -1.90 -0.04 0.00 0.00 0.00 0.00 33.22 31.70 1au3 n MET 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 1au3 s TYR 98 N -2.96 3.74 -0.25 1.12 6.14 -1.26 -5.02 117.35 118.86 1au3 s TYR 98 Ca 0.43 1.73 -0.04 0.00 0.64 0.00 0.00 57.07 59.83 1au3 s TYR 98 Cb 0.34 -3.13 0.01 0.00 0.42 0.00 0.00 41.96 39.60 1au3 s TYR 98 CO -0.10 -0.08 -0.02 1.21 0.64 0.00 0.00 175.55 177.20 1au3 s ASN 99 N -0.11 4.51 0.27 4.32 3.04 -1.26 -5.01 114.94 120.70 1au3 s ASN 99 Ca 0.48 -0.66 -0.00 0.00 0.04 0.00 0.00 52.86 52.71 1au3 s ASN 99 Cb -0.26 -1.74 0.54 0.00 -1.54 0.00 0.00 41.25 38.25 1au3 s ASN 99 CO 0.32 -0.11 1.78 -0.65 -3.04 0.00 0.00 177.10 175.40 1au3 h PRO 100 N 8.10 0.71 0.00 0.43 0.11 -1.99 0.44 132.00 139.80 1au3 h PRO 100 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1au3 h PRO 100 Cb 1.13 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1au3 h PRO 100 CO 0.59 0.47 0.00 2.41 -0.21 0.00 0.00 178.00 181.26 1au3 n THR 101 N -4.80 1.05 0.35 -1.15 -1.04 -1.26 -1.63 114.28 105.80 1au3 n THR 101 Ca 0.18 0.36 0.11 0.00 -2.04 0.00 0.00 64.05 62.66 1au3 n THR 101 Cb 0.42 -1.27 -0.05 0.00 -1.82 0.00 0.00 70.33 67.60 1au3 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1au3 n GLY 102 N -0.43 -1.17 3.26 3.41 0.00 0.13 -4.99 105.19 105.41 1au3 n GLY 102 Ca 0.02 -0.43 -0.57 0.00 0.00 0.00 0.00 46.02 45.04 1au3 n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1au3 n LYS 103 N -2.14 0.00 -0.00 1.61 4.81 -0.65 -3.32 118.16 118.47 1au3 n LYS 103 Ca -0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1au3 n LYS 103 Cb 0.49 -1.36 -0.07 0.00 0.02 0.00 0.00 35.03 34.11 1au3 n LYS 103 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1au3 n ALA 104 N 2.27 2.32 -3.46 3.14 0.00 -0.70 -4.89 120.51 119.18 1au3 n ALA 104 Ca 0.22 -0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1au3 n ALA 104 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 19.18 1au3 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au3 n ALA 105 N -1.81 -1.63 -3.21 0.00 0.00 -1.23 -5.05 120.51 107.58 1au3 n ALA 105 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.02 1au3 n ALA 105 Cb 0.24 0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.80 1au3 n ALA 105 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1au3 n LYS 106 N -0.42 0.29 -3.69 0.00 2.85 -1.26 -1.25 118.16 114.69 1au3 n LYS 106 Ca 0.02 -0.58 -0.15 0.00 -1.05 0.00 0.00 58.31 56.55 1au3 n LYS 106 Cb 0.27 0.72 -0.08 0.00 -0.65 0.00 0.00 35.03 35.30 1au3 n LYS 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1au3 n ARG 108 N 1.35 4.40 0.00 0.00 1.74 0.19 -3.79 116.66 120.56 1au3 n ARG 108 Ca -0.20 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.31 1au3 n ARG 108 Cb 0.56 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1au3 n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1au3 n GLY 109 N -0.20 -3.64 3.12 -0.13 0.00 -1.26 -4.70 105.19 98.38 1au3 n GLY 109 Ca 0.43 -2.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 1au3 n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1au3 s TYR 110 N -0.78 0.68 -0.06 1.61 -0.85 -1.26 0.07 117.35 116.76 1au3 s TYR 110 Ca 0.00 -1.12 0.06 0.00 -0.52 0.00 0.00 57.07 55.48 1au3 s TYR 110 Cb 0.00 -0.44 -0.01 0.00 0.38 0.00 0.00 41.96 41.89 1au3 s TYR 110 CO 0.00 -0.42 -0.24 0.50 -1.52 0.00 0.00 175.55 173.87 1au3 s ARG 111 N -3.96 2.58 0.15 -3.49 6.06 -0.19 -4.87 118.95 115.22 1au3 s ARG 111 Ca 0.14 -0.88 0.04 0.00 -2.50 0.00 0.00 55.73 52.53 1au3 s ARG 111 Cb 0.08 -2.14 -0.04 0.00 0.06 0.00 0.00 34.95 32.91 1au3 s ARG 111 CO -0.05 0.33 0.19 -1.21 -2.50 0.00 0.00 175.30 172.06 1au3 s GLU 112 N -0.05 3.12 -0.09 5.12 2.02 -1.26 -1.51 118.70 126.05 1au3 s GLU 112 Ca -0.07 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1au3 s GLU 112 Cb -0.14 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1au3 s GLU 112 CO 0.05 0.51 -0.01 0.42 0.02 0.00 0.00 175.26 176.24 1au3 s ILE 113 N -1.71 4.18 0.07 -1.63 1.01 -0.92 -5.00 121.20 117.20 1au3 s ILE 113 Ca 0.32 -0.29 -0.37 0.00 0.00 0.00 0.00 60.65 60.31 1au3 s ILE 113 Cb -0.11 -2.76 -0.18 0.00 0.01 0.00 0.00 42.46 39.43 1au3 s ILE 113 CO 0.25 0.59 1.09 -2.65 0.00 0.00 0.00 174.94 174.22 1au3 n PRO 114 N 2.30 0.48 -1.73 2.79 -0.02 -1.26 -4.73 135.00 132.83 1au3 n PRO 114 Ca -0.18 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 1au3 n PRO 114 Cb 0.53 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1au3 n PRO 114 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1au3 n GLU 115 N 1.73 2.27 0.00 -0.52 0.28 -1.26 -2.34 120.64 120.80 1au3 n GLU 115 Ca 0.18 0.80 0.00 0.00 -0.16 0.00 0.00 57.16 57.98 1au3 n GLU 115 Cb 0.16 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.55 1au3 n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1au3 n GLY 116 N 0.66 1.68 3.55 -1.84 0.00 0.23 -4.91 105.19 104.57 1au3 n GLY 116 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1au3 n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1au3 s ASN 117 N -1.51 5.89 0.39 1.61 3.84 -0.99 -4.77 114.94 119.41 1au3 s ASN 117 Ca 0.00 -0.61 0.18 0.00 0.21 0.00 0.00 52.86 52.64 1au3 s ASN 117 Cb 0.00 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 38.96 1au3 s ASN 117 CO 0.00 -2.02 1.82 -0.33 -2.79 0.00 0.00 177.10 173.78 1au3 h GLU 118 N 11.22 0.00 -0.35 0.43 5.08 -1.88 -2.46 114.58 126.62 1au3 h GLU 118 Ca -0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1au3 h GLU 118 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1au3 h GLU 118 CO 1.30 0.34 -0.38 0.87 -1.00 0.00 0.00 179.01 180.15 1au3 h LYS 119 N 0.00 0.82 -0.40 2.33 1.79 -1.98 0.26 116.57 119.40 1au3 h LYS 119 Ca -0.00 -0.42 -0.06 0.00 -2.18 0.00 0.00 60.65 57.98 1au3 h LYS 119 Cb 0.72 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1au3 h LYS 119 CO 0.04 1.06 -0.01 0.00 -1.08 0.00 0.00 179.45 179.47 1au3 h ALA 120 N 0.89 0.54 -0.60 3.86 0.00 -1.93 -0.87 119.26 121.15 1au3 h ALA 120 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1au3 h ALA 120 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1au3 h ALA 120 CO 0.09 0.32 0.37 1.25 0.00 0.00 0.00 179.25 181.28 1au3 h LEU 121 N 0.53 0.72 -0.86 0.00 5.85 -1.09 0.98 115.31 121.43 1au3 h LEU 121 Ca 0.11 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1au3 h LEU 121 Cb 0.48 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1au3 h LEU 121 CO 0.02 0.56 0.19 0.50 -0.34 0.00 0.00 178.44 179.37 1au3 h LYS 122 N 0.81 1.03 -0.34 1.25 3.64 -0.30 -1.48 116.57 121.19 1au3 h LYS 122 Ca 0.22 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1au3 h LYS 122 Cb -0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1au3 h LYS 122 CO -0.04 0.90 -0.17 0.00 -2.27 0.00 0.00 179.45 177.86 1au3 h ARG 123 N 0.99 0.62 -0.13 1.90 3.08 -0.59 -0.91 114.38 119.35 1au3 h ARG 123 Ca 0.22 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1au3 h ARG 123 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1au3 h ARG 123 CO -0.00 0.77 0.06 0.00 -1.07 0.00 0.00 179.97 179.72 1au3 h ALA 124 N 1.25 0.16 -0.63 0.04 0.00 -0.16 -1.89 119.26 118.03 1au3 h ALA 124 Ca 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1au3 h ALA 124 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1au3 h ALA 124 CO 0.04 -0.27 0.13 0.28 0.00 0.00 0.00 179.25 179.43 1au3 h VAL 125 N 0.07 1.26 -0.26 0.00 2.07 -1.15 0.19 116.25 118.44 1au3 h VAL 125 Ca 0.04 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1au3 h VAL 125 Cb 0.12 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1au3 h VAL 125 CO -0.01 0.36 0.15 0.00 0.02 0.00 0.00 177.57 178.10 1au3 h ALA 126 N 1.04 0.33 0.00 1.67 0.00 -1.00 -3.21 119.26 118.09 1au3 h ALA 126 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1au3 h ALA 126 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1au3 h ALA 126 CO 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.07 1au3 h ARG 127 N 0.32 0.00 0.00 0.00 2.47 -1.24 -3.44 114.38 112.48 1au3 h ARG 127 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1au3 h ARG 127 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1au3 h ARG 127 CO -0.02 0.03 0.00 0.28 0.56 0.00 0.00 179.97 180.82 1au3 n VAL 128 N -4.77 0.00 0.00 2.04 0.31 0.65 -5.10 118.33 111.46 1au3 n VAL 128 Ca -0.01 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1au3 n VAL 128 Cb 0.03 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1au3 n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1au3 n GLY 129 N 1.78 -0.04 3.65 2.92 0.00 -1.14 -4.97 105.19 107.39 1au3 n GLY 129 Ca 0.00 -1.02 -0.52 0.00 0.00 0.00 0.00 46.02 44.49 1au3 n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1au3 n PRO 130 N 0.00 1.51 -5.15 1.61 -0.02 -1.25 -4.28 135.00 127.42 1au3 n PRO 130 Ca 0.00 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1au3 n PRO 130 Cb 0.00 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.06 1au3 n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1au3 s VAL 131 N 1.84 1.94 -0.07 -1.45 1.01 -0.96 -4.64 120.40 118.07 1au3 s VAL 131 Ca 0.88 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1au3 s VAL 131 Cb -0.89 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1au3 s VAL 131 CO 0.50 0.50 1.12 -0.44 0.00 0.00 0.00 175.10 176.78 1au3 s SER 132 N -0.69 7.14 0.01 3.32 0.01 -0.91 -0.80 113.70 121.77 1au3 s SER 132 Ca 0.10 1.70 0.04 0.00 1.31 0.00 0.00 55.95 59.09 1au3 s SER 132 Cb -0.09 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 1au3 s SER 132 CO -0.00 -0.52 -0.11 0.68 0.41 0.00 0.00 173.24 173.70 1au3 s VAL 133 N 2.08 0.86 -0.07 3.43 -7.23 -0.76 -0.64 120.40 118.06 1au3 s VAL 133 Ca 0.53 -0.64 -0.03 0.00 -1.81 0.00 0.00 61.98 60.03 1au3 s VAL 133 Cb -0.22 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1au3 s VAL 133 CO 0.21 0.12 0.08 0.00 -0.31 0.00 0.00 175.10 175.19 1au3 s ALA 134 N -0.49 3.60 0.26 1.32 0.00 -1.26 -0.19 121.76 125.01 1au3 s ALA 134 Ca 0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1au3 s ALA 134 Cb -0.05 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1au3 s ALA 134 CO 0.00 0.64 0.27 0.96 0.00 0.00 0.00 175.76 177.63 1au3 s ILE 135 N -1.05 0.00 -0.48 0.00 -4.36 0.30 -4.23 121.20 111.39 1au3 s ILE 135 Ca 0.17 -1.85 -0.17 0.00 -0.26 0.00 0.00 60.65 58.54 1au3 s ILE 135 Cb -0.12 -2.48 0.07 0.00 1.25 0.00 0.00 42.46 41.18 1au3 s ILE 135 CO 0.07 0.00 0.47 -0.62 0.24 0.00 0.00 174.94 175.10 1au3 s ASP 136 N -3.21 6.17 -0.19 4.36 2.15 -1.02 -1.66 116.67 123.27 1au3 s ASP 136 Ca 0.36 -1.21 0.16 0.00 0.43 0.00 0.00 52.55 52.29 1au3 s ASP 136 Cb 0.04 -2.22 0.55 0.00 -0.30 0.00 0.00 42.92 40.98 1au3 s ASP 136 CO 0.17 -0.72 1.44 0.00 -0.17 0.00 0.00 175.17 175.89 1au3 n ALA 137 N 5.50 3.13 -0.16 3.66 0.00 -1.26 -4.64 120.51 126.74 1au3 n ALA 137 Ca -0.11 -2.34 -0.10 0.00 0.00 0.00 0.00 53.44 50.89 1au3 n ALA 137 Cb 0.44 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1au3 n ALA 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1au3 h SER 138 N 1.86 0.82 -1.32 0.00 4.64 -1.91 -3.43 113.55 114.21 1au3 h SER 138 Ca 0.02 -0.33 -0.78 0.00 -0.47 0.00 0.00 61.79 60.23 1au3 h SER 138 Cb 1.50 -0.22 0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1au3 h SER 138 CO 0.25 0.95 0.61 0.18 -0.87 0.00 0.00 176.83 177.95 1au3 n LEU 139 N -4.34 1.49 0.00 5.97 4.32 -1.26 -4.80 117.00 118.38 1au3 n LEU 139 Ca 0.00 1.13 0.04 0.00 -0.02 0.00 0.00 56.01 57.16 1au3 n LEU 139 Cb 0.33 -1.04 0.20 0.00 -1.62 0.00 0.00 43.42 41.29 1au3 n LEU 139 CO 0.42 -0.93 0.57 0.35 -1.22 0.00 0.00 177.39 176.59 1au3 n THR 140 N 3.48 0.94 0.12 -5.08 -2.24 -1.26 -0.75 114.28 109.49 1au3 n THR 140 Ca 0.25 0.24 -0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1au3 n THR 140 Cb 0.08 -1.10 0.02 0.00 -2.10 0.00 0.00 70.33 67.23 1au3 n THR 140 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1au3 h SER 141 N 0.00 0.00 -0.11 3.42 4.64 -1.95 -2.72 113.55 116.82 1au3 h SER 141 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1au3 h SER 141 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1au3 h SER 141 CO 0.00 0.66 -0.38 0.15 -0.87 0.00 0.00 176.83 176.39 1au3 h PHE 142 N 0.00 0.60 0.00 4.77 3.04 -1.27 -1.55 116.94 122.54 1au3 h PHE 142 Ca -0.01 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.70 1au3 h PHE 142 Cb 1.44 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.85 1au3 h PHE 142 CO 0.00 0.99 0.00 1.96 -2.02 0.00 0.00 178.31 179.24 1au3 h GLN 143 N 0.04 0.00 -0.21 1.11 4.20 -1.51 -2.18 115.11 116.56 1au3 h GLN 143 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1au3 h GLN 143 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1au3 h GLN 143 CO 0.08 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.43 1au3 n PHE 144 N -2.54 0.40 -1.75 2.96 3.72 -1.03 -4.88 117.46 114.34 1au3 n PHE 144 Ca 0.01 -0.62 -0.39 0.00 -0.05 0.00 0.00 57.45 56.40 1au3 n PHE 144 Cb 0.22 -0.10 0.04 0.00 -0.94 0.00 0.00 39.48 38.69 1au3 n PHE 144 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1au3 n TYR 145 N -0.11 2.40 0.00 1.38 4.19 -0.59 -4.91 117.16 119.51 1au3 n TYR 145 Ca 0.11 0.43 0.00 0.00 3.31 0.00 0.00 57.90 61.75 1au3 n TYR 145 Cb 0.49 -2.38 0.00 0.00 0.49 0.00 0.00 39.34 37.94 1au3 n TYR 145 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1au3 n SER 146 N -0.87 0.00 -3.78 2.98 3.41 -1.26 -3.37 113.62 110.74 1au3 n SER 146 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1au3 n SER 146 Cb 0.44 0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 1au3 n SER 146 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1au3 s LYS 147 N -1.73 0.56 0.00 4.33 2.20 -1.26 -3.49 119.74 120.35 1au3 s LYS 147 Ca 0.00 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1au3 s LYS 147 Cb 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1au3 s LYS 147 CO 0.00 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1au3 n GLY 148 N 1.76 0.96 3.62 5.54 0.00 -1.26 -4.87 105.19 110.93 1au3 n GLY 148 Ca -0.19 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1au3 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1au3 s VAL 149 N -2.12 4.16 0.54 1.61 1.01 -1.26 -4.28 120.40 120.06 1au3 s VAL 149 Ca 0.00 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 63.03 1au3 s VAL 149 Cb 0.00 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1au3 s VAL 149 CO 0.00 -0.68 1.23 -0.47 0.00 0.00 0.00 175.10 175.18 1au3 s TYR 150 N 4.53 2.52 -0.29 5.22 5.04 -1.04 -4.81 117.35 128.52 1au3 s TYR 150 Ca 0.54 1.48 -0.21 0.00 -2.44 0.00 0.00 57.07 56.44 1au3 s TYR 150 Cb -0.13 -3.53 0.18 0.00 0.35 0.00 0.00 41.96 38.83 1au3 s TYR 150 CO 0.26 -2.16 1.24 -0.47 -1.34 0.00 0.00 175.55 173.09 1au3 s TYR 151 N -1.50 -0.22 -0.21 4.97 5.04 -1.26 -1.49 117.35 122.67 1au3 s TYR 151 Ca 0.71 0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 55.71 1au3 s TYR 151 Cb -0.32 0.31 0.07 0.00 0.35 0.00 0.00 41.96 42.36 1au3 s TYR 151 CO 0.37 -0.11 0.52 0.34 -1.34 0.00 0.00 175.55 175.33 1au3 s ASP 152 N 0.59 -0.67 0.26 4.32 -1.08 -1.26 -5.05 116.67 113.78 1au3 s ASP 152 Ca -0.01 1.14 0.23 0.00 -0.52 0.00 0.00 52.55 53.39 1au3 s ASP 152 Cb -0.04 1.07 0.99 0.00 -1.46 0.00 0.00 42.92 43.48 1au3 s ASP 152 CO -0.12 -0.21 1.69 -1.84 0.52 0.00 0.00 175.17 175.21 1au3 n GLU 153 N 4.40 0.18 0.09 4.34 -0.00 -1.26 -3.12 120.64 125.27 1au3 n GLU 153 Ca -0.21 0.45 -0.06 0.00 -0.00 0.00 0.00 57.16 57.33 1au3 n GLU 153 Cb 0.56 -1.87 0.04 0.00 -0.00 0.00 0.00 31.44 30.17 1au3 n GLU 153 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1au3 h SER 154 N 0.00 0.19 -1.20 -1.84 0.02 -2.05 -3.46 113.55 105.20 1au3 h SER 154 Ca 0.00 -0.14 -0.81 0.00 -0.84 0.00 0.00 61.79 60.01 1au3 h SER 154 Cb 0.31 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.82 1au3 h SER 154 CO 0.00 0.89 0.58 0.00 -1.14 0.00 0.00 176.83 177.16 1au3 s ASN 156 N 2.23 6.20 0.29 0.00 3.84 -1.26 -4.60 114.94 121.64 1au3 s ASN 156 Ca 0.98 -0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.89 1au3 s ASN 156 Cb -1.29 -2.21 0.88 0.00 -0.55 0.00 0.00 41.25 38.08 1au3 s ASN 156 CO 0.69 -0.42 1.45 -1.20 -2.79 0.00 0.00 177.10 174.83 1au3 n SER 157 N 5.48 0.42 -0.32 -4.21 7.64 -1.26 -0.64 113.62 120.73 1au3 n SER 157 Ca -0.08 0.65 0.05 0.00 1.01 0.00 0.00 58.87 60.50 1au3 n SER 157 Cb 0.49 -0.67 0.11 0.00 -1.01 0.00 0.00 64.21 63.13 1au3 n SER 157 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1au3 n ASP 158 N -2.09 2.60 -2.97 6.43 8.00 -1.26 -4.40 116.55 122.85 1au3 n ASP 158 Ca -0.01 -2.34 -0.35 0.00 0.71 0.00 0.00 54.79 52.80 1au3 n ASP 158 Cb 0.15 -0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1au3 n ASP 158 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1au3 n ASN 159 N -0.38 6.32 -4.66 -2.24 5.15 0.19 -5.00 115.26 114.64 1au3 n ASN 159 Ca 0.09 -3.75 -0.42 0.00 -0.60 0.00 0.00 54.58 49.90 1au3 n ASN 159 Cb 0.46 -0.86 -0.03 0.00 -0.53 0.00 0.00 39.78 38.83 1au3 n ASN 159 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1au3 s LEU 160 N -3.91 4.36 0.00 1.20 1.02 -1.26 -4.00 118.68 116.08 1au3 s LEU 160 Ca 0.48 2.46 0.00 0.00 0.02 0.00 0.00 54.13 57.09 1au3 s LEU 160 Cb 0.35 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 43.03 1au3 s LEU 160 CO -0.26 -1.03 0.31 -0.46 0.02 0.00 0.00 176.35 174.93 1au3 n ASN 161 N 7.51 0.00 -3.67 2.29 0.23 -0.67 -4.95 115.26 116.00 1au3 n ASN 161 Ca 0.19 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.16 1au3 n ASN 161 Cb 0.42 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.03 1au3 n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1au3 s HIS 162 N 0.00 -0.87 -0.05 -2.53 5.04 -0.71 -4.88 115.29 111.29 1au3 s HIS 162 Ca 0.00 1.71 -0.15 0.00 -1.54 0.00 0.00 55.06 55.08 1au3 s HIS 162 Cb 0.00 0.45 -0.05 0.00 0.04 0.00 0.00 32.58 33.02 1au3 s HIS 162 CO 0.00 -0.47 0.40 0.00 -2.34 0.00 0.00 174.74 172.33 1au3 s ALA 163 N 1.94 3.64 0.34 1.58 0.00 -1.26 -0.53 121.76 127.46 1au3 s ALA 163 Ca -0.07 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.71 1au3 s ALA 163 Cb -0.09 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1au3 s ALA 163 CO -0.16 0.33 0.29 1.55 0.00 0.00 0.00 175.76 177.78 1au3 n VAL 164 N 2.44 0.00 -5.16 0.00 3.14 0.74 -4.54 118.33 114.95 1au3 n VAL 164 Ca -0.12 -2.50 -0.30 0.00 -2.96 0.00 0.00 64.34 58.46 1au3 n VAL 164 Cb 0.52 1.25 -0.16 0.00 -1.06 0.00 0.00 33.84 34.38 1au3 n VAL 164 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1au3 s LEU 165 N 0.00 2.03 -0.60 6.55 2.96 -0.96 -1.84 118.68 126.83 1au3 s LEU 165 Ca 0.41 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.63 1au3 s LEU 165 Cb 0.02 -1.29 0.08 0.00 0.50 0.00 0.00 46.19 45.50 1au3 s LEU 165 CO 0.29 0.21 0.80 0.00 -1.32 0.00 0.00 176.35 176.33 1au3 s ALA 166 N -0.04 3.29 -0.35 5.97 0.00 0.02 -0.49 121.76 130.17 1au3 s ALA 166 Ca -0.06 -1.97 0.09 0.00 0.00 0.00 0.00 51.96 50.02 1au3 s ALA 166 Cb -0.14 -3.64 0.74 0.00 0.00 0.00 0.00 23.12 20.09 1au3 s ALA 166 CO 0.04 -2.47 1.84 1.33 0.00 0.00 0.00 175.76 176.50 1au3 n VAL 167 N 5.73 2.99 -3.37 0.00 0.24 -0.72 -2.27 118.33 120.93 1au3 n VAL 167 Ca -0.06 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 1au3 n VAL 167 Cb 0.44 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1au3 n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1au3 n GLY 168 N -0.28 -0.59 3.61 7.63 0.00 -1.23 -1.74 105.19 112.59 1au3 n GLY 168 Ca 0.44 -1.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 1au3 n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1au3 s TYR 169 N -2.93 -0.12 0.00 1.61 -0.85 -0.46 -3.18 117.35 111.41 1au3 s TYR 169 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 1au3 s TYR 169 Cb 0.00 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.84 1au3 s TYR 169 CO 0.00 -0.16 0.00 0.41 -1.52 0.00 0.00 175.55 174.28 1au3 n GLY 170 N 0.19 1.36 3.28 5.49 0.00 -0.28 -0.82 105.19 114.40 1au3 n GLY 170 Ca -0.01 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1au3 n GLY 170 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1au3 s ILE 171 N 0.68 0.07 -0.26 -0.61 2.07 -1.26 -1.69 121.20 120.20 1au3 s ILE 171 Ca 0.00 -0.56 -0.08 0.00 -1.41 0.00 0.00 60.65 58.60 1au3 s ILE 171 Cb 0.00 -0.90 0.12 0.00 0.13 0.00 0.00 42.46 41.80 1au3 s ILE 171 CO 0.00 -0.31 0.55 -1.58 -1.91 0.00 0.00 174.94 171.69 1au3 s GLN 172 N -2.34 0.47 -1.54 3.50 0.74 0.18 -4.87 119.66 115.80 1au3 s GLN 172 Ca -0.06 1.25 -0.07 0.00 0.05 0.00 0.00 55.36 56.52 1au3 s GLN 172 Cb -0.01 0.61 0.06 0.00 1.10 0.00 0.00 33.01 34.77 1au3 s GLN 172 CO -0.02 -0.24 0.52 1.63 -0.55 0.00 0.00 175.29 176.63 1au3 n LYS 173 N 5.42 -3.02 0.00 1.67 4.76 -1.26 0.34 118.16 126.08 1au3 n LYS 173 Ca -0.10 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1au3 n LYS 173 Cb 0.49 -4.66 0.00 0.00 -1.84 0.00 0.00 35.03 29.02 1au3 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1au3 n GLY 174 N -1.82 2.84 3.55 0.72 0.00 -1.26 -5.01 105.19 104.22 1au3 n GLY 174 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1au3 n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1au3 s ASN 175 N -1.64 6.38 -0.17 1.61 0.01 0.15 -5.03 114.94 116.26 1au3 s ASN 175 Ca 0.00 -0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 51.83 1au3 s ASN 175 Cb 0.00 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 1au3 s ASN 175 CO 0.00 -0.62 1.16 -0.54 -1.51 0.00 0.00 177.10 175.58 1au3 s LYS 176 N 2.68 4.27 0.48 -0.60 1.02 -1.26 0.51 119.74 126.85 1au3 s LYS 176 Ca 0.23 1.54 0.02 0.00 0.02 0.00 0.00 55.97 57.78 1au3 s LYS 176 Cb -0.15 -3.68 -0.02 0.00 -0.52 0.00 0.00 37.83 33.47 1au3 s LYS 176 CO 0.16 -0.62 0.04 -3.38 -0.92 0.00 0.00 175.35 170.63 1au3 s HIS 177 N 3.11 1.84 0.20 3.18 -3.43 -0.68 -1.61 115.29 117.91 1au3 s HIS 177 Ca 0.51 -1.05 0.09 0.00 -0.80 0.00 0.00 55.06 53.81 1au3 s HIS 177 Cb -0.20 -1.48 -0.04 0.00 -1.43 0.00 0.00 32.58 29.43 1au3 s HIS 177 CO 0.13 0.08 -0.09 -1.58 -2.00 0.00 0.00 174.74 171.27 1au3 s TRP 178 N -2.97 2.61 -0.23 0.38 0.52 0.40 -1.13 118.94 118.52 1au3 s TRP 178 Ca 0.11 -0.24 -0.05 0.00 0.02 0.00 0.00 56.10 55.94 1au3 s TRP 178 Cb 0.02 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 1au3 s TRP 178 CO 0.06 0.54 -0.00 0.42 0.02 0.00 0.00 176.95 178.00 1au3 s ILE 179 N -1.86 3.75 -0.12 2.03 1.01 -1.19 -2.98 121.20 121.83 1au3 s ILE 179 Ca 0.26 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1au3 s ILE 179 Cb -0.08 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 1au3 s ILE 179 CO 0.16 0.40 -0.18 -0.63 0.00 0.00 0.00 174.94 174.68 1au3 s ILE 180 N 1.47 2.52 -0.29 2.92 -1.09 -0.35 -1.75 121.20 124.63 1au3 s ILE 180 Ca 0.05 -0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.45 1au3 s ILE 180 Cb -0.15 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1au3 s ILE 180 CO -0.00 0.54 0.54 -0.75 -1.23 0.00 0.00 174.94 174.04 1au3 s LYS 181 N 0.48 3.93 0.22 2.79 2.20 0.36 -1.89 119.74 127.84 1au3 s LYS 181 Ca -0.12 0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.75 1au3 s LYS 181 Cb -0.17 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1au3 s LYS 181 CO 0.05 -0.47 0.24 1.21 -0.36 0.00 0.00 175.35 176.02 1au3 s ASN 182 N 1.62 5.80 -0.56 1.43 2.47 -0.60 -2.26 114.94 122.84 1au3 s ASN 182 Ca 0.22 -0.11 0.03 0.00 0.42 0.00 0.00 52.86 53.41 1au3 s ASN 182 Cb -0.15 -1.57 0.41 0.00 -1.45 0.00 0.00 41.25 38.48 1au3 s ASN 182 CO 0.11 -0.02 1.47 -1.54 -3.72 0.00 0.00 177.10 173.40 1au3 n SER 183 N -1.04 5.83 -0.25 -4.21 3.41 -1.26 -4.57 113.62 111.53 1au3 n SER 183 Ca -0.08 -3.77 0.03 0.00 -0.26 0.00 0.00 58.87 54.79 1au3 n SER 183 Cb 0.57 -0.67 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1au3 n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1au3 n TRP 184 N -0.56 0.05 0.00 7.33 8.01 -1.26 -1.76 117.44 129.24 1au3 n TRP 184 Ca 0.46 -0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.55 1au3 n TRP 184 Cb 0.57 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 1au3 n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1au3 n GLY 185 N 0.26 2.96 0.28 6.99 0.00 -1.13 -4.61 105.19 109.93 1au3 n GLY 185 Ca 0.04 -1.94 0.18 0.00 0.00 0.00 0.00 46.02 44.30 1au3 n GLY 185 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1au3 h GLU 186 N 0.00 0.00 -0.69 1.61 4.57 -1.79 -2.88 114.58 115.39 1au3 h GLU 186 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1au3 h GLU 186 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1au3 h GLU 186 CO 0.00 0.00 0.06 -1.71 -1.18 0.00 0.00 179.01 176.18 1au3 n ASN 187 N -3.03 4.80 -4.56 1.04 4.05 -1.26 -2.96 115.26 113.33 1au3 n ASN 187 Ca -0.00 -2.84 -0.31 0.00 0.45 0.00 0.00 54.58 51.87 1au3 n ASN 187 Cb 0.24 -0.67 -0.11 0.00 1.23 0.00 0.00 39.78 40.47 1au3 n ASN 187 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 1au3 s TRP 188 N -2.50 2.77 0.00 1.20 -0.00 -1.09 -4.96 118.94 114.37 1au3 s TRP 188 Ca 0.46 -0.12 0.00 0.00 -0.00 0.00 0.00 56.10 56.43 1au3 s TRP 188 Cb 0.35 -1.52 0.00 0.00 -0.00 0.00 0.00 33.47 32.30 1au3 s TRP 188 CO 0.13 0.36 0.00 0.41 -0.00 0.00 0.00 176.95 177.85 1au3 n GLY 189 N 1.27 0.83 3.51 5.86 0.00 -1.22 -0.31 105.19 115.14 1au3 n GLY 189 Ca -0.15 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1au3 n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1au3 s ASN 190 N -4.00 6.29 -1.50 1.61 3.84 -0.31 -4.14 114.94 116.73 1au3 s ASN 190 Ca 0.00 -1.02 -0.13 0.00 0.21 0.00 0.00 52.86 51.92 1au3 s ASN 190 Cb 0.00 -2.50 0.08 0.00 -0.55 0.00 0.00 41.25 38.29 1au3 s ASN 190 CO 0.00 -1.55 0.83 0.29 -2.79 0.00 0.00 177.10 173.88 1au3 n LYS 191 N 8.41 -4.80 -0.70 0.43 5.02 -1.25 -0.76 118.16 124.52 1au3 n LYS 191 Ca 0.10 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1au3 n LYS 191 Cb 0.48 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1au3 n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1au3 n GLY 192 N -1.54 0.68 3.37 0.72 0.00 0.57 -4.79 105.19 104.21 1au3 n GLY 192 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1au3 n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1au3 s TYR 193 N -2.24 1.96 -0.04 1.61 1.51 0.06 -1.56 117.35 118.67 1au3 s TYR 193 Ca 0.00 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1au3 s TYR 193 Cb 0.00 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1au3 s TYR 193 CO 0.00 0.41 -0.07 -1.50 -1.11 0.00 0.00 175.55 173.28 1au3 s ILE 194 N -2.09 0.66 -1.18 2.71 2.07 -0.79 -1.16 121.20 121.42 1au3 s ILE 194 Ca 0.19 -0.24 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 1au3 s ILE 194 Cb -0.06 -0.63 0.22 0.00 0.13 0.00 0.00 42.46 42.12 1au3 s ILE 194 CO 0.08 0.23 2.04 0.18 -1.91 0.00 0.00 174.94 175.56 1au3 n LEU 195 N 3.66 7.52 -4.45 8.50 4.77 -1.26 -1.21 117.00 134.54 1au3 n LEU 195 Ca -0.22 -5.10 -0.35 0.00 -0.03 0.00 0.00 56.01 50.31 1au3 n LEU 195 Cb 0.53 -1.28 0.10 0.00 -2.33 0.00 0.00 43.42 40.43 1au3 n LEU 195 CO 0.24 1.97 0.02 0.23 -1.33 0.00 0.00 177.39 178.52 1au3 n MET 196 N 1.14 0.03 -2.32 3.23 2.81 -1.16 -2.49 117.12 118.36 1au3 n MET 196 Ca 0.51 0.06 -0.36 0.00 -1.81 0.00 0.00 57.70 56.10 1au3 n MET 196 Cb 0.27 -1.87 -0.01 0.00 -0.71 0.00 0.00 33.22 30.90 1au3 n MET 196 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1au3 s ALA 197 N -2.14 2.85 0.04 3.04 0.00 -0.56 -0.45 121.76 124.54 1au3 s ALA 197 Ca 0.62 0.83 0.05 0.00 0.00 0.00 0.00 51.96 53.45 1au3 s ALA 197 Cb -0.28 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1au3 s ALA 197 CO 0.62 -0.63 -0.14 0.50 0.00 0.00 0.00 175.76 176.11 1au3 s ARG 198 N -3.01 0.91 0.00 0.00 3.52 -0.63 -4.59 118.95 115.15 1au3 s ARG 198 Ca 0.68 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1au3 s ARG 198 Cb -0.24 -0.91 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 1au3 s ARG 198 CO 0.29 0.22 0.00 0.09 -0.81 0.00 0.00 175.30 175.09 1au3 n ASN 199 N 1.84 0.00 -3.30 -2.12 3.02 -1.26 -4.64 115.26 108.79 1au3 n ASN 199 Ca -0.18 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1au3 n ASN 199 Cb 0.55 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1au3 n ASN 199 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1au3 n LYS 200 N 0.00 0.00 -3.77 3.52 4.76 -1.26 -4.07 118.16 117.34 1au3 n LYS 200 Ca 0.00 -0.21 -0.33 0.00 -2.87 0.00 0.00 58.31 54.90 1au3 n LYS 200 Cb 0.00 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1au3 n LYS 200 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1au3 n ASN 201 N 3.57 -4.39 -3.95 4.39 3.02 -1.26 -2.58 115.26 114.06 1au3 n ASN 201 Ca 0.00 -1.05 -0.30 0.00 -0.03 0.00 0.00 54.58 53.20 1au3 n ASN 201 Cb 0.00 -3.11 0.02 0.00 -0.61 0.00 0.00 39.78 36.08 1au3 n ASN 201 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1au3 n ASN 202 N -2.65 -4.25 -4.22 6.41 5.15 -1.26 -4.82 115.26 109.62 1au3 n ASN 202 Ca -0.13 -0.82 -0.48 0.00 -0.60 0.00 0.00 54.58 52.55 1au3 n ASN 202 Cb 0.60 -3.72 -0.04 0.00 -0.53 0.00 0.00 39.78 36.10 1au3 n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1au3 n ALA 203 N -4.61 -2.93 -0.63 5.20 0.00 -1.06 -0.72 120.51 115.76 1au3 n ALA 203 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1au3 n ALA 203 Cb 0.53 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1au3 n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au3 n GLY 205 N 0.23 0.19 0.26 0.00 0.00 0.10 -2.42 105.19 103.54 1au3 n GLY 205 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1au3 n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1au3 h ILE 206 N -1.21 1.28 -0.44 -0.61 2.10 -1.50 -3.21 117.51 113.92 1au3 h ILE 206 Ca -0.28 -1.45 -0.03 0.00 1.08 0.00 0.00 64.86 64.19 1au3 h ILE 206 Cb 1.18 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 38.21 1au3 h ILE 206 CO 0.28 0.48 0.04 0.00 -1.08 0.00 0.00 178.15 177.86 1au3 n ALA 207 N -2.51 3.61 -0.04 0.18 0.00 -1.26 -4.29 120.51 116.19 1au3 n ALA 207 Ca -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 53.44 51.96 1au3 n ALA 207 Cb 0.48 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 1au3 n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1au3 n ASN 208 N 0.36 0.35 -2.30 0.00 3.02 -1.21 0.77 115.26 116.24 1au3 n ASN 208 Ca 0.22 0.16 -0.11 0.00 -0.03 0.00 0.00 54.58 54.82 1au3 n ASN 208 Cb 0.97 0.80 0.04 0.00 -0.61 0.00 0.00 39.78 40.98 1au3 n ASN 208 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1au3 n LEU 209 N -2.75 3.17 -4.86 3.41 7.94 -1.26 -4.66 117.00 117.99 1au3 n LEU 209 Ca -0.20 -3.83 -0.35 0.00 -1.11 0.00 0.00 56.01 50.52 1au3 n LEU 209 Cb 0.96 0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.89 1au3 n LEU 209 CO 0.44 1.53 0.08 0.00 -1.11 0.00 0.00 177.39 178.33 1au3 s ALA 210 N -3.53 3.72 -0.24 1.96 0.00 -1.26 -3.99 121.76 118.42 1au3 s ALA 210 Ca 0.39 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 1au3 s ALA 210 Cb 0.37 -2.30 0.07 0.00 0.00 0.00 0.00 23.12 21.26 1au3 s ALA 210 CO -0.01 0.54 0.74 -1.54 0.00 0.00 0.00 175.76 175.49 1au3 s SER 211 N -1.59 -0.72 0.24 0.00 1.04 0.18 -2.16 113.70 110.70 1au3 s SER 211 Ca 0.31 1.31 0.11 0.00 0.48 0.00 0.00 55.95 58.15 1au3 s SER 211 Cb -0.15 1.30 -0.05 0.00 0.10 0.00 0.00 66.02 67.23 1au3 s SER 211 CO 0.17 -0.29 -0.14 0.72 0.98 0.00 0.00 173.24 174.68 1au3 s PHE 212 N 0.15 2.47 0.19 5.02 -0.12 -0.57 -2.15 117.98 122.97 1au3 s PHE 212 Ca -0.01 -0.28 -0.09 0.00 -0.05 0.00 0.00 56.93 56.50 1au3 s PHE 212 Cb -0.04 -1.14 -0.07 0.00 -0.63 0.00 0.00 43.02 41.14 1au3 s PHE 212 CO 0.02 0.60 0.50 -1.25 -0.05 0.00 0.00 175.22 175.04 1au3 s PRO 213 N -3.21 3.76 -0.22 1.99 0.04 -1.26 -1.02 135.00 135.07 1au3 s PRO 213 Ca 0.27 0.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.37 1au3 s PRO 213 Cb -0.07 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1au3 s PRO 213 CO 0.15 0.38 0.29 0.15 0.04 0.00 0.00 177.00 178.01 1au3 s LYS 214 N -2.68 4.12 0.00 4.56 1.02 0.11 -4.88 119.74 121.99 1au3 s LYS 214 Ca 0.44 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.46 1au3 s LYS 214 Cb -0.12 -3.54 0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1au3 s LYS 214 CO 0.22 -0.00 0.67 -0.12 -0.92 0.00 0.00 175.35 175.19