#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axy s GLU 2 N 0.00 3.10 0.11 1.45 2.12 -0.06 -4.88 118.70 120.54 1axy s GLU 2 Ca 0.00 -0.77 0.08 0.00 0.36 0.00 0.00 54.97 54.64 1axy s GLU 2 Cb 0.00 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 1axy s GLU 2 CO 0.00 -0.90 -0.14 0.99 -0.54 0.00 0.00 175.26 174.67 1axy s THR 3 N 2.19 3.09 -0.11 -1.70 2.01 -1.26 -0.36 115.64 119.50 1axy s THR 3 Ca 0.12 -1.40 -0.09 0.00 0.31 0.00 0.00 61.69 60.64 1axy s THR 3 Cb -0.17 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 69.94 1axy s THR 3 CO 0.13 0.10 0.28 -0.51 -0.69 0.00 0.00 174.62 173.94 1axy s ILE 4 N -1.18 -0.01 0.04 1.82 2.07 -0.69 -5.00 121.20 118.25 1axy s ILE 4 Ca 0.20 0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.25 1axy s ILE 4 Cb -0.11 -0.40 0.05 0.00 0.13 0.00 0.00 42.46 42.13 1axy s ILE 4 CO 0.12 0.01 0.51 -0.94 -1.91 0.00 0.00 174.94 172.73 1axy s SER 5 N 0.44 -0.43 0.10 4.50 1.04 -1.26 -0.88 113.70 117.21 1axy s SER 5 Ca -0.02 0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.45 1axy s SER 5 Cb -0.04 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1axy s SER 5 CO -0.02 -0.70 0.35 0.72 0.98 0.00 0.00 173.24 174.57 1axy s PHE 6 N -2.34 -0.13 -0.25 5.02 -0.12 -0.16 -4.98 117.98 115.02 1axy s PHE 6 Ca -0.06 -0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 56.59 1axy s PHE 6 Cb -0.01 0.18 0.13 0.00 -0.63 0.00 0.00 43.02 42.69 1axy s PHE 6 CO -0.01 -0.64 0.50 0.45 -0.05 0.00 0.00 175.22 175.47 1axy s SER 7 N -2.69 -0.57 -0.39 1.98 0.15 -1.26 -1.04 113.70 109.88 1axy s SER 7 Ca 0.02 0.92 -0.04 0.00 0.70 0.00 0.00 55.95 57.55 1axy s SER 7 Cb 0.02 1.68 0.09 0.00 -1.71 0.00 0.00 66.02 66.10 1axy s SER 7 CO -0.10 -0.25 0.17 -0.36 1.20 0.00 0.00 173.24 173.90 1axy s PHE 8 N 2.71 3.46 0.30 3.44 0.08 0.38 -4.92 117.98 123.44 1axy s PHE 8 Ca 0.06 -2.09 0.17 0.00 0.12 0.00 0.00 56.93 55.19 1axy s PHE 8 Cb -0.13 -2.91 0.80 0.00 -0.57 0.00 0.00 43.02 40.21 1axy s PHE 8 CO -0.17 -0.90 1.82 0.77 -0.10 0.00 0.00 175.22 176.64 1axy h SER 9 N 8.12 0.00 -5.03 1.36 0.02 -1.87 -1.24 113.55 114.91 1axy h SER 9 Ca -0.17 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1axy h SER 9 Cb 1.06 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.52 1axy h SER 9 CO 0.67 0.35 0.17 -1.83 -1.14 0.00 0.00 176.83 175.06 1axy s GLU 10 N -3.95 1.57 -0.07 3.45 -1.05 -1.25 -4.47 118.70 112.92 1axy s GLU 10 Ca -0.02 -0.84 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1axy s GLU 10 Cb 0.13 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.37 1axy s GLU 10 CO 0.69 -0.70 -0.00 -0.06 0.95 0.00 0.00 175.26 176.14 1axy s PHE 11 N -3.87 3.14 -0.15 4.83 0.08 -0.66 -5.00 117.98 116.36 1axy s PHE 11 Ca 0.08 0.17 -0.00 0.00 0.12 0.00 0.00 56.93 57.30 1axy s PHE 11 Cb -0.04 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1axy s PHE 11 CO -0.00 0.46 -0.13 -1.83 -0.10 0.00 0.00 175.22 173.63 1axy s GLU 12 N -0.97 3.34 0.44 0.44 -1.05 -1.26 -4.04 118.70 115.60 1axy s GLU 12 Ca 0.14 -0.69 -0.25 0.00 -0.15 0.00 0.00 54.97 54.01 1axy s GLU 12 Cb -0.11 -2.67 -0.09 0.00 -0.44 0.00 0.00 34.13 30.82 1axy s GLU 12 CO 0.03 0.12 1.34 -2.30 0.95 0.00 0.00 175.26 175.41 1axy n PRO 13 N 3.79 2.06 0.00 -4.83 -0.02 -1.26 -2.54 135.00 132.19 1axy n PRO 13 Ca -0.18 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1axy n PRO 13 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1axy n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1axy n GLY 14 N 0.71 2.10 3.64 -1.23 0.00 -1.26 -5.02 105.19 104.13 1axy n GLY 14 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 1axy n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1axy n ASN 15 N 0.00 2.44 -1.66 1.61 2.85 -1.05 -4.90 115.26 114.55 1axy n ASN 15 Ca 0.00 1.13 0.09 0.00 -0.11 0.00 0.00 54.58 55.69 1axy n ASN 15 Cb 0.00 -1.36 0.37 0.00 1.24 0.00 0.00 39.78 40.03 1axy n ASN 15 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1axy n ASP 16 N 2.47 4.93 -0.63 1.20 5.68 -1.26 -4.12 116.55 124.82 1axy n ASP 16 Ca 0.14 -2.50 0.13 0.00 -0.50 0.00 0.00 54.79 52.06 1axy n ASP 16 Cb 0.28 -0.60 0.28 0.00 -1.14 0.00 0.00 41.12 39.94 1axy n ASP 16 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1axy n ASN 17 N 1.13 2.05 -4.04 -1.12 3.02 -1.26 -4.85 115.26 110.19 1axy n ASN 17 Ca 0.27 -1.60 -0.22 0.00 -0.03 0.00 0.00 54.58 52.99 1axy n ASN 17 Cb 0.93 0.08 -0.16 0.00 -0.61 0.00 0.00 39.78 40.03 1axy n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1axy s LEU 18 N -2.13 1.82 -0.39 3.41 1.43 -1.26 -1.21 118.68 120.35 1axy s LEU 18 Ca 0.30 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1axy s LEU 18 Cb 0.20 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.76 1axy s LEU 18 CO 0.38 0.09 0.26 -0.89 0.23 0.00 0.00 176.35 176.43 1axy s THR 19 N 0.15 5.02 -0.09 5.49 2.01 0.27 -4.90 115.64 123.59 1axy s THR 19 Ca -0.03 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 1axy s THR 19 Cb -0.09 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1axy s THR 19 CO 0.01 -0.27 0.54 -0.76 -0.69 0.00 0.00 174.62 173.45 1axy s LEU 20 N 1.64 4.31 0.14 4.42 1.02 -1.26 -1.34 118.68 127.61 1axy s LEU 20 Ca 0.04 0.95 0.07 0.00 0.02 0.00 0.00 54.13 55.20 1axy s LEU 20 Cb -0.19 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 1axy s LEU 20 CO 0.09 0.01 -0.15 -1.10 0.02 0.00 0.00 176.35 175.21 1axy s GLN 21 N 0.47 1.12 7.11 1.70 -0.21 -0.06 -4.98 119.66 124.81 1axy s GLN 21 Ca 0.29 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1axy s GLN 21 Cb -0.16 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1axy s GLN 21 CO 0.13 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 1axy n GLY 22 N 0.37 3.06 0.06 3.09 0.00 -1.26 -1.61 105.19 108.89 1axy n GLY 22 Ca -0.14 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.76 1axy n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1axy n ALA 23 N 10.81 2.73 -1.71 4.61 0.00 0.64 -4.92 120.51 132.66 1axy n ALA 23 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1axy n ALA 23 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1axy n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1axy n ALA 24 N -1.20 1.58 -3.48 0.00 0.00 -1.05 -4.52 120.51 111.85 1axy n ALA 24 Ca 0.12 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.75 1axy n ALA 24 Cb 0.29 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 1axy n ALA 24 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1axy s LEU 25 N -0.99 -0.41 -0.21 0.00 0.05 -0.84 -4.69 118.68 111.58 1axy s LEU 25 Ca 0.58 0.64 -0.11 0.00 0.05 0.00 0.00 54.13 55.28 1axy s LEU 25 Cb -0.56 2.33 -0.05 0.00 -2.05 0.00 0.00 46.19 45.86 1axy s LEU 25 CO 0.59 -0.57 0.19 -0.63 -0.55 0.00 0.00 176.35 175.38 1axy s ILE 26 N -1.17 5.35 0.67 1.48 1.01 -1.26 -1.11 121.20 126.18 1axy s ILE 26 Ca -0.11 0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 1axy s ILE 26 Cb -0.01 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1axy s ILE 26 CO 0.09 0.38 1.02 0.42 0.00 0.00 0.00 174.94 176.85 1axy s THR 27 N 0.74 3.29 0.29 2.92 -4.23 -0.15 -4.74 115.64 113.77 1axy s THR 27 Ca 0.10 0.18 0.36 0.00 -1.18 0.00 0.00 61.69 61.15 1axy s THR 27 Cb -0.13 -3.38 0.40 0.00 1.34 0.00 0.00 72.50 70.74 1axy s THR 27 CO 0.02 -0.44 2.10 1.56 -0.54 0.00 0.00 174.62 177.32 1axy h GLN 28 N -0.50 0.00 -0.00 3.99 1.08 -1.95 -1.17 115.11 116.56 1axy h GLN 28 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1axy h GLN 28 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1axy h GLN 28 CO 0.62 0.02 -0.02 -1.13 -0.95 0.00 0.00 178.83 177.37 1axy n SER 29 N -3.13 0.18 0.00 1.46 3.41 -1.26 -4.91 113.62 109.36 1axy n SER 29 Ca -0.01 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1axy n SER 29 Cb 0.24 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1axy n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1axy n GLY 30 N 1.18 0.67 3.82 5.00 0.00 -0.44 -4.96 105.19 110.47 1axy n GLY 30 Ca 0.18 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1axy n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1axy s VAL 31 N -2.00 5.31 -0.46 1.61 1.01 -1.26 -1.65 120.40 122.96 1axy s VAL 31 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1axy s VAL 31 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.09 1axy s VAL 31 CO 0.00 0.59 0.58 -0.22 0.00 0.00 0.00 175.10 176.04 1axy s LEU 32 N -0.76 4.80 -0.52 3.92 2.96 -0.36 -0.97 118.68 127.75 1axy s LEU 32 Ca 0.13 -0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 53.18 1axy s LEU 32 Cb -0.12 -2.51 0.07 0.00 0.50 0.00 0.00 46.19 44.12 1axy s LEU 32 CO 0.03 -0.77 0.62 -1.10 -1.32 0.00 0.00 176.35 173.81 1axy s GLN 33 N 2.55 3.10 0.18 1.98 -0.21 -0.26 -0.60 119.66 126.40 1axy s GLN 33 Ca 0.16 -0.98 -0.10 0.00 0.02 0.00 0.00 55.36 54.47 1axy s GLN 33 Cb -0.17 -4.12 0.08 0.00 1.00 0.00 0.00 33.01 29.80 1axy s GLN 33 CO 0.14 -1.25 1.69 -0.07 -2.12 0.00 0.00 175.29 173.68 1axy h LEU 34 N 9.69 0.97 -9.18 2.90 3.38 -1.63 -2.24 115.31 119.20 1axy h LEU 34 Ca -0.28 -0.24 -0.66 0.00 0.09 0.00 0.00 57.88 56.80 1axy h LEU 34 Cb 1.09 -0.26 -0.17 0.00 0.09 0.00 0.00 40.66 41.42 1axy h LEU 34 CO 0.98 0.96 -0.77 0.42 0.09 0.00 0.00 178.44 180.11 1axy s THR 35 N -5.30 3.00 0.31 0.22 -4.23 -1.26 -2.96 115.64 105.42 1axy s THR 35 Ca -0.12 -1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 58.55 1axy s THR 35 Cb 0.14 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.44 1axy s THR 35 CO 0.83 0.03 1.51 1.17 -0.54 0.00 0.00 174.62 177.62 1axy n LYS 36 N 0.53 2.55 -4.46 3.99 4.81 -1.26 -4.78 118.16 119.54 1axy n LYS 36 Ca -0.14 0.90 -0.33 0.00 -0.87 0.00 0.00 58.31 57.87 1axy n LYS 36 Cb 0.54 -2.63 -0.15 0.00 0.02 0.00 0.00 35.03 32.80 1axy n LYS 36 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1axy s ILE 37 N -0.40 2.58 1.28 3.15 -1.09 -1.26 -0.63 121.20 124.82 1axy s ILE 37 Ca 0.61 -0.79 -0.20 0.00 -2.23 0.00 0.00 60.65 58.04 1axy s ILE 37 Cb -0.52 -2.09 0.31 0.00 -1.58 0.00 0.00 42.46 38.59 1axy s ILE 37 CO 0.54 0.52 1.03 0.20 -1.23 0.00 0.00 174.94 176.00 1axy s ASN 38 N 0.91 0.20 0.39 3.58 0.02 0.91 -4.87 114.94 116.09 1axy s ASN 38 Ca -0.04 0.80 0.12 0.00 -1.02 0.00 0.00 52.86 52.72 1axy s ASN 38 Cb -0.15 -1.14 0.81 0.00 0.02 0.00 0.00 41.25 40.78 1axy s ASN 38 CO -0.02 -4.58 1.89 0.06 0.02 0.00 0.00 177.10 174.47 1axy h GLN 39 N -2.89 0.07 -0.01 -0.60 -0.00 -2.00 -2.28 115.11 107.39 1axy h GLN 39 Ca -0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1axy h GLN 39 Cb 1.32 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1axy h GLN 39 CO 0.34 0.33 0.00 0.27 -0.00 0.00 0.00 178.83 179.77 1axy n ASN 40 N -4.21 0.22 0.00 0.06 6.94 -1.26 -4.89 115.26 112.11 1axy n ASN 40 Ca -0.02 -1.32 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1axy n ASN 40 Cb 0.33 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 1axy n ASN 40 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1axy n GLY 41 N 0.90 0.81 3.88 4.83 0.00 -0.86 -5.05 105.19 109.70 1axy n GLY 41 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1axy n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1axy s MET 42 N -0.26 3.70 0.24 1.61 -1.94 -1.26 -4.80 119.30 116.59 1axy s MET 42 Ca 0.00 0.08 -0.30 0.00 -1.71 0.00 0.00 55.69 53.76 1axy s MET 42 Cb 0.00 -2.97 -0.09 0.00 2.01 0.00 0.00 34.83 33.78 1axy s MET 42 CO 0.00 0.55 1.21 -1.25 -0.01 0.00 0.00 175.02 175.53 1axy s PRO 43 N -2.06 4.48 0.17 2.03 0.04 -1.26 -0.06 135.00 138.34 1axy s PRO 43 Ca 0.34 1.96 -0.23 0.00 0.04 0.00 0.00 61.00 63.11 1axy s PRO 43 Cb -0.13 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.14 1axy s PRO 43 CO 0.19 -0.06 0.72 0.00 0.04 0.00 0.00 177.00 177.90 1axy s ALA 44 N -0.51 3.46 0.77 8.56 0.00 0.19 -4.73 121.76 129.50 1axy s ALA 44 Ca 0.51 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 1axy s ALA 44 Cb -0.35 -2.86 0.07 0.00 0.00 0.00 0.00 23.12 19.99 1axy s ALA 44 CO 0.41 0.32 1.12 1.67 0.00 0.00 0.00 175.76 179.28 1axy s TRP 45 N -1.26 2.91 -1.30 0.00 1.48 -1.26 -4.32 118.94 115.18 1axy s TRP 45 Ca 0.37 0.62 -0.03 0.00 -1.06 0.00 0.00 56.10 55.99 1axy s TRP 45 Cb -0.20 -3.39 0.01 0.00 -1.16 0.00 0.00 33.47 28.73 1axy s TRP 45 CO 0.23 -1.65 0.94 -3.47 -4.06 0.00 0.00 176.95 168.94 1axy n ASP 46 N -3.17 -2.88 -4.13 -2.66 2.03 0.79 -4.92 116.55 101.60 1axy n ASP 46 Ca 0.08 -0.69 -0.23 0.00 0.52 0.00 0.00 54.79 54.48 1axy n ASP 46 Cb 0.61 -4.62 -0.15 0.00 -0.72 0.00 0.00 41.12 36.24 1axy n ASP 46 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1axy s SER 47 N -4.05 1.77 -0.02 1.67 0.15 -1.26 -4.96 113.70 107.00 1axy s SER 47 Ca 0.19 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1axy s SER 47 Cb -0.09 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1axy s SER 47 CO 0.77 0.16 0.02 -0.89 1.20 0.00 0.00 173.24 174.50 1axy s THR 48 N -0.45 -0.01 -0.02 6.45 2.01 -1.26 -0.42 115.64 121.93 1axy s THR 48 Ca 0.05 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1axy s THR 48 Cb -0.06 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1axy s THR 48 CO -0.00 0.10 0.11 -0.83 -0.69 0.00 0.00 174.62 173.31 1axy s GLY 49 N 1.07 -0.01 0.15 4.40 0.00 -0.66 -0.26 107.32 112.00 1axy s GLY 49 Ca -0.09 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.73 1axy s GLY 49 CO -0.03 0.01 -0.02 0.50 0.00 0.00 0.00 173.10 173.57 1axy s ARG 50 N -0.56 1.01 -0.10 2.90 0.52 -0.63 -0.88 118.95 121.21 1axy s ARG 50 Ca -0.06 -1.46 -0.04 0.00 -0.52 0.00 0.00 55.73 53.65 1axy s ARG 50 Cb -0.04 -0.21 0.05 0.00 0.52 0.00 0.00 34.95 35.28 1axy s ARG 50 CO 0.00 -0.10 0.20 0.99 0.02 0.00 0.00 175.30 176.41 1axy s THR 51 N -3.68 -0.32 -0.01 0.02 2.01 -0.08 -0.88 115.64 112.70 1axy s THR 51 Ca 0.20 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.57 1axy s THR 51 Cb 0.06 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1axy s THR 51 CO 0.01 0.13 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.16 1axy s LEU 52 N 2.34 2.69 0.35 4.42 1.02 -0.45 -1.26 118.68 127.79 1axy s LEU 52 Ca 0.02 -0.28 -0.28 0.00 0.02 0.00 0.00 54.13 53.61 1axy s LEU 52 Cb -0.12 -1.56 -0.10 0.00 0.02 0.00 0.00 46.19 44.44 1axy s LEU 52 CO -0.07 0.31 1.29 -0.47 0.02 0.00 0.00 176.35 177.43 1axy s TYR 53 N -0.81 3.02 -1.04 0.29 5.04 -0.56 -0.57 117.35 122.72 1axy s TYR 53 Ca 0.13 1.43 0.11 0.00 -2.44 0.00 0.00 57.07 56.31 1axy s TYR 53 Cb -0.11 -3.64 0.50 0.00 0.35 0.00 0.00 41.96 39.06 1axy s TYR 53 CO 0.03 -1.82 1.36 0.00 -1.34 0.00 0.00 175.55 173.77 1axy n ALA 54 N 0.63 1.54 -2.77 3.97 0.00 -0.35 -4.69 120.51 118.84 1axy n ALA 54 Ca 0.01 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1axy n ALA 54 Cb 0.43 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.53 1axy n ALA 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1axy s LYS 55 N -2.96 2.64 0.60 0.00 1.02 -1.26 -5.06 119.74 114.72 1axy s LYS 55 Ca 0.06 -0.87 -0.16 0.00 0.02 0.00 0.00 55.97 55.01 1axy s LYS 55 Cb 0.07 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1axy s LYS 55 CO 0.21 0.38 1.08 -1.25 -0.92 0.00 0.00 175.35 174.85 1axy s PRO 56 N -0.14 3.17 -0.11 -1.68 0.04 -1.26 -4.76 135.00 130.26 1axy s PRO 56 Ca -0.04 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1axy s PRO 56 Cb -0.14 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1axy s PRO 56 CO 0.04 -0.95 -0.05 0.08 0.04 0.00 0.00 177.00 176.16 1axy s VAL 57 N -2.28 3.81 -0.68 -0.36 1.01 0.81 -4.90 120.40 117.82 1axy s VAL 57 Ca 0.66 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 1axy s VAL 57 Cb -0.19 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1axy s VAL 57 CO 0.36 0.55 1.09 -2.28 0.00 0.00 0.00 175.10 174.82 1axy s HIS 58 N -0.27 2.53 -0.02 5.22 2.46 -1.26 -1.14 115.29 122.81 1axy s HIS 58 Ca 0.04 -0.28 0.06 0.00 0.47 0.00 0.00 55.06 55.34 1axy s HIS 58 Cb -0.13 -4.41 -0.24 0.00 -0.13 0.00 0.00 32.58 27.67 1axy s HIS 58 CO 0.02 -1.78 0.77 0.97 -2.47 0.00 0.00 174.74 172.25 1axy h ILE 59 N 6.00 1.02 -2.95 0.89 6.09 -1.10 -3.44 117.51 124.03 1axy h ILE 59 Ca -0.28 -2.79 -0.03 0.00 -1.37 0.00 0.00 64.86 60.39 1axy h ILE 59 Cb 1.06 2.58 -0.13 0.00 0.47 0.00 0.00 36.82 40.80 1axy h ILE 59 CO 1.21 0.69 0.16 -1.66 -3.07 0.00 0.00 178.15 175.48 1axy s TRP 60 N -2.61 -0.50 -0.16 2.19 1.48 -1.14 -0.13 118.94 118.07 1axy s TRP 60 Ca -0.07 0.35 0.01 0.00 -1.06 0.00 0.00 56.10 55.33 1axy s TRP 60 Cb 0.08 0.49 0.02 0.00 -1.16 0.00 0.00 33.47 32.90 1axy s TRP 60 CO 0.82 -0.79 -0.18 0.34 -4.06 0.00 0.00 176.95 173.08 1axy s ASP 61 N -2.56 2.90 0.32 -2.66 2.15 -0.60 -4.54 116.67 111.68 1axy s ASP 61 Ca -0.00 -0.56 0.04 0.00 0.43 0.00 0.00 52.55 52.45 1axy s ASP 61 Cb -0.01 -1.33 0.56 0.00 -0.30 0.00 0.00 42.92 41.84 1axy s ASP 61 CO -0.10 -0.01 1.85 -0.03 -0.17 0.00 0.00 175.17 176.71 1axy h MET 62 N 7.84 0.55 -0.13 4.34 4.05 -1.94 0.33 114.93 129.95 1axy h MET 62 Ca -0.40 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 58.89 1axy h MET 62 Cb 1.15 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 1axy h MET 62 CO 0.57 0.59 0.06 1.15 0.23 0.00 0.00 176.91 179.51 1axy h THR 63 N 0.52 1.14 0.00 -0.77 2.02 -1.97 -3.26 112.91 110.59 1axy h THR 63 Ca 0.11 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1axy h THR 63 Cb 0.37 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1axy h THR 63 CO 0.01 0.13 -1.27 0.35 0.37 0.00 0.00 175.52 175.11 1axy n THR 64 N -4.90 0.00 -0.93 3.16 -2.24 -1.21 -4.98 114.28 103.18 1axy n THR 64 Ca -0.05 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1axy n THR 64 Cb 0.11 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1axy n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1axy n GLY 65 N 1.43 0.50 3.80 3.38 0.00 0.11 -5.00 105.19 109.42 1axy n GLY 65 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1axy n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1axy s THR 66 N -2.31 4.17 0.05 2.61 -4.23 -1.22 -4.85 115.64 109.85 1axy s THR 66 Ca 0.00 1.50 0.05 0.00 -1.18 0.00 0.00 61.69 62.06 1axy s THR 66 Cb 0.00 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1axy s THR 66 CO 0.00 -0.15 -0.15 0.54 -0.54 0.00 0.00 174.62 174.32 1axy s VAL 67 N -1.94 1.16 0.47 2.29 0.11 -1.26 -1.55 120.40 119.68 1axy s VAL 67 Ca 0.59 -1.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.35 1axy s VAL 67 Cb -0.14 -1.07 -0.09 0.00 -1.53 0.00 0.00 36.38 33.55 1axy s VAL 67 CO 0.19 -0.03 0.99 0.00 -3.33 0.00 0.00 175.10 172.92 1axy s ALA 68 N -0.94 2.96 0.02 1.54 0.00 0.81 -4.56 121.76 121.58 1axy s ALA 68 Ca 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1axy s ALA 68 Cb -0.08 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1axy s ALA 68 CO 0.02 -0.14 0.15 -1.12 0.00 0.00 0.00 175.76 174.66 1axy s SER 69 N -2.23 6.07 0.19 0.00 0.01 -0.90 -4.42 113.70 112.42 1axy s SER 69 Ca 0.64 0.23 -0.09 0.00 1.31 0.00 0.00 55.95 58.04 1axy s SER 69 Cb -0.12 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 1axy s SER 69 CO 0.19 0.24 0.33 0.72 0.41 0.00 0.00 173.24 175.13 1axy s PHE 70 N -1.33 0.47 -0.18 2.43 -0.12 -0.92 -1.43 117.98 116.90 1axy s PHE 70 Ca 0.28 -0.81 -0.16 0.00 -0.05 0.00 0.00 56.93 56.19 1axy s PHE 70 Cb -0.12 -0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.28 1axy s PHE 70 CO 0.19 -0.80 0.47 -2.00 -0.05 0.00 0.00 175.22 173.04 1axy s GLU 71 N -4.00 0.54 0.03 1.99 2.12 -0.26 -0.87 118.70 118.25 1axy s GLU 71 Ca 0.21 0.68 0.02 0.00 0.36 0.00 0.00 54.97 56.24 1axy s GLU 71 Cb 0.02 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 1axy s GLU 71 CO 0.04 -0.07 -0.07 -0.08 -0.54 0.00 0.00 175.26 174.54 1axy s THR 72 N 0.36 0.49 0.00 -1.70 -1.32 -0.03 -1.46 115.64 111.99 1axy s THR 72 Ca -0.01 -0.90 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 1axy s THR 72 Cb -0.04 -0.54 -0.00 0.00 -1.51 0.00 0.00 72.50 70.41 1axy s THR 72 CO -0.01 -0.29 -0.03 -0.13 -2.21 0.00 0.00 174.62 171.96 1axy s ARG 73 N -1.28 0.23 0.13 7.08 0.52 -0.81 -1.00 118.95 123.82 1axy s ARG 73 Ca -0.08 -0.17 -0.21 0.00 -0.52 0.00 0.00 55.73 54.75 1axy s ARG 73 Cb -0.08 -0.18 0.06 0.00 0.52 0.00 0.00 34.95 35.27 1axy s ARG 73 CO 0.00 0.04 0.53 -0.59 0.02 0.00 0.00 175.30 175.31 1axy s PHE 74 N -0.25 -0.43 -0.04 -0.53 -0.71 -0.96 -1.11 117.98 113.95 1axy s PHE 74 Ca -0.01 0.24 0.06 0.00 -1.04 0.00 0.00 56.93 56.18 1axy s PHE 74 Cb -0.02 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1axy s PHE 74 CO -0.00 -0.77 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.76 1axy s SER 75 N -2.63 2.78 0.22 1.98 0.01 -1.08 -0.75 113.70 114.24 1axy s SER 75 Ca 0.00 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 56.75 1axy s SER 75 Cb -0.00 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 1axy s SER 75 CO -0.11 0.24 0.29 0.72 0.41 0.00 0.00 173.24 174.79 1axy s PHE 76 N -0.24 0.81 -0.06 2.43 -0.12 -0.82 -1.00 117.98 118.99 1axy s PHE 76 Ca 0.00 -1.09 -0.08 0.00 -0.05 0.00 0.00 56.93 55.70 1axy s PHE 76 Cb -0.12 -0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.06 1axy s PHE 76 CO 0.02 -0.80 0.22 -1.54 -0.05 0.00 0.00 175.22 173.06 1axy s SER 77 N -3.10 -0.17 -0.08 1.98 1.04 -0.06 -0.45 113.70 112.85 1axy s SER 77 Ca 0.32 0.27 0.03 0.00 0.48 0.00 0.00 55.95 57.05 1axy s SER 77 Cb 0.04 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1axy s SER 77 CO 0.11 -0.18 -0.17 -0.63 0.98 0.00 0.00 173.24 173.35 1axy s ILE 78 N -0.37 1.53 -0.13 -1.02 1.01 -1.26 -1.94 121.20 119.03 1axy s ILE 78 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1axy s ILE 78 Cb -0.03 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1axy s ILE 78 CO 0.01 0.44 -0.22 -1.61 0.00 0.00 0.00 174.94 173.56 1axy s GLU 79 N 0.57 3.05 -0.41 2.79 2.02 -1.25 -0.45 118.70 125.01 1axy s GLU 79 Ca -0.16 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 53.96 1axy s GLU 79 Cb -0.17 -2.40 0.11 0.00 0.10 0.00 0.00 34.13 31.78 1axy s GLU 79 CO 0.05 0.06 0.19 -0.65 0.02 0.00 0.00 175.26 174.93 1axy s GLN 80 N 0.63 1.93 0.45 1.61 -0.21 -1.26 -1.80 119.66 121.00 1axy s GLN 80 Ca -0.12 -1.89 0.26 0.00 0.02 0.00 0.00 55.36 53.64 1axy s GLN 80 Cb -0.16 -3.51 0.70 0.00 1.00 0.00 0.00 33.01 31.03 1axy s GLN 80 CO 0.02 -1.05 1.74 -1.00 -2.12 0.00 0.00 175.29 172.88 1axy h PRO 81 N 7.88 0.00 -6.58 2.91 0.13 -1.98 -3.47 132.00 130.89 1axy h PRO 81 Ca -0.10 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.35 1axy h PRO 81 Cb 1.03 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.97 1axy h PRO 81 CO 0.66 0.00 -0.78 0.71 -0.23 0.00 0.00 178.00 178.37 1axy s TYR 82 N -3.34 2.63 0.10 1.56 2.02 -1.26 -5.01 117.35 114.04 1axy s TYR 82 Ca 0.05 -0.21 0.08 0.00 -0.37 0.00 0.00 57.07 56.62 1axy s TYR 82 Cb 0.07 -1.44 -0.21 0.00 -0.40 0.00 0.00 41.96 39.98 1axy s TYR 82 CO 0.62 0.34 1.21 1.15 -1.57 0.00 0.00 175.55 177.30 1axy h THR 83 N 3.66 1.61 -2.71 -0.71 2.02 -1.98 -3.45 112.91 111.35 1axy h THR 83 Ca -0.49 -3.33 -0.11 0.00 0.77 0.00 0.00 66.41 63.25 1axy h THR 83 Cb 1.16 2.79 -0.23 0.00 -1.74 0.00 0.00 68.15 70.14 1axy h THR 83 CO 0.49 0.91 -0.19 0.00 0.37 0.00 0.00 175.52 177.10 1axy s ARG 84 N -2.70 0.59 1.17 6.66 1.70 -1.26 -4.52 118.95 120.59 1axy s ARG 84 Ca 0.00 0.40 -0.18 0.00 -0.47 0.00 0.00 55.73 55.48 1axy s ARG 84 Cb 0.10 0.28 0.27 0.00 -0.57 0.00 0.00 34.95 35.03 1axy s ARG 84 CO 0.82 -0.11 1.13 -1.25 -1.08 0.00 0.00 175.30 174.81 1axy s PRO 85 N -0.23 -0.96 0.38 3.89 0.04 -1.26 -4.98 135.00 131.89 1axy s PRO 85 Ca -0.04 -0.05 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 1axy s PRO 85 Cb -0.03 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.77 1axy s PRO 85 CO 0.02 -3.54 1.47 -0.51 0.04 0.00 0.00 177.00 174.49 1axy s LEU 86 N -6.82 4.30 0.71 -3.56 1.43 -1.26 -4.78 118.68 108.70 1axy s LEU 86 Ca 0.71 3.03 -0.14 0.00 -1.03 0.00 0.00 54.13 56.70 1axy s LEU 86 Cb -0.10 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.45 1axy s LEU 86 CO 0.56 -0.90 1.12 -2.16 0.23 0.00 0.00 176.35 175.20 1axy s PRO 87 N -2.13 2.49 0.17 1.29 0.04 -1.26 -4.50 135.00 131.11 1axy s PRO 87 Ca 0.53 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 1axy s PRO 87 Cb -0.46 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.23 1axy s PRO 87 CO 0.62 -1.49 0.67 0.00 0.04 0.00 0.00 177.00 176.85 1axy s ALA 88 N -2.47 -1.54 -0.01 8.56 0.00 -1.26 -4.39 121.76 120.66 1axy s ALA 88 Ca 0.66 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1axy s ALA 88 Cb -0.21 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1axy s ALA 88 CO 0.47 -0.84 0.02 -0.25 0.00 0.00 0.00 175.76 175.16 1axy n ASP 89 N -0.39 4.53 0.00 0.00 8.00 0.60 -3.37 116.55 125.92 1axy n ASP 89 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1axy n ASP 89 Cb 0.63 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 1axy n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1axy n GLY 90 N 2.66 0.83 3.18 0.44 0.00 -1.10 -2.08 105.19 109.13 1axy n GLY 90 Ca -0.02 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1axy n GLY 90 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1axy s LEU 91 N 0.00 2.01 -0.17 0.99 0.05 -0.83 -1.85 118.68 118.88 1axy s LEU 91 Ca 0.00 -1.17 -0.18 0.00 0.05 0.00 0.00 54.13 52.83 1axy s LEU 91 Cb 0.00 0.12 0.05 0.00 -2.05 0.00 0.00 46.19 44.31 1axy s LEU 91 CO 0.00 -0.64 0.51 0.54 -0.55 0.00 0.00 176.35 176.21 1axy s VAL 92 N -3.85 0.00 -0.13 1.48 0.11 0.71 -0.98 120.40 117.74 1axy s VAL 92 Ca 0.22 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 1axy s VAL 92 Cb 0.07 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1axy s VAL 92 CO 0.01 -0.02 0.37 0.12 -3.33 0.00 0.00 175.10 172.25 1axy s PHE 93 N 0.04 3.50 0.12 1.54 5.36 -0.67 -1.10 117.98 126.77 1axy s PHE 93 Ca -0.02 0.73 -0.05 0.00 -0.96 0.00 0.00 56.93 56.64 1axy s PHE 93 Cb -0.03 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.21 1axy s PHE 93 CO 0.02 0.25 0.13 -0.59 -1.46 0.00 0.00 175.22 173.57 1axy s PHE 94 N 0.39 0.55 -0.02 10.12 -0.71 -0.16 -0.81 117.98 127.34 1axy s PHE 94 Ca 0.21 -0.96 0.01 0.00 -1.04 0.00 0.00 56.93 55.14 1axy s PHE 94 Cb -0.14 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.42 1axy s PHE 94 CO 0.07 -0.56 -0.02 -1.64 -1.34 0.00 0.00 175.22 171.73 1axy s MET 95 N -3.97 0.35 0.00 1.99 -1.94 -0.12 -1.39 119.30 114.21 1axy s MET 95 Ca 0.16 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 1axy s MET 95 Cb 0.06 -0.44 0.00 0.00 2.01 0.00 0.00 34.83 36.46 1axy s MET 95 CO -0.03 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1axy n GLY 96 N 3.70 2.18 3.72 -0.03 0.00 -1.03 -1.27 105.19 112.45 1axy n GLY 96 Ca -0.22 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1axy n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1axy n PRO 97 N 0.00 1.95 -1.30 1.61 -0.02 -1.26 -1.51 135.00 134.48 1axy n PRO 97 Ca 0.00 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1axy n PRO 97 Cb 0.00 -2.45 0.09 0.00 -0.02 0.00 0.00 33.50 31.12 1axy n PRO 97 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1axy s THR 98 N -1.22 3.02 -1.45 3.45 -4.23 -1.26 -3.73 115.64 110.22 1axy s THR 98 Ca 0.62 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1axy s THR 98 Cb -0.48 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1axy s THR 98 CO 0.57 -0.39 0.00 0.29 -0.54 0.00 0.00 174.62 174.55 1axy n LYS 99 N -3.31 -1.32 -2.81 3.99 4.76 -1.26 -4.99 118.16 113.21 1axy n LYS 99 Ca 0.10 0.83 -0.32 0.00 -2.87 0.00 0.00 58.31 56.05 1axy n LYS 99 Cb 0.52 -5.24 -0.05 0.00 -1.84 0.00 0.00 35.03 28.42 1axy n LYS 99 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1axy s SER 100 N -2.28 6.73 0.24 4.39 1.04 -1.24 -5.09 113.70 117.48 1axy s SER 100 Ca 0.00 1.43 0.09 0.00 0.48 0.00 0.00 55.95 57.95 1axy s SER 100 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1axy s SER 100 CO 0.00 -0.38 -0.05 -0.54 0.98 0.00 0.00 173.24 173.25 1axy s LYS 101 N -3.49 2.17 0.41 4.02 -0.14 -1.26 -5.10 119.74 116.36 1axy s LYS 101 Ca 0.57 -1.39 -0.26 0.00 -1.36 0.00 0.00 55.97 53.53 1axy s LYS 101 Cb -0.10 -2.13 -0.10 0.00 -1.68 0.00 0.00 37.83 33.82 1axy s LYS 101 CO 0.23 0.39 1.33 -0.35 -0.76 0.00 0.00 175.35 176.18 1axy n PRO 102 N -0.54 2.08 0.00 -1.68 -0.04 -1.26 -5.03 135.00 128.53 1axy n PRO 102 Ca -0.08 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1axy n PRO 102 Cb 0.58 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1axy n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1axy n ALA 103 N -0.09 0.00 -1.77 0.55 0.00 -0.50 -5.02 120.51 113.68 1axy n ALA 103 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 1axy n ALA 103 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1axy n ALA 103 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1axy s GLN 104 N 3.34 4.08 0.00 0.00 -1.52 -0.81 -4.73 119.66 120.02 1axy s GLN 104 Ca 0.00 1.72 0.00 0.00 -1.95 0.00 0.00 55.36 55.13 1axy s GLN 104 Cb 0.00 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 1axy s GLN 104 CO 0.00 -0.26 0.00 0.41 -0.25 0.00 0.00 175.29 175.19 1axy n GLY 105 N 0.55 1.24 7.00 3.09 0.00 -1.26 -0.37 105.19 115.43 1axy n GLY 105 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1axy n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1axy n TYR 106 N 0.00 0.00 0.08 1.61 4.01 -1.26 -1.39 117.16 120.21 1axy n TYR 106 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1axy n TYR 106 Cb 0.00 0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 1axy n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1axy n GLY 107 N 0.00 -0.58 0.19 2.72 0.00 -1.26 -0.87 105.19 105.39 1axy n GLY 107 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1axy n GLY 107 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1axy n TYR 108 N -1.51 0.00 -1.56 1.61 4.01 -0.49 -4.94 117.16 114.28 1axy n TYR 108 Ca 0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.58 1axy n TYR 108 Cb 0.03 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 1axy n TYR 108 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1axy n LEU 109 N -0.75 -1.25 0.00 7.72 4.77 -0.05 -2.14 117.00 125.30 1axy n LEU 109 Ca 0.14 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1axy n LEU 109 Cb 0.31 -2.42 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1axy n LEU 109 CO 0.24 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 1axy n GLY 110 N -0.36 0.65 0.00 -0.72 0.00 0.50 -4.32 105.19 100.94 1axy n GLY 110 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1axy n GLY 110 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1axy n ILE 111 N -2.67 0.00 -4.35 -0.61 -5.35 -0.91 -1.41 119.36 104.07 1axy n ILE 111 Ca 0.00 -0.36 -0.18 0.00 -0.27 0.00 0.00 62.75 61.94 1axy n ILE 111 Cb 0.01 1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 38.83 1axy n ILE 111 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1axy s PHE 112 N -0.67 1.69 -0.28 4.28 0.08 -1.10 -4.86 117.98 117.12 1axy s PHE 112 Ca 0.00 -0.67 0.11 0.00 0.12 0.00 0.00 56.93 56.49 1axy s PHE 112 Cb 0.00 -0.87 -0.15 0.00 -0.57 0.00 0.00 43.02 41.44 1axy s PHE 112 CO 0.00 0.25 0.36 0.09 -0.10 0.00 0.00 175.22 175.82 1axy n ASN 113 N -0.41 1.41 -1.43 1.36 5.03 -1.26 -1.93 115.26 118.03 1axy n ASN 113 Ca -0.07 -0.40 -0.02 0.00 0.87 0.00 0.00 54.58 54.95 1axy n ASN 113 Cb 0.62 1.24 0.01 0.00 -1.02 0.00 0.00 39.78 40.62 1axy n ASN 113 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1axy n ASN 114 N -1.56 -0.53 -1.61 6.41 0.23 -1.26 -4.90 115.26 112.05 1axy n ASN 114 Ca 0.00 -1.39 -0.02 0.00 -0.53 0.00 0.00 54.58 52.65 1axy n ASN 114 Cb 0.23 0.89 0.28 0.00 -2.08 0.00 0.00 39.78 39.10 1axy n ASN 114 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1axy n SER 115 N -1.21 4.30 -4.91 0.53 3.41 -1.26 -4.65 113.62 109.83 1axy n SER 115 Ca -0.02 -3.25 -0.27 0.00 -0.26 0.00 0.00 58.87 55.07 1axy n SER 115 Cb 0.14 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 1axy n SER 115 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1axy s LYS 116 N -2.99 3.57 -0.62 4.33 -0.14 -1.26 -4.74 119.74 117.89 1axy s LYS 116 Ca 0.51 0.05 -0.20 0.00 -1.36 0.00 0.00 55.97 54.97 1axy s LYS 116 Cb 0.41 -2.51 0.10 0.00 -1.68 0.00 0.00 37.83 34.15 1axy s LYS 116 CO 0.10 -0.00 0.78 -0.65 -0.76 0.00 0.00 175.35 174.82 1axy s GLN 117 N -4.27 3.09 -0.18 1.68 -0.21 -1.26 -4.48 119.66 114.02 1axy s GLN 117 Ca 0.45 -1.26 0.01 0.00 0.02 0.00 0.00 55.36 54.57 1axy s GLN 117 Cb -0.10 -4.29 0.02 0.00 1.00 0.00 0.00 33.01 29.64 1axy s GLN 117 CO 0.38 -1.61 -0.19 0.34 -2.12 0.00 0.00 175.29 172.09 1axy s ASP 118 N 3.61 3.23 0.59 5.90 -1.08 -0.74 -5.00 116.67 123.19 1axy s ASP 118 Ca 0.15 -0.63 0.39 0.00 -0.52 0.00 0.00 52.55 51.94 1axy s ASP 118 Cb -0.22 -1.50 2.07 0.00 -1.46 0.00 0.00 42.92 41.81 1axy s ASP 118 CO 0.06 -0.00 2.20 -0.55 0.52 0.00 0.00 175.17 177.40 1axy h ASN 119 N 7.94 0.00 0.82 -0.34 7.08 -1.95 -2.05 115.58 127.08 1axy h ASN 119 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 1axy h ASN 119 Cb 1.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 1axy h ASN 119 CO 0.64 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.45 1axy n SER 120 N -2.93 0.26 -0.15 6.14 3.41 -1.26 -2.71 113.62 116.37 1axy n SER 120 Ca -0.02 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1axy n SER 120 Cb 0.10 -0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1axy n SER 120 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1axy h TYR 121 N 0.00 1.15 -6.39 7.33 0.05 -1.70 -3.47 116.97 113.93 1axy h TYR 121 Ca 0.00 -0.29 -0.48 0.00 0.05 0.00 0.00 58.73 58.01 1axy h TYR 121 Cb 0.41 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 1axy h TYR 121 CO 0.00 1.12 -0.83 1.04 -1.05 0.00 0.00 178.16 178.44 1axy n GLN 122 N -4.10 -4.27 -4.83 4.88 6.02 -1.10 -4.60 117.38 109.39 1axy n GLN 122 Ca -0.00 0.50 -0.26 0.00 -0.01 0.00 0.00 57.00 57.23 1axy n GLN 122 Cb 0.47 -5.04 -0.16 0.00 1.02 0.00 0.00 30.24 26.53 1axy n GLN 122 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1axy s THR 123 N -3.60 1.40 -0.08 5.09 2.01 -1.26 -3.99 115.64 115.21 1axy s THR 123 Ca 0.31 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1axy s THR 123 Cb -0.16 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1axy s THR 123 CO 0.86 0.40 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.75 1axy s LEU 124 N -0.07 2.21 0.02 4.42 0.20 -0.40 -0.92 118.68 124.14 1axy s LEU 124 Ca -0.01 -0.49 -0.12 0.00 0.69 0.00 0.00 54.13 54.20 1axy s LEU 124 Cb -0.10 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 1axy s LEU 124 CO 0.01 0.21 0.26 -0.83 -0.29 0.00 0.00 176.35 175.71 1axy s GLY 125 N 0.07 -0.07 -0.28 7.98 0.00 -0.13 -0.95 107.32 113.95 1axy s GLY 125 Ca -0.10 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.68 1axy s GLY 125 CO 0.06 -0.16 -0.05 0.14 0.00 0.00 0.00 173.10 173.09 1axy s VAL 126 N -1.96 2.05 0.29 1.40 1.01 0.01 -0.22 120.40 122.98 1axy s VAL 126 Ca -0.09 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.08 1axy s VAL 126 Cb -0.03 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1axy s VAL 126 CO -0.00 -0.23 0.52 -1.83 0.00 0.00 0.00 175.10 173.56 1axy s GLU 127 N 1.11 3.58 -0.53 2.72 -1.05 0.27 -1.67 118.70 123.12 1axy s GLU 127 Ca -0.02 -0.13 0.04 0.00 -0.15 0.00 0.00 54.97 54.71 1axy s GLU 127 Cb -0.19 -2.68 0.16 0.00 -0.44 0.00 0.00 34.13 30.97 1axy s GLU 127 CO -0.07 0.23 0.37 -0.06 0.95 0.00 0.00 175.26 176.69 1axy s PHE 128 N -2.10 2.27 -0.19 4.83 0.08 -0.15 -1.12 117.98 121.60 1axy s PHE 128 Ca 0.42 -2.74 -0.24 0.00 0.12 0.00 0.00 56.93 54.49 1axy s PHE 128 Cb -0.11 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1axy s PHE 128 CO 0.31 -0.71 0.77 0.34 -0.10 0.00 0.00 175.22 175.84 1axy s ASP 129 N -0.45 6.86 0.00 1.36 -1.08 -0.37 -1.97 116.67 121.02 1axy s ASP 129 Ca 0.26 1.06 0.17 0.00 -0.52 0.00 0.00 52.55 53.52 1axy s ASP 129 Cb -0.06 -2.42 -0.06 0.00 -1.46 0.00 0.00 42.92 38.92 1axy s ASP 129 CO -0.14 -0.38 0.82 0.35 0.52 0.00 0.00 175.17 176.34 1axy n THR 130 N 4.78 0.00 -4.63 1.71 -2.24 -0.88 -1.40 114.28 111.62 1axy n THR 130 Ca 0.03 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 1axy n THR 130 Cb 0.49 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 1axy n THR 130 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1axy s PHE 131 N -2.13 1.44 -0.58 4.78 5.36 -1.24 -4.72 117.98 120.88 1axy s PHE 131 Ca 0.11 -0.46 -0.24 0.00 -0.96 0.00 0.00 56.93 55.38 1axy s PHE 131 Cb 0.13 -1.02 0.05 0.00 -0.34 0.00 0.00 43.02 41.84 1axy s PHE 131 CO 0.50 -0.21 0.96 0.45 -1.46 0.00 0.00 175.22 175.46 1axy s SER 132 N 0.37 6.31 0.66 6.13 0.15 -1.26 -5.00 113.70 121.06 1axy s SER 132 Ca -0.09 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 1axy s SER 132 Cb -0.13 -2.44 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1axy s SER 132 CO 0.03 -1.29 0.95 0.20 1.20 0.00 0.00 173.24 174.33 1axy s ASN 133 N 3.01 4.90 0.48 5.45 -0.87 -1.26 -4.94 114.94 121.71 1axy s ASN 133 Ca 0.29 0.28 0.32 0.00 -1.57 0.00 0.00 52.86 52.19 1axy s ASN 133 Cb -0.13 -0.98 1.66 0.00 -0.02 0.00 0.00 41.25 41.78 1axy s ASN 133 CO 0.18 -1.50 1.99 1.55 -2.57 0.00 0.00 177.10 176.75 1axy h PRO 134 N -0.42 0.00 -0.02 -0.60 0.13 -1.98 -0.85 132.00 128.26 1axy h PRO 134 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1axy h PRO 134 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1axy h PRO 134 CO 0.57 0.00 -0.10 -2.67 -0.23 0.00 0.00 178.00 175.56 1axy n TRP 135 N -2.69 0.00 -3.80 1.56 2.14 -1.26 -4.95 117.44 108.44 1axy n TRP 135 Ca -0.01 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.32 1axy n TRP 135 Cb 0.11 -0.02 -0.02 0.00 -0.81 0.00 0.00 31.31 30.57 1axy n TRP 135 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1axy s ASP 136 N -2.15 6.34 0.77 -0.67 1.01 -0.33 -4.79 116.67 116.85 1axy s ASP 136 Ca 0.31 0.23 -0.11 0.00 0.71 0.00 0.00 52.55 53.69 1axy s ASP 136 Cb 0.20 -1.94 0.05 0.00 1.01 0.00 0.00 42.92 42.25 1axy s ASP 136 CO 0.39 -0.08 1.08 -2.16 0.21 0.00 0.00 175.17 174.61 1axy s PRO 137 N -3.73 2.31 0.50 8.23 0.04 -1.26 -4.79 135.00 136.30 1axy s PRO 137 Ca 0.36 1.00 0.26 0.00 0.04 0.00 0.00 61.00 62.67 1axy s PRO 137 Cb -0.10 -1.92 1.30 0.00 0.04 0.00 0.00 34.50 33.82 1axy s PRO 137 CO 0.30 -1.56 2.00 -1.00 0.04 0.00 0.00 177.00 176.78 1axy h PRO 138 N -1.06 0.00 -6.43 0.56 0.13 -1.99 -3.44 132.00 119.77 1axy h PRO 138 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 1axy h PRO 138 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1axy h PRO 138 CO 0.54 0.15 0.40 -0.65 -0.23 0.00 0.00 178.00 178.21 1axy s GLN 139 N -4.04 4.55 0.01 0.86 1.11 -1.26 -4.89 119.66 116.01 1axy s GLN 139 Ca -0.02 1.48 0.00 0.00 0.01 0.00 0.00 55.36 56.83 1axy s GLN 139 Cb 0.12 -3.44 -0.01 0.00 -1.01 0.00 0.00 33.01 28.68 1axy s GLN 139 CO 0.60 -0.06 -0.02 0.14 0.01 0.00 0.00 175.29 175.96 1axy s VAL 140 N 0.93 0.09 0.70 1.09 -7.23 -1.26 -4.39 120.40 110.33 1axy s VAL 140 Ca 0.53 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 1axy s VAL 140 Cb -0.22 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.56 1axy s VAL 140 CO 0.28 -0.24 1.07 -2.16 -0.31 0.00 0.00 175.10 173.75 1axy s PRO 141 N -0.74 2.91 -0.01 4.82 0.04 -1.24 -4.94 135.00 135.85 1axy s PRO 141 Ca -0.08 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 1axy s PRO 141 Cb -0.05 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1axy s PRO 141 CO -0.00 -1.06 0.24 -3.38 0.04 0.00 0.00 177.00 172.84 1axy s HIS 142 N -3.19 -0.09 0.10 0.56 -3.43 -0.49 -1.50 115.29 107.24 1axy s HIS 142 Ca 0.58 0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 54.78 1axy s HIS 142 Cb -0.12 0.04 -0.07 0.00 -1.43 0.00 0.00 32.58 31.00 1axy s HIS 142 CO 0.54 -0.34 0.55 0.42 -2.00 0.00 0.00 174.74 173.91 1axy s ILE 143 N -1.30 4.80 -0.01 -5.38 1.01 0.52 -1.23 121.20 119.60 1axy s ILE 143 Ca -0.14 1.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 1axy s ILE 143 Cb -0.06 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1axy s ILE 143 CO 0.03 0.43 0.13 -0.83 0.00 0.00 0.00 174.94 174.70 1axy s GLY 144 N -1.36 0.01 -0.31 6.18 0.00 -0.28 -0.78 107.32 110.78 1axy s GLY 144 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.94 1axy s GLY 144 CO 0.19 -0.11 0.17 -0.42 0.00 0.00 0.00 173.10 172.93 1axy s ILE 145 N -0.94 4.77 -0.22 0.90 1.01 -0.69 -0.57 121.20 125.46 1axy s ILE 145 Ca -0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1axy s ILE 145 Cb -0.06 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1axy s ILE 145 CO 0.01 0.07 0.08 -1.81 0.00 0.00 0.00 174.94 173.30 1axy s ASP 146 N 1.64 5.54 -0.33 3.58 1.01 0.69 -1.31 116.67 127.49 1axy s ASP 146 Ca 0.05 -0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.31 1axy s ASP 146 Cb -0.17 -1.98 0.10 0.00 1.01 0.00 0.00 42.92 41.89 1axy s ASP 146 CO 0.07 0.08 0.08 -0.69 0.21 0.00 0.00 175.17 174.92 1axy s VAL 147 N 0.96 1.66 -1.97 -1.27 1.01 -1.26 -0.95 120.40 118.59 1axy s VAL 147 Ca 0.05 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1axy s VAL 147 Cb -0.14 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1axy s VAL 147 CO 0.03 -0.64 0.00 0.59 0.00 0.00 0.00 175.10 175.08 1axy n ASN 148 N 4.47 -5.50 -3.58 3.32 3.02 -0.10 -4.92 115.26 111.97 1axy n ASN 148 Ca 0.02 0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.80 1axy n ASN 148 Cb 0.42 -4.67 -0.04 0.00 -0.61 0.00 0.00 39.78 34.87 1axy n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1axy s SER 149 N -2.55 -0.28 0.15 6.41 0.15 -1.26 -1.79 113.70 114.52 1axy s SER 149 Ca 0.00 0.25 0.26 0.00 0.70 0.00 0.00 55.95 57.16 1axy s SER 149 Cb 0.00 0.24 0.94 0.00 -1.71 0.00 0.00 66.02 65.49 1axy s SER 149 CO 0.00 -0.30 1.78 0.00 1.20 0.00 0.00 173.24 175.92 1axy n ILE 150 N 0.51 0.51 -2.73 6.45 0.13 -1.26 -4.48 119.36 118.50 1axy n ILE 150 Ca -0.07 -0.09 -0.42 0.00 -1.10 0.00 0.00 62.75 61.07 1axy n ILE 150 Cb 0.58 -0.69 -0.03 0.00 -0.84 0.00 0.00 39.64 38.67 1axy n ILE 150 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1axy s ARG 151 N -3.10 3.32 0.48 9.51 0.52 -1.26 -4.97 118.95 123.44 1axy s ARG 151 Ca 0.10 -0.91 -0.22 0.00 -0.52 0.00 0.00 55.73 54.18 1axy s ARG 151 Cb 0.13 -4.57 -0.09 0.00 0.52 0.00 0.00 34.95 30.94 1axy s ARG 151 CO 0.52 -1.98 0.95 0.43 0.02 0.00 0.00 175.30 175.25 1axy n SER 152 N 8.17 0.93 0.08 0.23 7.64 -1.26 -4.77 113.62 124.64 1axy n SER 152 Ca 0.11 0.95 0.12 0.00 1.01 0.00 0.00 58.87 61.06 1axy n SER 152 Cb 0.48 -1.34 0.26 0.00 -1.01 0.00 0.00 64.21 62.60 1axy n SER 152 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1axy n ILE 153 N -0.88 0.44 -3.67 0.44 -5.35 -0.43 -4.84 119.36 105.07 1axy n ILE 153 Ca 0.10 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 1axy n ILE 153 Cb 0.42 -0.29 -0.08 0.00 -1.74 0.00 0.00 39.64 37.94 1axy n ILE 153 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1axy s LYS 154 N -3.14 0.64 0.07 6.28 2.47 -1.25 -5.03 119.74 119.79 1axy s LYS 154 Ca 0.08 0.88 0.05 0.00 -1.56 0.00 0.00 55.97 55.41 1axy s LYS 154 Cb 0.13 0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.72 1axy s LYS 154 CO 0.67 -0.10 -0.13 0.99 0.16 0.00 0.00 175.35 176.94 1axy s THR 155 N 0.70 1.01 -0.18 3.43 2.01 -1.26 -1.70 115.64 119.64 1axy s THR 155 Ca -0.03 -1.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 1axy s THR 155 Cb -0.05 -1.06 0.08 0.00 0.01 0.00 0.00 72.50 71.48 1axy s THR 155 CO -0.05 -0.31 0.20 -1.58 -0.69 0.00 0.00 174.62 172.19 1axy s GLN 156 N -1.90 0.15 0.54 4.92 2.00 0.04 -4.97 119.66 120.43 1axy s GLN 156 Ca -0.02 0.25 -0.20 0.00 -2.00 0.00 0.00 55.36 53.39 1axy s GLN 156 Cb -0.09 -1.10 -0.05 0.00 0.80 0.00 0.00 33.01 32.57 1axy s GLN 156 CO 0.02 -0.59 1.17 -2.14 -0.50 0.00 0.00 175.29 173.25 1axy s PRO 157 N 2.30 3.32 0.05 1.67 0.02 -1.26 -0.36 135.00 140.74 1axy s PRO 157 Ca 0.05 1.74 -0.10 0.00 0.02 0.00 0.00 61.00 62.71 1axy s PRO 157 Cb -0.15 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.30 1axy s PRO 157 CO -0.11 -0.91 0.21 -0.59 -0.33 0.00 0.00 177.00 175.28 1axy s PHE 158 N -1.65 0.04 -0.16 6.54 -0.71 -0.57 -4.86 117.98 116.61 1axy s PHE 158 Ca 0.72 -0.27 -0.16 0.00 -1.04 0.00 0.00 56.93 56.18 1axy s PHE 158 Cb -0.28 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 1axy s PHE 158 CO 0.31 -0.46 0.40 -1.14 -1.34 0.00 0.00 175.22 172.99 1axy s GLN 159 N -2.72 4.25 0.18 1.99 0.74 -1.26 -3.60 119.66 119.24 1axy s GLN 159 Ca -0.04 0.25 -0.30 0.00 0.05 0.00 0.00 55.36 55.33 1axy s GLN 159 Cb -0.00 -3.48 -0.08 0.00 1.10 0.00 0.00 33.01 30.55 1axy s GLN 159 CO -0.05 0.09 1.14 -1.17 -0.55 0.00 0.00 175.29 174.76 1axy s LEU 160 N 0.88 4.47 -0.73 3.68 2.96 -1.26 -4.97 118.68 123.71 1axy s LEU 160 Ca 0.21 2.16 -0.10 0.00 -0.22 0.00 0.00 54.13 56.17 1axy s LEU 160 Cb -0.14 -3.61 0.19 0.00 0.50 0.00 0.00 46.19 43.13 1axy s LEU 160 CO 0.07 -0.28 0.63 -0.62 -1.32 0.00 0.00 176.35 174.83 1axy s ASP 161 N -0.04 6.17 -0.42 3.68 -1.08 -1.26 -5.02 116.67 118.70 1axy s ASP 161 Ca 0.51 -2.68 -0.43 0.00 -0.52 0.00 0.00 52.55 49.43 1axy s ASP 161 Cb -0.31 -2.08 -0.17 0.00 -1.46 0.00 0.00 42.92 38.90 1axy s ASP 161 CO 0.36 -0.52 1.87 -3.20 0.52 0.00 0.00 175.17 174.20 1axy n ASN 162 N 3.89 1.51 0.00 -0.34 2.85 -1.26 -1.14 115.26 120.77 1axy n ASN 162 Ca 0.10 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.48 1axy n ASN 162 Cb 0.43 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.45 1axy n ASN 162 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1axy n GLY 163 N 5.39 0.61 3.88 8.20 0.00 0.40 -4.98 105.19 118.69 1axy n GLY 163 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 1axy n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1axy s GLN 164 N -0.40 3.77 -0.03 1.61 -1.52 -0.29 -4.84 119.66 117.95 1axy s GLN 164 Ca 0.00 0.32 -0.30 0.00 -1.95 0.00 0.00 55.36 53.43 1axy s GLN 164 Cb 0.00 -2.52 -0.03 0.00 -0.22 0.00 0.00 33.01 30.24 1axy s GLN 164 CO 0.00 0.13 1.04 0.08 -0.25 0.00 0.00 175.29 176.29 1axy s VAL 165 N -2.13 4.69 -0.10 1.09 1.01 -1.26 -4.43 120.40 119.26 1axy s VAL 165 Ca 0.49 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 64.38 1axy s VAL 165 Cb -0.11 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1axy s VAL 165 CO 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 175.10 175.45 1axy s ALA 166 N 1.46 3.21 -0.18 5.51 0.00 0.41 -4.17 121.76 128.00 1axy s ALA 166 Ca 0.52 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1axy s ALA 166 Cb -0.21 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1axy s ALA 166 CO 0.24 0.48 0.07 -0.80 0.00 0.00 0.00 175.76 175.76 1axy s ASN 167 N -0.54 5.75 -0.02 0.00 0.01 0.25 -1.94 114.94 118.45 1axy s ASN 167 Ca 0.09 0.12 0.08 0.00 -0.71 0.00 0.00 52.86 52.44 1axy s ASN 167 Cb -0.12 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 1axy s ASN 167 CO 0.02 0.19 -0.26 -0.69 -1.51 0.00 0.00 177.10 174.85 1axy s VAL 168 N 0.29 2.05 -0.09 1.60 1.01 0.07 -1.10 120.40 124.23 1axy s VAL 168 Ca 0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1axy s VAL 168 Cb -0.12 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1axy s VAL 168 CO -0.00 0.58 -0.06 -0.69 0.00 0.00 0.00 175.10 174.93 1axy s VAL 169 N -0.60 0.84 -0.14 2.92 1.01 -0.48 -2.25 120.40 121.71 1axy s VAL 169 Ca 0.10 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1axy s VAL 169 Cb -0.10 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1axy s VAL 169 CO -0.01 0.33 -0.18 -0.63 0.00 0.00 0.00 175.10 174.61 1axy s ILE 170 N 1.59 1.78 -0.01 2.22 1.01 -0.17 -0.44 121.20 127.18 1axy s ILE 170 Ca 0.02 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1axy s ILE 170 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1axy s ILE 170 CO -0.06 0.50 -0.15 -0.75 0.00 0.00 0.00 174.94 174.48 1axy s LYS 171 N 1.10 1.19 -0.15 2.79 2.20 0.40 -0.85 119.74 126.42 1axy s LYS 171 Ca -0.02 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1axy s LYS 171 Cb -0.14 -1.15 0.03 0.00 -1.51 0.00 0.00 37.83 35.06 1axy s LYS 171 CO -0.06 0.31 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.65 1axy s TYR 172 N -0.32 2.08 -0.45 4.03 5.04 -0.05 -0.66 117.35 127.02 1axy s TYR 172 Ca 0.05 -1.21 -0.15 0.00 -2.44 0.00 0.00 57.07 53.31 1axy s TYR 172 Cb -0.06 -1.53 0.05 0.00 0.35 0.00 0.00 41.96 40.77 1axy s TYR 172 CO -0.00 -0.66 0.36 -0.51 -1.34 0.00 0.00 175.55 173.40 1axy s ASP 173 N 1.51 6.14 0.39 4.32 1.01 -0.68 -2.18 116.67 127.19 1axy s ASP 173 Ca 0.03 -1.12 0.09 0.00 0.71 0.00 0.00 52.55 52.26 1axy s ASP 173 Cb -0.14 -2.18 0.85 0.00 1.01 0.00 0.00 42.92 42.47 1axy s ASP 173 CO -0.10 -0.57 1.96 0.00 0.21 0.00 0.00 175.17 176.67 1axy h ALA 174 N 8.71 1.83 -0.13 5.23 0.00 -1.88 0.17 119.26 133.19 1axy h ALA 174 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1axy h ALA 174 Cb 1.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1axy h ALA 174 CO 0.82 0.04 0.05 0.66 0.00 0.00 0.00 179.25 180.82 1axy h SER 175 N 0.62 0.19 0.42 0.00 4.64 -1.93 -3.10 113.55 114.39 1axy h SER 175 Ca 0.31 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1axy h SER 175 Cb 0.40 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1axy h SER 175 CO -0.10 0.31 -0.62 -1.54 -0.87 0.00 0.00 176.83 174.01 1axy n SER 176 N -4.88 0.60 -1.58 4.97 3.41 -1.15 -4.96 113.62 110.03 1axy n SER 176 Ca -0.05 -0.37 -0.15 0.00 -0.26 0.00 0.00 58.87 58.04 1axy n SER 176 Cb 0.12 0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1axy n SER 176 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1axy n LYS 177 N -1.55 -1.18 -3.52 4.33 5.02 0.59 -4.93 118.16 116.91 1axy n LYS 177 Ca 0.05 0.85 -0.37 0.00 -2.02 0.00 0.00 58.31 56.82 1axy n LYS 177 Cb 0.34 -5.14 -0.07 0.00 -0.02 0.00 0.00 35.03 30.14 1axy n LYS 177 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1axy s ILE 178 N -2.71 5.29 -0.34 -0.18 1.01 -1.13 -0.88 121.20 122.27 1axy s ILE 178 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 60.65 61.12 1axy s ILE 178 Cb 0.00 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1axy s ILE 178 CO 0.00 0.36 0.14 -0.22 0.00 0.00 0.00 174.94 175.23 1axy s LEU 179 N 0.63 4.36 -0.09 2.97 2.96 -0.48 -1.68 118.68 127.36 1axy s LEU 179 Ca 0.16 -0.94 0.04 0.00 -0.22 0.00 0.00 54.13 53.17 1axy s LEU 179 Cb -0.13 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1axy s LEU 179 CO 0.04 -0.31 -0.21 -1.38 -1.32 0.00 0.00 176.35 173.17 1axy s HIS 180 N 1.50 2.59 0.06 5.38 -3.43 0.16 -1.88 115.29 119.66 1axy s HIS 180 Ca 0.01 -0.79 0.08 0.00 -0.80 0.00 0.00 55.06 53.55 1axy s HIS 180 Cb -0.19 -1.70 -0.03 0.00 -1.43 0.00 0.00 32.58 29.24 1axy s HIS 180 CO 0.05 -0.27 -0.21 0.00 -2.00 0.00 0.00 174.74 172.31 1axy s ALA 181 N 0.11 1.81 -0.01 -1.38 0.00 0.29 -0.45 121.76 122.12 1axy s ALA 181 Ca -0.10 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1axy s ALA 181 Cb -0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1axy s ALA 181 CO 0.06 0.40 -0.09 0.08 0.00 0.00 0.00 175.76 176.21 1axy s VAL 182 N -0.88 0.69 -0.08 0.00 1.01 0.42 -1.32 120.40 120.23 1axy s VAL 182 Ca 0.08 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1axy s VAL 182 Cb -0.09 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1axy s VAL 182 CO 0.02 0.20 -0.13 -0.22 0.00 0.00 0.00 175.10 174.97 1axy s LEU 183 N -0.13 1.64 -0.04 3.92 0.20 -0.20 -1.38 118.68 122.69 1axy s LEU 183 Ca 0.02 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.53 1axy s LEU 183 Cb -0.04 -0.94 0.00 0.00 -0.43 0.00 0.00 46.19 44.78 1axy s LEU 183 CO -0.00 0.02 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.24 1axy s VAL 184 N 0.86 1.22 -0.43 1.68 1.01 -0.26 -0.57 120.40 123.91 1axy s VAL 184 Ca -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1axy s VAL 184 Cb -0.15 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.25 1axy s VAL 184 CO 0.01 0.36 0.27 -0.31 0.00 0.00 0.00 175.10 175.43 1axy s TYR 185 N 0.21 3.40 0.41 5.22 2.02 -0.40 -0.58 117.35 127.62 1axy s TYR 185 Ca -0.06 -1.77 0.11 0.00 -0.37 0.00 0.00 57.07 54.97 1axy s TYR 185 Cb -0.12 -3.14 0.92 0.00 -0.40 0.00 0.00 41.96 39.22 1axy s TYR 185 CO 0.02 -0.91 1.97 -1.35 -1.57 0.00 0.00 175.55 173.71 1axy h PRO 186 N 8.36 0.53 0.14 -1.71 0.11 -1.87 0.66 132.00 138.22 1axy h PRO 186 Ca -0.21 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.89 1axy h PRO 186 Cb 1.07 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 1axy h PRO 186 CO 0.77 0.35 -0.37 0.66 -0.21 0.00 0.00 178.00 179.20 1axy h SER 187 N 0.54 -1.07 0.18 -2.05 4.64 -1.93 -3.19 113.55 110.67 1axy h SER 187 Ca 0.29 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1axy h SER 187 Cb 0.43 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1axy h SER 187 CO -0.09 -0.46 -1.19 -1.54 -0.87 0.00 0.00 176.83 172.68 1axy n SER 188 N -5.45 0.63 0.00 4.97 3.41 -1.12 -4.97 113.62 111.09 1axy n SER 188 Ca -0.07 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1axy n SER 188 Cb 0.36 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1axy n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1axy n GLY 189 N 1.40 0.72 3.75 5.00 0.00 0.23 -5.02 105.19 111.27 1axy n GLY 189 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1axy n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1axy s ALA 190 N -2.62 3.59 -0.09 4.61 0.00 -1.13 -4.81 121.76 121.31 1axy s ALA 190 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1axy s ALA 190 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1axy s ALA 190 CO 0.00 -0.73 -0.12 0.42 0.00 0.00 0.00 175.76 175.34 1axy s ILE 191 N -0.34 1.17 -0.00 0.00 1.01 -1.26 -1.28 121.20 120.51 1axy s ILE 191 Ca 0.56 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1axy s ILE 191 Cb -0.41 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1axy s ILE 191 CO 0.47 0.37 -0.21 -0.31 0.00 0.00 0.00 174.94 175.26 1axy s TYR 192 N 1.01 1.84 0.03 3.97 2.02 0.26 -4.99 117.35 121.48 1axy s TYR 192 Ca -0.08 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1axy s TYR 192 Cb -0.15 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1axy s TYR 192 CO -0.01 -0.00 -0.09 -0.08 -1.57 0.00 0.00 175.55 173.80 1axy s THR 193 N -0.55 0.64 -0.12 -0.71 -1.32 -1.26 -1.04 115.64 111.28 1axy s THR 193 Ca 0.08 -0.78 -0.11 0.00 -1.21 0.00 0.00 61.69 59.67 1axy s THR 193 Cb -0.08 -0.62 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1axy s THR 193 CO -0.00 -0.12 0.33 -0.51 -2.21 0.00 0.00 174.62 172.10 1axy s ILE 194 N -0.83 -0.01 -0.01 5.08 2.07 -0.43 -4.99 121.20 122.07 1axy s ILE 194 Ca -0.03 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.13 1axy s ILE 194 Cb -0.07 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.07 1axy s ILE 194 CO 0.00 0.01 0.20 0.00 -1.91 0.00 0.00 174.94 173.24 1axy s ALA 195 N 0.37 -0.49 0.07 1.50 0.00 -1.26 -0.55 121.76 121.41 1axy s ALA 195 Ca -0.02 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 1axy s ALA 195 Cb -0.03 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1axy s ALA 195 CO -0.01 -0.21 0.61 -2.00 0.00 0.00 0.00 175.76 174.14 1axy s GLU 196 N -1.21 1.16 -0.08 0.00 2.56 -0.79 -5.01 118.70 115.33 1axy s GLU 196 Ca -0.13 -0.20 -0.25 0.00 0.00 0.00 0.00 54.97 54.40 1axy s GLU 196 Cb -0.06 0.54 -0.03 0.00 2.00 0.00 0.00 34.13 36.58 1axy s GLU 196 CO 0.02 -0.45 0.76 0.42 -0.56 0.00 0.00 175.26 175.45 1axy s ILE 197 N -2.70 4.99 -0.05 -3.70 1.01 -1.26 -1.38 121.20 118.10 1axy s ILE 197 Ca -0.04 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.14 1axy s ILE 197 Cb -0.01 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1axy s ILE 197 CO -0.04 0.19 0.07 -0.69 0.00 0.00 0.00 174.94 174.47 1axy s VAL 198 N 1.16 -0.13 -0.56 2.92 1.01 -0.06 -4.96 120.40 119.79 1axy s VAL 198 Ca 0.39 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 1axy s VAL 198 Cb -0.18 -0.19 0.10 0.00 0.00 0.00 0.00 36.38 36.11 1axy s VAL 198 CO 0.18 0.15 0.62 -0.62 0.00 0.00 0.00 175.10 175.43 1axy s ASP 199 N 2.18 6.19 0.62 3.32 -1.08 -1.26 -4.66 116.67 121.98 1axy s ASP 199 Ca 0.05 -1.40 0.34 0.00 -0.52 0.00 0.00 52.55 51.01 1axy s ASP 199 Cb -0.12 -2.27 1.94 0.00 -1.46 0.00 0.00 42.92 41.01 1axy s ASP 199 CO -0.04 -0.99 2.22 -0.37 0.52 0.00 0.00 175.17 176.51 1axy h VAL 200 N 5.89 0.30 0.00 1.11 -1.51 -1.97 -1.66 116.25 118.41 1axy h VAL 200 Ca -0.29 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 1axy h VAL 200 Cb 1.09 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1axy h VAL 200 CO 1.05 0.00 -0.12 0.11 -1.23 0.00 0.00 177.57 177.38 1axy h LYS 201 N 0.00 0.00 -0.00 5.19 1.57 -1.91 0.13 116.57 121.54 1axy h LYS 201 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1axy h LYS 201 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1axy h LYS 201 CO -0.00 0.12 -0.43 1.04 -0.57 0.00 0.00 179.45 179.60 1axy n GLN 202 N -3.78 0.10 -0.02 3.15 6.02 -0.63 -4.60 117.38 117.63 1axy n GLN 202 Ca -0.02 -0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 56.85 1axy n GLN 202 Cb 0.22 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 1axy n GLN 202 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1axy n VAL 203 N -1.40 1.05 -3.60 5.09 0.31 -0.57 -5.09 118.33 114.13 1axy n VAL 203 Ca 0.06 0.15 -0.24 0.00 -0.01 0.00 0.00 64.34 64.30 1axy n VAL 203 Cb 0.34 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1axy n VAL 203 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1axy s LEU 204 N -7.04 4.14 0.82 7.52 1.43 -0.07 -4.27 118.68 121.21 1axy s LEU 204 Ca -0.12 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1axy s LEU 204 Cb 0.03 -3.18 0.09 0.00 0.03 0.00 0.00 46.19 43.15 1axy s LEU 204 CO 0.16 -0.17 1.18 -2.16 0.23 0.00 0.00 176.35 175.60 1axy s PRO 205 N -3.91 1.85 0.37 1.29 0.04 -1.26 -4.75 135.00 128.63 1axy s PRO 205 Ca 0.38 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.57 1axy s PRO 205 Cb -0.10 -1.94 0.70 0.00 0.04 0.00 0.00 34.50 33.20 1axy s PRO 205 CO 0.32 -1.67 2.00 0.93 0.04 0.00 0.00 177.00 178.62 1axy h GLU 206 N -1.11 0.68 -5.64 4.56 5.08 -1.95 -3.41 114.58 112.78 1axy h GLU 206 Ca -0.46 -0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 57.16 1axy h GLU 206 Cb 1.33 -0.15 -0.29 0.00 0.50 0.00 0.00 28.75 30.15 1axy h GLU 206 CO 0.65 0.49 -0.82 -1.58 -1.00 0.00 0.00 179.01 176.75 1axy s TRP 207 N -5.51 2.66 0.12 4.33 0.52 -1.26 -0.51 118.94 119.28 1axy s TRP 207 Ca -0.09 -0.67 0.03 0.00 0.02 0.00 0.00 56.10 55.39 1axy s TRP 207 Cb 0.17 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1axy s TRP 207 CO 0.75 -0.19 -0.07 0.14 0.02 0.00 0.00 176.95 177.60 1axy s VAL 208 N 0.06 0.86 -0.13 4.03 -7.23 -0.30 -4.27 120.40 113.43 1axy s VAL 208 Ca -0.07 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 1axy s VAL 208 Cb -0.15 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1axy s VAL 208 CO 0.05 -0.80 0.12 -1.81 -0.31 0.00 0.00 175.10 172.34 1axy s ASP 209 N -3.10 6.17 -0.03 4.85 1.01 -0.57 -0.13 116.67 124.87 1axy s ASP 209 Ca 0.14 0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.80 1axy s ASP 209 Cb 0.04 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 1axy s ASP 209 CO -0.02 0.37 -0.04 0.68 0.21 0.00 0.00 175.17 176.37 1axy s VAL 210 N -0.80 3.89 0.20 -1.27 -7.23 -1.26 -2.47 120.40 111.45 1axy s VAL 210 Ca 0.13 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.56 1axy s VAL 210 Cb -0.12 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.22 1axy s VAL 210 CO 0.03 0.48 0.85 0.61 -0.31 0.00 0.00 175.10 176.76 1axy n GLY 211 N 1.80 0.78 3.17 2.32 0.00 -0.49 -1.50 105.19 111.27 1axy n GLY 211 Ca -0.16 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 1axy n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1axy s LEU 212 N 0.00 2.06 0.01 0.99 1.43 -0.39 -0.99 118.68 121.80 1axy s LEU 212 Ca 0.19 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1axy s LEU 212 Cb -0.03 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1axy s LEU 212 CO 0.06 0.18 -0.02 -0.55 0.23 0.00 0.00 176.35 176.25 1axy s SER 213 N -0.58 0.22 0.04 2.29 0.15 -0.26 -0.91 113.70 114.66 1axy s SER 213 Ca 0.06 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 1axy s SER 213 Cb -0.07 0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1axy s SER 213 CO -0.00 -0.18 0.02 -0.83 1.20 0.00 0.00 173.24 173.45 1axy s GLY 214 N -0.93 0.30 -0.09 9.45 0.00 -0.06 -0.21 107.32 115.79 1axy s GLY 214 Ca -0.10 -0.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.66 1axy s GLY 214 CO -0.01 -0.93 0.38 0.00 0.00 0.00 0.00 173.10 172.55 1axy s ALA 215 N -2.89 -0.96 0.44 3.20 0.00 -0.77 -1.65 121.76 119.12 1axy s ALA 215 Ca -0.03 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.81 1axy s ALA 215 Cb 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 1axy s ALA 215 CO -0.06 -0.23 0.44 0.95 0.00 0.00 0.00 175.76 176.86 1axy s THR 216 N -0.54 2.62 1.02 0.00 -4.23 0.44 -0.29 115.64 114.66 1axy s THR 216 Ca -0.07 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 1axy s THR 216 Cb -0.04 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.12 1axy s THR 216 CO 0.03 0.00 1.08 -0.83 -0.54 0.00 0.00 174.62 174.35 1axy s GLY 217 N -4.22 1.59 0.23 3.99 0.00 0.87 -4.01 107.32 105.77 1axy s GLY 217 Ca 0.49 -0.02 0.25 0.00 0.00 0.00 0.00 44.72 45.45 1axy s GLY 217 CO 0.29 0.57 1.68 0.00 0.00 0.00 0.00 173.10 175.64 1axy h ALA 218 N -2.08 0.94 -2.75 3.20 0.00 -1.97 0.22 119.26 116.82 1axy h ALA 218 Ca -0.54 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.75 1axy h ALA 218 Cb 1.31 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1axy h ALA 218 CO 0.51 0.00 -0.76 1.14 0.00 0.00 0.00 179.25 180.14 1axy s GLN 219 N -3.13 1.77 -0.05 0.00 -2.07 -1.26 -4.91 119.66 110.01 1axy s GLN 219 Ca 0.09 -1.53 -0.37 0.00 -1.82 0.00 0.00 55.36 51.73 1axy s GLN 219 Cb 0.11 -1.93 -0.15 0.00 -1.09 0.00 0.00 33.01 29.95 1axy s GLN 219 CO 0.63 0.38 1.58 -2.13 -1.32 0.00 0.00 175.29 174.43 1axy n ARG 220 N -0.18 1.43 -0.94 9.60 0.63 -1.26 -1.54 116.66 124.40 1axy n ARG 220 Ca -0.09 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1axy n ARG 220 Cb 0.57 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.26 1axy n ARG 220 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1axy n ASP 221 N 4.14 -3.35 -4.53 6.15 8.00 -1.26 -4.64 116.55 121.07 1axy n ASP 221 Ca 0.21 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1axy n ASP 221 Cb 0.20 -1.76 -0.01 0.00 -0.02 0.00 0.00 41.12 39.53 1axy n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axy s ALA 222 N -1.78 3.43 0.25 2.24 0.00 -0.59 -4.54 121.76 120.77 1axy s ALA 222 Ca 0.00 -2.93 -0.11 0.00 0.00 0.00 0.00 51.96 48.92 1axy s ALA 222 Cb 0.00 -4.42 -0.01 0.00 0.00 0.00 0.00 23.12 18.69 1axy s ALA 222 CO 0.00 -3.17 0.45 0.00 0.00 0.00 0.00 175.76 173.05 1axy s ALA 223 N 3.43 -0.08 0.05 0.00 0.00 -1.26 -0.09 121.76 123.81 1axy s ALA 223 Ca 0.47 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 1axy s ALA 223 Cb 0.01 1.10 0.09 0.00 0.00 0.00 0.00 23.12 24.31 1axy s ALA 223 CO 0.01 -0.83 1.03 -1.83 0.00 0.00 0.00 175.76 174.14 1axy s GLU 224 N -3.96 0.87 0.52 0.00 -1.05 -1.25 -4.40 118.70 109.44 1axy s GLU 224 Ca 0.24 -0.44 -0.06 0.00 -0.15 0.00 0.00 54.97 54.57 1axy s GLU 224 Cb -0.00 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1axy s GLU 224 CO 0.10 -0.39 0.83 0.95 0.95 0.00 0.00 175.26 177.70 1axy s THR 225 N -3.00 4.57 -0.41 1.83 -4.23 -0.74 -4.84 115.64 108.81 1axy s THR 225 Ca 0.11 0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1axy s THR 225 Cb -0.00 -3.76 0.22 0.00 1.34 0.00 0.00 72.50 70.30 1axy s THR 225 CO -0.02 -0.77 0.50 1.41 -0.54 0.00 0.00 174.62 175.19 1axy n HIS 226 N -2.38 -1.04 -3.50 3.99 -0.00 -1.26 -3.93 115.22 107.10 1axy n HIS 226 Ca 0.02 -3.18 -0.37 0.00 -0.00 0.00 0.00 57.72 54.19 1axy n HIS 226 Cb 0.56 0.15 -0.07 0.00 -0.00 0.00 0.00 29.99 30.63 1axy n HIS 226 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1axy s ASP 227 N -0.65 6.56 -0.11 0.41 1.01 -0.82 -1.77 116.67 121.31 1axy s ASP 227 Ca 0.34 0.66 0.02 0.00 0.71 0.00 0.00 52.55 54.28 1axy s ASP 227 Cb 0.12 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 1axy s ASP 227 CO -0.15 0.14 -0.17 -0.69 0.21 0.00 0.00 175.17 174.51 1axy s VAL 228 N 0.11 2.73 -0.15 -1.27 1.01 0.23 -0.89 120.40 122.18 1axy s VAL 228 Ca 0.20 -0.79 0.17 0.00 0.00 0.00 0.00 61.98 61.56 1axy s VAL 228 Cb -0.14 -2.10 -0.25 0.00 0.00 0.00 0.00 36.38 33.89 1axy s VAL 228 CO 0.07 0.54 0.14 -1.22 0.00 0.00 0.00 175.10 174.64 1axy n TYR 229 N 3.32 0.00 -3.49 5.22 4.01 -0.17 -1.22 117.16 124.83 1axy n TYR 229 Ca -0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 1axy n TYR 229 Cb 0.53 -0.83 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 1axy n TYR 229 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1axy s SER 230 N -5.11 -0.47 -0.29 7.72 1.04 -1.25 -3.94 113.70 111.40 1axy s SER 230 Ca -0.09 -0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 1axy s SER 230 Cb 0.07 0.56 0.12 0.00 0.10 0.00 0.00 66.02 66.87 1axy s SER 230 CO 0.78 -0.92 0.78 0.86 0.98 0.00 0.00 173.24 175.72 1axy s TRP 231 N -3.71 -1.01 0.12 5.02 -0.00 -0.47 -2.62 118.94 116.28 1axy s TRP 231 Ca 0.01 1.86 0.06 0.00 -0.00 0.00 0.00 56.10 58.02 1axy s TRP 231 Cb -0.00 0.60 -0.04 0.00 -0.00 0.00 0.00 33.47 34.03 1axy s TRP 231 CO -0.12 -0.50 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.65 1axy s SER 232 N 2.18 1.96 -0.03 5.86 1.04 -0.27 -0.47 113.70 123.97 1axy s SER 232 Ca -0.07 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.35 1axy s SER 232 Cb -0.07 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1axy s SER 232 CO -0.18 -0.16 0.42 0.12 0.98 0.00 0.00 173.24 174.42 1axy s PHE 233 N -2.19 -0.33 -0.21 5.02 2.19 -0.20 -1.93 117.98 120.33 1axy s PHE 233 Ca 0.09 0.53 -0.18 0.00 0.33 0.00 0.00 56.93 57.70 1axy s PHE 233 Cb -0.05 0.19 0.06 0.00 -1.31 0.00 0.00 43.02 41.91 1axy s PHE 233 CO 0.03 -0.45 0.55 -1.14 1.83 0.00 0.00 175.22 176.04 1axy s GLN 234 N -1.27 0.63 -0.01 10.12 0.74 -0.54 -0.99 119.66 128.35 1axy s GLN 234 Ca -0.13 0.81 -0.03 0.00 0.05 0.00 0.00 55.36 56.06 1axy s GLN 234 Cb -0.04 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1axy s GLN 234 CO 0.06 -0.09 0.07 0.00 -0.55 0.00 0.00 175.29 174.78 1axy s ALA 235 N 0.48 -0.17 -0.08 1.58 0.00 -0.06 -1.10 121.76 122.42 1axy s ALA 235 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1axy s ALA 235 Cb -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1axy s ALA 235 CO -0.02 -0.10 -0.02 -1.12 0.00 0.00 0.00 175.76 174.50 1axy s SER 236 N -0.57 1.71 -0.42 0.00 0.01 -0.51 -1.71 113.70 112.21 1axy s SER 236 Ca -0.06 -0.14 -0.15 0.00 1.31 0.00 0.00 55.95 56.91 1axy s SER 236 Cb -0.04 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.69 1axy s SER 236 CO 0.00 -0.17 0.32 -0.22 0.41 0.00 0.00 173.24 173.58 1axy s LEU 237 N 1.88 5.21 -0.11 2.44 0.20 0.52 -2.12 118.68 126.70 1axy s LEU 237 Ca 0.04 -1.04 -0.29 0.00 0.69 0.00 0.00 54.13 53.54 1axy s LEU 237 Cb -0.12 -2.15 -0.07 0.00 -0.43 0.00 0.00 46.19 43.42 1axy s LEU 237 CO -0.06 -0.50 2.11 -2.65 -0.29 0.00 0.00 176.35 174.97 1axy n PRO 238 N 5.15 2.36 0.00 0.98 -0.02 -1.26 -0.88 135.00 141.32 1axy n PRO 238 Ca -0.11 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1axy n PRO 238 Cb 0.46 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 1axy n PRO 238 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87