#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fx5 n ASP 2 N 0.00 0.94 -4.13 4.04 8.00 -1.26 -4.54 116.55 119.60 1fx5 n ASP 2 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1fx5 n ASP 2 Cb 0.00 0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 41.22 1fx5 n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1fx5 s ASP 3 N -6.02 1.75 -0.15 -2.24 -0.00 -1.26 -3.53 116.67 105.22 1fx5 s ASP 3 Ca -0.19 -0.32 -0.13 0.00 -0.00 0.00 0.00 52.55 51.90 1fx5 s ASP 3 Cb 0.07 -0.17 0.04 0.00 -0.00 0.00 0.00 42.92 42.86 1fx5 s ASP 3 CO 0.74 0.15 0.40 -0.22 -0.00 0.00 0.00 175.17 176.24 1fx5 s LEU 4 N -0.56 0.46 -0.25 1.23 2.96 -0.96 -5.02 118.68 116.54 1fx5 s LEU 4 Ca 0.05 0.80 -0.20 0.00 -0.22 0.00 0.00 54.13 54.56 1fx5 s LEU 4 Cb -0.06 1.35 0.07 0.00 0.50 0.00 0.00 46.19 48.05 1fx5 s LEU 4 CO -0.00 -0.14 0.64 -0.55 -1.32 0.00 0.00 176.35 174.98 1fx5 s SER 5 N 0.28 -0.75 0.07 3.68 0.15 -1.26 -1.13 113.70 114.75 1fx5 s SER 5 Ca -0.01 1.34 -0.12 0.00 0.70 0.00 0.00 55.95 57.87 1fx5 s SER 5 Cb -0.03 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 1fx5 s SER 5 CO -0.00 -0.23 0.27 0.72 1.20 0.00 0.00 173.24 175.20 1fx5 s PHE 6 N 0.83 -0.01 -0.08 3.44 -0.12 -0.67 -5.02 117.98 116.35 1fx5 s PHE 6 Ca -0.04 -0.27 -0.04 0.00 -0.05 0.00 0.00 56.93 56.54 1fx5 s PHE 6 Cb -0.05 0.05 0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1fx5 s PHE 6 CO -0.07 -0.54 0.18 0.21 -0.05 0.00 0.00 175.22 174.95 1fx5 s LYS 7 N -3.21 0.12 -0.27 1.99 2.20 -1.26 -2.00 119.74 117.31 1fx5 s LYS 7 Ca -0.00 0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1fx5 s LYS 7 Cb 0.02 -0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.20 1fx5 s LYS 7 CO -0.07 -0.18 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.65 1fx5 s PHE 8 N 1.30 3.12 -0.12 4.03 0.08 0.14 -4.96 117.98 121.57 1fx5 s PHE 8 Ca -0.08 -1.52 0.20 0.00 0.12 0.00 0.00 56.93 55.65 1fx5 s PHE 8 Cb -0.11 -2.10 0.40 0.00 -0.57 0.00 0.00 43.02 40.64 1fx5 s PHE 8 CO -0.07 -0.72 1.60 0.87 -0.10 0.00 0.00 175.22 176.81 1fx5 h LYS 9 N 8.05 0.00 -2.37 0.44 1.57 -1.90 -2.21 116.57 120.15 1fx5 h LYS 9 Ca -0.30 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.69 1fx5 h LYS 9 Cb 1.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 1fx5 h LYS 9 CO 0.57 0.31 0.65 0.54 -0.57 0.00 0.00 179.45 180.95 1fx5 s ASN 10 N -6.31 -0.02 0.05 0.86 2.20 -1.26 -4.66 114.94 105.80 1fx5 s ASN 10 Ca 0.03 -0.53 0.09 0.00 -0.94 0.00 0.00 52.86 51.52 1fx5 s ASN 10 Cb 0.08 0.41 -0.03 0.00 -2.00 0.00 0.00 41.25 39.71 1fx5 s ASN 10 CO 0.69 -0.81 -0.24 -0.36 -2.94 0.00 0.00 177.10 173.44 1fx5 s PHE 11 N -2.26 2.38 -0.02 1.54 0.40 -0.48 -5.01 117.98 114.53 1fx5 s PHE 11 Ca 0.22 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1fx5 s PHE 11 Cb -0.02 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1fx5 s PHE 11 CO 0.03 0.17 0.06 -1.54 0.70 0.00 0.00 175.22 174.65 1fx5 s SER 12 N -1.34 5.59 0.46 1.36 1.04 -1.26 -4.28 113.70 115.26 1fx5 s SER 12 Ca 0.13 0.15 0.13 0.00 0.48 0.00 0.00 55.95 56.84 1fx5 s SER 12 Cb -0.10 -1.60 1.04 0.00 0.10 0.00 0.00 66.02 65.46 1fx5 s SER 12 CO 0.03 0.30 2.04 1.56 0.98 0.00 0.00 173.24 178.15 1fx5 h GLN 13 N 4.32 0.10 -0.84 4.02 4.20 -1.85 -2.54 115.11 122.52 1fx5 h GLN 13 Ca -0.50 -0.01 -0.43 0.00 0.06 0.00 0.00 58.65 57.77 1fx5 h GLN 13 Cb 1.19 -0.02 -0.26 0.00 0.30 0.00 0.00 27.48 28.69 1fx5 h GLN 13 CO 0.60 0.17 0.47 0.27 -0.67 0.00 0.00 178.83 179.67 1fx5 n ASN 14 N -4.41 3.50 -4.75 1.46 6.94 -1.26 -4.93 115.26 111.80 1fx5 n ASN 14 Ca -0.02 -3.63 -0.35 0.00 -0.02 0.00 0.00 54.58 50.56 1fx5 n ASN 14 Cb 0.17 -0.79 0.04 0.00 -2.36 0.00 0.00 39.78 36.85 1fx5 n ASN 14 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1fx5 s GLY 15 N -1.58 2.52 0.00 4.83 0.00 -0.96 -4.96 107.32 107.17 1fx5 s GLY 15 Ca 0.54 0.85 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1fx5 s GLY 15 CO 0.08 1.24 0.68 0.28 0.00 0.00 0.00 173.10 175.38 1fx5 n LYS 16 N -1.96 0.24 -0.45 2.90 4.76 -1.26 -4.76 118.16 117.64 1fx5 n LYS 16 Ca 0.13 -0.85 0.08 0.00 -2.87 0.00 0.00 58.31 54.80 1fx5 n LYS 16 Cb 0.50 -1.03 0.29 0.00 -1.84 0.00 0.00 35.03 32.95 1fx5 n LYS 16 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1fx5 n ASP 17 N -0.05 4.08 -4.31 4.39 3.85 -1.26 -4.96 116.55 118.30 1fx5 n ASP 17 Ca 0.01 -2.40 -0.27 0.00 -0.71 0.00 0.00 54.79 51.42 1fx5 n ASP 17 Cb 0.10 -0.48 -0.14 0.00 -1.35 0.00 0.00 41.12 39.26 1fx5 n ASP 17 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1fx5 s LEU 18 N -1.73 2.22 -0.12 -2.12 1.43 -1.26 -1.54 118.68 115.56 1fx5 s LEU 18 Ca 0.42 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1fx5 s LEU 18 Cb 0.27 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 1fx5 s LEU 18 CO 0.20 0.17 -0.12 -0.55 0.23 0.00 0.00 176.35 176.28 1fx5 s SER 19 N -1.50 4.11 0.14 2.29 0.15 0.19 -4.82 113.70 114.26 1fx5 s SER 19 Ca 0.09 -0.28 0.09 0.00 0.70 0.00 0.00 55.95 56.55 1fx5 s SER 19 Cb -0.10 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1fx5 s SER 19 CO 0.03 0.20 -0.13 -0.36 1.20 0.00 0.00 173.24 174.17 1fx5 s PHE 20 N 0.16 2.60 -0.03 3.44 0.40 -1.26 -1.72 117.98 121.58 1fx5 s PHE 20 Ca -0.07 -0.23 -0.06 0.00 -0.60 0.00 0.00 56.93 55.98 1fx5 s PHE 20 Cb -0.15 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.06 1fx5 s PHE 20 CO 0.05 0.45 0.13 -0.65 0.70 0.00 0.00 175.22 175.90 1fx5 s GLN 21 N -2.46 0.29 4.44 0.44 -0.21 -0.58 -5.01 119.66 116.58 1fx5 s GLN 21 Ca 0.22 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.52 1fx5 s GLN 21 Cb -0.10 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.04 1fx5 s GLN 21 CO 0.13 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 1fx5 n GLY 22 N 2.33 1.08 2.40 3.09 0.00 -1.26 -0.78 105.19 112.05 1fx5 n GLY 22 Ca -0.17 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1fx5 n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fx5 n ASN 23 N 2.04 6.83 -4.91 1.61 3.02 -0.23 -4.89 115.26 118.73 1fx5 n ASN 23 Ca 0.00 -3.79 -0.29 0.00 -0.03 0.00 0.00 54.58 50.47 1fx5 n ASN 23 Cb 0.00 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.31 1fx5 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fx5 s ALA 24 N -3.81 3.94 -0.09 5.41 0.00 -1.24 -3.55 121.76 122.42 1fx5 s ALA 24 Ca 0.58 -0.93 -0.32 0.00 0.00 0.00 0.00 51.96 51.28 1fx5 s ALA 24 Cb 0.46 -1.76 0.13 0.00 0.00 0.00 0.00 23.12 21.96 1fx5 s ALA 24 CO -0.10 0.72 1.33 -1.54 0.00 0.00 0.00 175.76 176.17 1fx5 s SER 25 N -2.76 -0.05 -0.22 0.00 1.04 -0.26 -4.79 113.70 106.67 1fx5 s SER 25 Ca 0.34 -0.07 -0.15 0.00 0.48 0.00 0.00 55.95 56.56 1fx5 s SER 25 Cb -0.12 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1fx5 s SER 25 CO 0.27 -0.18 0.36 -0.69 0.98 0.00 0.00 173.24 173.98 1fx5 s VAL 26 N -2.27 5.22 0.62 5.02 1.01 -1.26 -0.85 120.40 127.89 1fx5 s VAL 26 Ca 0.14 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1fx5 s VAL 26 Cb 0.04 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.79 1fx5 s VAL 26 CO -0.05 0.25 0.88 0.27 0.00 0.00 0.00 175.10 176.45 1fx5 s ILE 27 N 1.43 2.47 0.58 2.22 -4.36 -0.78 -4.76 121.20 118.00 1fx5 s ILE 27 Ca 0.17 -0.55 0.29 0.00 -0.26 0.00 0.00 60.65 60.29 1fx5 s ILE 27 Cb -0.15 -2.91 0.39 0.00 1.25 0.00 0.00 42.46 41.04 1fx5 s ILE 27 CO 0.08 0.00 1.93 1.05 0.24 0.00 0.00 174.94 178.24 1fx5 h GLU 28 N -0.22 0.00 0.00 0.37 4.11 -1.98 -1.42 114.58 115.45 1fx5 h GLU 28 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1fx5 h GLU 28 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1fx5 h GLU 28 CO 0.52 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.85 1fx5 n THR 29 N -3.86 0.09 -0.77 -1.06 -2.24 -1.26 -4.90 114.28 100.28 1fx5 n THR 29 Ca 0.09 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1fx5 n THR 29 Cb 0.66 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1fx5 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fx5 n GLY 30 N 1.19 0.70 3.66 3.38 0.00 -0.54 -4.99 105.19 108.61 1fx5 n GLY 30 Ca 0.11 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1fx5 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fx5 s VAL 31 N -2.00 4.02 -0.45 1.61 1.01 -1.25 -1.38 120.40 121.96 1fx5 s VAL 31 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1fx5 s VAL 31 Cb 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1fx5 s VAL 31 CO 0.00 0.37 0.71 -0.22 0.00 0.00 0.00 175.10 175.96 1fx5 s LEU 32 N -1.55 4.40 -0.39 3.92 2.96 -0.73 -1.86 118.68 125.43 1fx5 s LEU 32 Ca 0.19 -0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 1fx5 s LEU 32 Cb -0.11 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1fx5 s LEU 32 CO 0.10 -0.85 0.53 -1.58 -1.32 0.00 0.00 176.35 173.23 1fx5 s GLN 33 N 3.03 3.38 0.35 1.98 0.74 -0.03 -1.34 119.66 127.77 1fx5 s GLN 33 Ca 0.26 -0.39 0.14 0.00 0.05 0.00 0.00 55.36 55.42 1fx5 s GLN 33 Cb -0.13 -3.89 0.64 0.00 1.10 0.00 0.00 33.01 30.73 1fx5 s GLN 33 CO 0.20 -0.80 1.76 -0.07 -0.55 0.00 0.00 175.29 175.83 1fx5 h LEU 34 N 9.25 0.00 -7.41 3.68 3.38 -1.63 -0.66 115.31 121.92 1fx5 h LEU 34 Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1fx5 h LEU 34 Cb 1.11 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 1fx5 h LEU 34 CO 0.81 0.43 -0.12 0.54 0.09 0.00 0.00 178.44 180.19 1fx5 s ASN 35 N -6.76 -0.25 0.26 -0.43 2.20 -1.26 -2.31 114.94 106.38 1fx5 s ASN 35 Ca -0.02 -0.07 0.08 0.00 -0.94 0.00 0.00 52.86 51.92 1fx5 s ASN 35 Cb 0.13 0.42 -0.04 0.00 -2.00 0.00 0.00 41.25 39.76 1fx5 s ASN 35 CO 0.72 -0.68 0.08 -1.59 -2.94 0.00 0.00 177.10 172.69 1fx5 s LYS 36 N -2.66 2.56 0.36 3.55 -2.85 -1.23 -4.53 119.74 114.95 1fx5 s LYS 36 Ca -0.04 -1.27 0.08 0.00 -1.00 0.00 0.00 55.97 53.74 1fx5 s LYS 36 Cb -0.00 -2.33 -0.06 0.00 -2.06 0.00 0.00 37.83 33.38 1fx5 s LYS 36 CO -0.04 0.37 0.04 0.14 0.10 0.00 0.00 175.35 175.97 1fx5 s VAL 37 N -2.25 2.47 0.00 1.79 -7.23 -1.26 -4.91 120.40 109.01 1fx5 s VAL 37 Ca 0.32 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1fx5 s VAL 37 Cb -0.07 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1fx5 s VAL 37 CO 0.22 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 1fx5 n GLY 38 N -1.01 3.92 0.39 2.32 0.00 -1.26 -4.96 105.19 104.60 1fx5 n GLY 38 Ca -0.04 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1fx5 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fx5 n ASN 39 N 0.00 1.24 -2.48 1.61 6.94 -1.26 -4.09 115.26 117.22 1fx5 n ASN 39 Ca 0.00 -1.40 -0.36 0.00 -0.02 0.00 0.00 54.58 52.81 1fx5 n ASN 39 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.49 1fx5 n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1fx5 n ASN 40 N -0.04 7.45 -4.26 0.53 6.94 -1.26 -4.93 115.26 119.68 1fx5 n ASN 40 Ca 0.20 -3.80 -0.15 0.00 -0.02 0.00 0.00 54.58 50.81 1fx5 n ASN 40 Cb 0.31 -0.96 -0.10 0.00 -2.36 0.00 0.00 39.78 36.68 1fx5 n ASN 40 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1fx5 s LEU 41 N -3.88 2.47 0.95 -4.53 1.43 -1.26 -5.15 118.68 108.72 1fx5 s LEU 41 Ca 0.60 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1fx5 s LEU 41 Cb 0.48 -0.33 0.17 0.00 0.03 0.00 0.00 46.19 46.54 1fx5 s LEU 41 CO -0.12 -0.36 1.11 -2.84 0.23 0.00 0.00 176.35 174.36 1fx5 s PRO 42 N -3.77 0.73 0.13 1.29 0.02 -1.26 -4.93 135.00 127.22 1fx5 s PRO 42 Ca 0.19 1.25 -0.19 0.00 0.02 0.00 0.00 61.00 62.27 1fx5 s PRO 42 Cb 0.03 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 1fx5 s PRO 42 CO 0.02 -2.73 1.72 -0.44 -0.33 0.00 0.00 177.00 175.24 1fx5 h ASP 43 N -1.93 -0.08 -3.58 2.53 3.45 -1.99 -3.35 116.42 111.49 1fx5 h ASP 43 Ca -0.48 0.05 -0.70 0.00 0.43 0.00 0.00 57.03 56.32 1fx5 h ASP 43 Cb 1.28 0.09 -0.21 0.00 -0.56 0.00 0.00 39.33 39.93 1fx5 h ASP 43 CO 0.46 -0.01 -0.46 -1.61 -1.57 0.00 0.00 179.24 176.05 1fx5 s GLU 44 N -6.19 3.11 0.10 3.56 2.02 -1.26 -1.65 118.70 118.39 1fx5 s GLU 44 Ca -0.13 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.01 1fx5 s GLU 44 Cb 0.10 -3.88 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 1fx5 s GLU 44 CO 0.69 -0.64 -0.16 -0.08 0.02 0.00 0.00 175.26 175.09 1fx5 s THR 45 N 1.67 1.36 0.03 3.63 -1.32 -0.95 -4.64 115.64 115.42 1fx5 s THR 45 Ca 0.05 -1.57 -0.17 0.00 -1.21 0.00 0.00 61.69 58.79 1fx5 s THR 45 Cb -0.18 -1.41 0.06 0.00 -1.51 0.00 0.00 72.50 69.45 1fx5 s THR 45 CO 0.09 -0.28 0.79 0.61 -2.21 0.00 0.00 174.62 173.62 1fx5 n GLY 46 N 0.86 0.50 3.51 6.08 0.00 -1.26 -1.25 105.19 113.64 1fx5 n GLY 46 Ca -0.18 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1fx5 n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fx5 s GLY 47 N -3.29 0.24 0.01 -0.02 0.00 -0.35 -1.07 107.32 102.84 1fx5 s GLY 47 Ca 0.18 -0.59 -0.00 0.00 0.00 0.00 0.00 44.72 44.31 1fx5 s GLY 47 CO 0.01 -0.51 -0.01 -0.42 0.00 0.00 0.00 173.10 172.17 1fx5 s ILE 48 N -3.94 0.04 -0.04 0.90 1.01 0.04 -1.91 121.20 117.30 1fx5 s ILE 48 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1fx5 s ILE 48 Cb -0.00 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.39 1fx5 s ILE 48 CO 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 174.94 174.83 1fx5 s ALA 49 N -0.59 -0.04 0.09 9.38 0.00 -0.43 -1.52 121.76 128.65 1fx5 s ALA 49 Ca -0.07 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1fx5 s ALA 49 Cb -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1fx5 s ALA 49 CO -0.00 -0.17 -0.11 1.03 0.00 0.00 0.00 175.76 176.51 1fx5 s ARG 50 N 1.24 0.85 0.36 0.00 0.52 -0.70 -0.83 118.95 120.39 1fx5 s ARG 50 Ca -0.08 -1.13 -0.27 0.00 -0.52 0.00 0.00 55.73 53.73 1fx5 s ARG 50 Cb -0.12 -0.58 -0.09 0.00 0.52 0.00 0.00 34.95 34.67 1fx5 s ARG 50 CO -0.04 0.10 1.22 -0.47 0.02 0.00 0.00 175.30 176.13 1fx5 s TYR 51 N -2.27 3.11 0.49 -0.53 6.14 -0.87 -0.64 117.35 122.78 1fx5 s TYR 51 Ca 0.04 1.51 0.16 0.00 0.64 0.00 0.00 57.07 59.43 1fx5 s TYR 51 Cb -0.04 -3.51 1.19 0.00 0.42 0.00 0.00 41.96 40.02 1fx5 s TYR 51 CO 0.01 -1.48 2.08 0.97 0.64 0.00 0.00 175.55 177.76 1fx5 h ILE 52 N 2.70 1.02 -3.13 3.14 2.10 -1.60 -3.44 117.51 118.31 1fx5 h ILE 52 Ca -0.49 -0.31 -0.60 0.00 1.08 0.00 0.00 64.86 64.55 1fx5 h ILE 52 Cb 1.23 1.17 -0.08 0.00 -1.09 0.00 0.00 36.82 38.05 1fx5 h ILE 52 CO 0.64 0.09 -0.26 0.00 -1.08 0.00 0.00 178.15 177.54 1fx5 s ALA 53 N -4.82 3.64 0.65 0.18 0.00 -1.26 -5.02 121.76 115.13 1fx5 s ALA 53 Ca -0.04 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1fx5 s ALA 53 Cb 0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1fx5 s ALA 53 CO 0.67 0.28 1.11 -2.14 0.00 0.00 0.00 175.76 175.68 1fx5 s PRO 54 N -0.25 2.87 -0.09 0.00 0.02 -1.26 -4.81 135.00 131.48 1fx5 s PRO 54 Ca 0.21 1.38 -0.01 0.00 0.02 0.00 0.00 61.00 62.59 1fx5 s PRO 54 Cb -0.15 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1fx5 s PRO 54 CO 0.09 -1.20 -0.02 0.42 -0.33 0.00 0.00 177.00 175.96 1fx5 s ILE 55 N -2.34 4.14 -0.64 2.83 -1.09 0.78 -4.84 121.20 120.04 1fx5 s ILE 55 Ca 0.67 -0.31 -0.24 0.00 -2.23 0.00 0.00 60.65 58.54 1fx5 s ILE 55 Cb -0.20 -2.74 0.05 0.00 -1.58 0.00 0.00 42.46 37.99 1fx5 s ILE 55 CO 0.41 0.59 1.02 -2.28 -1.23 0.00 0.00 174.94 173.45 1fx5 s HIS 56 N -0.73 2.63 -0.03 3.97 2.46 -1.26 -1.24 115.29 121.09 1fx5 s HIS 56 Ca 0.11 -0.30 -0.01 0.00 0.47 0.00 0.00 55.06 55.33 1fx5 s HIS 56 Cb -0.11 -4.30 -0.27 0.00 -0.13 0.00 0.00 32.58 27.77 1fx5 s HIS 56 CO 0.02 -1.65 0.73 0.97 -2.47 0.00 0.00 174.74 172.34 1fx5 h ILE 57 N 6.00 1.00 -3.61 0.89 6.09 -1.15 -3.45 117.51 123.28 1fx5 h ILE 57 Ca -0.28 -2.69 -0.11 0.00 -1.37 0.00 0.00 64.86 60.42 1fx5 h ILE 57 Cb 1.07 2.66 -0.17 0.00 0.47 0.00 0.00 36.82 40.85 1fx5 h ILE 57 CO 1.18 0.78 -0.40 -1.66 -3.07 0.00 0.00 178.15 174.98 1fx5 s TRP 58 N -2.60 0.08 -0.27 2.19 1.48 -1.17 -1.10 118.94 117.54 1fx5 s TRP 58 Ca -0.11 -0.33 -0.02 0.00 -1.06 0.00 0.00 56.10 54.58 1fx5 s TRP 58 Cb 0.07 -0.04 0.04 0.00 -1.16 0.00 0.00 33.47 32.37 1fx5 s TRP 58 CO 0.83 -0.44 -0.02 1.21 -4.06 0.00 0.00 176.95 174.47 1fx5 s ASN 59 N -2.19 4.63 0.51 -2.66 3.84 0.37 -4.67 114.94 114.78 1fx5 s ASN 59 Ca -0.04 -1.04 0.27 0.00 0.21 0.00 0.00 52.86 52.27 1fx5 s ASN 59 Cb -0.00 -1.70 1.36 0.00 -0.55 0.00 0.00 41.25 40.36 1fx5 s ASN 59 CO -0.05 -0.19 2.03 0.00 -2.79 0.00 0.00 177.10 176.10 1fx5 h ASN 61 N 0.00 0.71 -0.00 0.00 2.35 -1.97 -3.34 115.58 113.33 1fx5 h ASN 61 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 1fx5 h ASN 61 Cb 0.41 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1fx5 h ASN 61 CO 0.02 1.23 -0.87 0.35 -1.65 0.00 0.00 177.43 176.51 1fx5 n THR 62 N -4.15 0.00 -0.98 2.81 -2.24 -1.15 -4.97 114.28 103.59 1fx5 n THR 62 Ca -0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1fx5 n THR 62 Cb 0.64 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1fx5 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fx5 n GLY 63 N 1.44 0.48 3.83 3.38 0.00 0.60 -5.00 105.19 109.92 1fx5 n GLY 63 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1fx5 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fx5 s GLU 64 N -0.33 4.17 -0.07 1.61 2.02 -1.20 -4.88 118.70 120.02 1fx5 s GLU 64 Ca 0.00 1.00 0.04 0.00 0.02 0.00 0.00 54.97 56.04 1fx5 s GLU 64 Cb 0.00 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 1fx5 s GLU 64 CO 0.00 0.01 -0.20 -1.17 0.02 0.00 0.00 175.26 173.92 1fx5 s LEU 65 N -3.16 1.95 0.51 1.80 2.96 -1.26 -0.48 118.68 121.00 1fx5 s LEU 65 Ca 0.60 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 1fx5 s LEU 65 Cb -0.09 -1.16 -0.07 0.00 0.50 0.00 0.00 46.19 45.37 1fx5 s LEU 65 CO 0.15 0.15 0.94 0.00 -1.32 0.00 0.00 176.35 176.27 1fx5 s ALA 66 N 0.19 3.14 0.11 5.97 0.00 -0.26 -4.83 121.76 126.09 1fx5 s ALA 66 Ca -0.10 0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1fx5 s ALA 66 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1fx5 s ALA 66 CO 0.05 -0.26 0.02 -1.12 0.00 0.00 0.00 175.76 174.45 1fx5 s SER 67 N -3.29 5.08 0.14 0.00 0.01 0.49 -4.41 113.70 111.72 1fx5 s SER 67 Ca 0.56 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.49 1fx5 s SER 67 Cb -0.10 -1.21 0.01 0.00 0.21 0.00 0.00 66.02 64.93 1fx5 s SER 67 CO 0.35 0.14 0.35 0.72 0.41 0.00 0.00 173.24 175.22 1fx5 s PHE 68 N -1.45 0.05 -0.09 2.43 -0.71 -0.68 -1.39 117.98 116.13 1fx5 s PHE 68 Ca 0.27 -0.41 -0.08 0.00 -1.04 0.00 0.00 56.93 55.67 1fx5 s PHE 68 Cb -0.11 0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.86 1fx5 s PHE 68 CO 0.19 -0.72 0.25 -1.50 -1.34 0.00 0.00 175.22 172.10 1fx5 s ILE 69 N -3.87 -0.00 0.00 -4.49 2.07 -0.51 -0.80 121.20 113.59 1fx5 s ILE 69 Ca 0.08 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1fx5 s ILE 69 Cb 0.02 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.25 1fx5 s ILE 69 CO -0.07 0.01 0.05 0.28 -1.91 0.00 0.00 174.94 173.30 1fx5 s THR 70 N 0.27 0.08 -0.04 4.00 -1.32 -0.35 -1.75 115.64 116.53 1fx5 s THR 70 Ca -0.01 -0.65 -0.09 0.00 -1.21 0.00 0.00 61.69 59.73 1fx5 s THR 70 Cb -0.03 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.68 1fx5 s THR 70 CO -0.01 -0.36 0.20 -0.94 -2.21 0.00 0.00 174.62 171.31 1fx5 s SER 71 N -1.14 -0.12 0.09 8.08 1.04 -0.47 -1.23 113.70 119.95 1fx5 s SER 71 Ca -0.12 0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.16 1fx5 s SER 71 Cb -0.07 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.45 1fx5 s SER 71 CO 0.00 -0.26 0.71 0.72 0.98 0.00 0.00 173.24 175.39 1fx5 s PHE 72 N -0.75 -0.48 -0.02 5.02 -0.12 -0.97 -1.07 117.98 119.59 1fx5 s PHE 72 Ca -0.08 0.36 0.05 0.00 -0.05 0.00 0.00 56.93 57.20 1fx5 s PHE 72 Cb -0.05 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1fx5 s PHE 72 CO 0.01 -0.72 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.18 1fx5 s SER 73 N -2.51 3.88 0.17 1.98 0.01 -1.24 -0.76 113.70 115.22 1fx5 s SER 73 Ca 0.01 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 56.94 1fx5 s SER 73 Cb -0.01 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.46 1fx5 s SER 73 CO -0.10 0.32 0.20 0.72 0.41 0.00 0.00 173.24 174.79 1fx5 s PHE 74 N -0.77 0.70 0.09 2.43 -0.12 -0.82 -0.83 117.98 118.65 1fx5 s PHE 74 Ca 0.12 -1.04 -0.17 0.00 -0.05 0.00 0.00 56.93 55.79 1fx5 s PHE 74 Cb -0.11 -0.27 0.04 0.00 -0.63 0.00 0.00 43.02 42.05 1fx5 s PHE 74 CO 0.02 -0.66 0.41 -0.59 -0.05 0.00 0.00 175.22 174.35 1fx5 s PHE 75 N -4.04 -0.25 0.10 3.49 -0.71 -0.41 -2.02 117.98 114.14 1fx5 s PHE 75 Ca 0.24 0.07 0.07 0.00 -1.04 0.00 0.00 56.93 56.27 1fx5 s PHE 75 Cb 0.05 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1fx5 s PHE 75 CO 0.04 -0.65 -0.19 -1.64 -1.34 0.00 0.00 175.22 171.44 1fx5 s MET 76 N -3.17 1.06 0.00 1.99 -1.94 -1.26 -1.08 119.30 114.89 1fx5 s MET 76 Ca -0.01 -1.13 0.04 0.00 -1.71 0.00 0.00 55.69 52.88 1fx5 s MET 76 Cb 0.01 -1.24 -0.01 0.00 2.01 0.00 0.00 34.83 35.60 1fx5 s MET 76 CO -0.07 0.28 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.89 1fx5 s GLU 77 N -1.95 0.91 -0.04 2.03 2.02 -0.87 -0.28 118.70 120.54 1fx5 s GLU 77 Ca 0.05 -0.47 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 1fx5 s GLU 77 Cb -0.10 -0.88 0.04 0.00 0.10 0.00 0.00 34.13 33.28 1fx5 s GLU 77 CO 0.04 0.24 0.40 -0.08 0.02 0.00 0.00 175.26 175.88 1fx5 s THR 78 N -0.39 0.04 -0.98 3.63 -1.32 -1.26 -1.48 115.64 113.88 1fx5 s THR 78 Ca 0.04 -0.32 0.17 0.00 -1.21 0.00 0.00 61.69 60.37 1fx5 s THR 78 Cb -0.05 -0.69 -0.14 0.00 -1.51 0.00 0.00 72.50 70.11 1fx5 s THR 78 CO -0.00 -0.17 0.76 -1.20 -2.21 0.00 0.00 174.62 171.79 1fx5 n SER 79 N 1.40 1.01 -4.79 8.08 7.64 -1.26 -4.97 113.62 120.74 1fx5 n SER 79 Ca -0.20 -1.00 -0.23 0.00 1.01 0.00 0.00 58.87 58.45 1fx5 n SER 79 Cb 0.56 0.87 0.08 0.00 -1.01 0.00 0.00 64.21 64.72 1fx5 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fx5 s ALA 80 N -2.44 3.75 0.08 -0.43 0.00 -1.26 -5.01 121.76 116.44 1fx5 s ALA 80 Ca 0.08 -1.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.17 1fx5 s ALA 80 Cb 0.13 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 1fx5 s ALA 80 CO 0.63 -1.23 1.70 1.21 0.00 0.00 0.00 175.76 178.07 1fx5 s ASN 81 N -4.63 6.56 0.27 0.00 3.84 -1.26 -4.90 114.94 114.83 1fx5 s ASN 81 Ca 0.63 2.55 0.01 0.00 0.21 0.00 0.00 52.86 56.25 1fx5 s ASN 81 Cb -0.07 -2.56 0.61 0.00 -0.55 0.00 0.00 41.25 38.67 1fx5 s ASN 81 CO 0.42 -0.92 1.73 -0.65 -2.79 0.00 0.00 177.10 174.90 1fx5 h PRO 82 N 8.43 0.49 -0.97 0.43 0.11 -1.95 -2.37 132.00 136.17 1fx5 h PRO 82 Ca -0.43 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.73 1fx5 h PRO 82 Cb 1.20 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 1fx5 h PRO 82 CO 0.93 0.33 0.62 0.87 -0.21 0.00 0.00 178.00 180.54 1fx5 h LYS 83 N 0.51 1.04 0.00 1.05 6.56 -1.97 -2.90 116.57 120.86 1fx5 h LYS 83 Ca 0.50 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1fx5 h LYS 83 Cb 0.83 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1fx5 h LYS 83 CO -0.44 0.69 -0.45 0.00 -2.06 0.00 0.00 179.45 177.19 1fx5 h ALA 84 N 1.47 0.71 -2.94 3.86 0.00 -1.81 -3.48 119.26 117.07 1fx5 h ALA 84 Ca 0.44 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.81 1fx5 h ALA 84 Cb 0.27 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.17 1fx5 h ALA 84 CO -0.20 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.69 1fx5 s ALA 85 N -3.17 3.12 0.34 0.00 0.00 -1.02 -4.86 121.76 116.17 1fx5 s ALA 85 Ca 0.07 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1fx5 s ALA 85 Cb 0.12 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1fx5 s ALA 85 CO 0.69 -1.10 0.08 0.95 0.00 0.00 0.00 175.76 176.38 1fx5 s THR 86 N -1.27 0.98 -0.00 0.00 -4.23 -0.69 -4.59 115.64 105.83 1fx5 s THR 86 Ca 0.63 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1fx5 s THR 86 Cb -0.40 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 1fx5 s THR 86 CO 0.51 0.00 0.03 0.47 -0.54 0.00 0.00 174.62 175.08 1fx5 n ASP 87 N -0.80 4.72 0.00 3.99 9.92 -0.27 -3.93 116.55 130.17 1fx5 n ASP 87 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1fx5 n ASP 87 Cb 0.66 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 42.19 1fx5 n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fx5 n GLY 88 N 2.44 0.55 3.40 0.44 0.00 -1.21 -2.16 105.19 108.65 1fx5 n GLY 88 Ca -0.00 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.60 1fx5 n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1fx5 s LEU 89 N 0.00 1.90 -0.04 0.99 2.34 -0.86 -2.71 118.68 120.30 1fx5 s LEU 89 Ca 0.00 -1.45 -0.14 0.00 0.06 0.00 0.00 54.13 52.60 1fx5 s LEU 89 Cb 0.00 -0.12 0.02 0.00 -0.56 0.00 0.00 46.19 45.53 1fx5 s LEU 89 CO 0.00 -0.74 0.31 -0.89 -1.06 0.00 0.00 176.35 173.96 1fx5 s THR 90 N -3.48 0.04 -0.15 5.48 2.01 -0.14 -1.75 115.64 117.66 1fx5 s THR 90 Ca 0.35 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 1fx5 s THR 90 Cb 0.07 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 1fx5 s THR 90 CO 0.15 -0.20 -0.11 0.12 -0.69 0.00 0.00 174.62 173.89 1fx5 s PHE 91 N -0.96 2.86 0.09 4.92 2.19 -0.82 -2.21 117.98 124.06 1fx5 s PHE 91 Ca -0.10 -0.66 -0.07 0.00 0.33 0.00 0.00 56.93 56.43 1fx5 s PHE 91 Cb -0.05 -1.90 -0.01 0.00 -1.31 0.00 0.00 43.02 39.75 1fx5 s PHE 91 CO 0.03 -0.25 0.15 -0.59 1.83 0.00 0.00 175.22 176.39 1fx5 s PHE 92 N 0.53 0.27 -0.11 10.12 -0.71 -0.72 -1.09 117.98 126.27 1fx5 s PHE 92 Ca -0.07 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.13 1fx5 s PHE 92 Cb -0.15 -0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.53 1fx5 s PHE 92 CO 0.04 -0.53 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.69 1fx5 s LEU 93 N -2.89 1.92 0.28 -1.99 1.02 -0.67 -2.72 118.68 113.63 1fx5 s LEU 93 Ca 0.07 -0.50 -0.14 0.00 0.02 0.00 0.00 54.13 53.58 1fx5 s LEU 93 Cb 0.05 -1.24 0.01 0.00 0.02 0.00 0.00 46.19 45.03 1fx5 s LEU 93 CO -0.09 0.08 0.58 0.00 0.02 0.00 0.00 176.35 176.93 1fx5 s ALA 94 N 0.71 -0.45 0.29 4.21 0.00 -1.17 -2.38 121.76 122.96 1fx5 s ALA 94 Ca -0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1fx5 s ALA 94 Cb -0.16 0.97 -0.13 0.00 0.00 0.00 0.00 23.12 23.80 1fx5 s ALA 94 CO 0.02 -0.91 1.36 -2.30 0.00 0.00 0.00 175.76 173.93 1fx5 n PRO 95 N -0.44 2.10 0.29 0.00 -0.02 -1.26 -1.47 135.00 134.20 1fx5 n PRO 95 Ca -0.03 0.74 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 1fx5 n PRO 95 Cb 0.61 -2.37 0.96 0.00 -0.02 0.00 0.00 33.50 32.68 1fx5 n PRO 95 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1fx5 h PRO 96 N 3.52 0.00 -0.34 0.52 0.13 -1.88 -1.96 132.00 131.99 1fx5 h PRO 96 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1fx5 h PRO 96 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1fx5 h PRO 96 CO 0.70 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 1fx5 n ASP 97 N -3.36 4.25 -4.77 1.44 5.75 -1.26 -4.91 116.55 113.69 1fx5 n ASP 97 Ca -0.01 -2.95 -0.37 0.00 -0.01 0.00 0.00 54.79 51.44 1fx5 n ASP 97 Cb 0.24 -0.56 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1fx5 n ASP 97 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1fx5 s SER 98 N -1.65 6.05 0.62 -1.12 1.04 -0.74 -5.02 113.70 112.89 1fx5 s SER 98 Ca 0.44 2.40 -0.06 0.00 0.48 0.00 0.00 55.95 59.22 1fx5 s SER 98 Cb 0.35 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.88 1fx5 s SER 98 CO 0.11 -1.01 0.93 -2.16 0.98 0.00 0.00 173.24 172.09 1fx5 s PRO 99 N -2.68 2.67 0.13 4.02 0.04 -1.26 -5.04 135.00 132.87 1fx5 s PRO 99 Ca 0.64 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 1fx5 s PRO 99 Cb -0.31 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 1fx5 s PRO 99 CO 0.38 -0.87 1.12 -1.17 0.04 0.00 0.00 177.00 176.50 1fx5 s LEU 100 N -5.05 4.44 0.00 -3.56 0.20 -1.26 -4.95 118.68 108.50 1fx5 s LEU 100 Ca 0.56 2.03 0.00 0.00 0.69 0.00 0.00 54.13 57.41 1fx5 s LEU 100 Cb -0.11 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 1fx5 s LEU 100 CO 0.45 -0.30 0.00 0.54 -0.29 0.00 0.00 176.35 176.75 1fx5 n ARG 101 N 2.97 3.47 -2.41 1.98 1.74 -0.22 -5.05 116.66 119.14 1fx5 n ARG 101 Ca 0.05 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 1fx5 n ARG 101 Cb 0.47 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.87 1fx5 n ARG 101 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1fx5 s ARG 102 N 4.02 4.50 0.00 5.56 3.52 -0.88 -4.60 118.95 131.07 1fx5 s ARG 102 Ca 0.00 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 1fx5 s ARG 102 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1fx5 s ARG 102 CO 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 175.30 174.40 1fx5 n ALA 103 N 2.81 0.00 -0.75 6.12 0.00 -1.26 0.64 120.51 128.07 1fx5 n ALA 103 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1fx5 n ALA 103 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1fx5 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fx5 n GLY 104 N 5.00 2.23 0.00 0.00 0.00 -1.25 -2.14 105.19 109.02 1fx5 n GLY 104 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.56 1fx5 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fx5 n GLY 105 N 0.00 -0.46 1.02 -0.02 0.00 -1.26 -2.22 105.19 102.24 1fx5 n GLY 105 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1fx5 n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fx5 n TYR 106 N -0.91 0.28 -1.01 1.61 4.02 -0.91 -4.98 117.16 115.25 1fx5 n TYR 106 Ca 0.09 -0.15 -0.07 0.00 -0.01 0.00 0.00 57.90 57.77 1fx5 n TYR 106 Cb 0.04 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 1fx5 n TYR 106 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1fx5 n PHE 107 N 1.35 -0.19 -0.98 -0.72 3.01 -0.94 -1.89 117.46 117.10 1fx5 n PHE 107 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1fx5 n PHE 107 Cb 0.58 -2.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.04 1fx5 n PHE 107 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fx5 n GLY 108 N 0.19 0.82 0.08 1.37 0.00 0.21 -4.58 105.19 103.28 1fx5 n GLY 108 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1fx5 n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fx5 n LEU 109 N 0.00 0.00 -4.46 0.99 4.77 -0.80 -1.06 117.00 116.44 1fx5 n LEU 109 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1fx5 n LEU 109 Cb 0.01 0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1fx5 n LEU 109 CO 0.00 0.39 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.71 1fx5 s PHE 110 N -2.68 2.09 -0.08 -1.77 0.08 -1.14 -4.83 117.98 109.64 1fx5 s PHE 110 Ca -0.09 -0.61 -0.14 0.00 0.12 0.00 0.00 56.93 56.20 1fx5 s PHE 110 Cb 0.07 -1.16 -0.29 0.00 -0.57 0.00 0.00 43.02 41.07 1fx5 s PHE 110 CO 0.82 0.40 0.60 -0.91 -0.10 0.00 0.00 175.22 176.04 1fx5 h ASN 111 N 2.22 0.47 0.00 1.36 2.35 -1.90 -2.33 115.58 117.74 1fx5 h ASN 111 Ca -0.40 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.46 1fx5 h ASN 111 Cb 1.24 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1fx5 h ASN 111 CO 0.67 1.67 0.00 -0.90 -1.65 0.00 0.00 177.43 177.23 1fx5 n ASP 112 N -3.81 0.00 -0.08 5.81 3.85 -1.26 -4.79 116.55 116.27 1fx5 n ASP 112 Ca -0.25 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 53.98 1fx5 n ASP 112 Cb 0.96 0.00 0.62 0.00 -1.35 0.00 0.00 41.12 41.35 1fx5 n ASP 112 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1fx5 n THR 113 N 0.00 0.00 -2.26 2.12 -2.24 -1.26 -4.71 114.28 105.92 1fx5 n THR 113 Ca 0.00 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1fx5 n THR 113 Cb 0.00 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 1fx5 n THR 113 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1fx5 s LYS 114 N -2.55 4.42 0.23 -0.78 1.02 -1.26 -4.74 119.74 116.08 1fx5 s LYS 114 Ca 0.27 2.00 -0.23 0.00 0.02 0.00 0.00 55.97 58.03 1fx5 s LYS 114 Cb 0.20 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1fx5 s LYS 114 CO 0.49 -0.19 0.79 0.00 -0.92 0.00 0.00 175.35 175.52 1fx5 s ASP 117 N -1.48 -0.94 0.55 0.00 -1.08 -0.65 -5.03 116.67 108.06 1fx5 s ASP 117 Ca 0.42 1.45 0.24 0.00 -0.52 0.00 0.00 52.55 54.14 1fx5 s ASP 117 Cb -0.19 1.67 1.50 0.00 -1.46 0.00 0.00 42.92 44.44 1fx5 s ASP 117 CO 0.23 -0.23 2.12 0.28 0.52 0.00 0.00 175.17 178.10 1fx5 h SER 118 N 7.46 0.00 0.41 -0.34 0.02 -1.97 -2.26 113.55 116.88 1fx5 h SER 118 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1fx5 h SER 118 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1fx5 h SER 118 CO 0.15 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.30 1fx5 n SER 119 N -4.17 0.00 0.03 3.07 3.41 -1.26 -2.51 113.62 112.19 1fx5 n SER 119 Ca 0.01 0.42 -0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1fx5 n SER 119 Cb 0.27 -0.46 0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1fx5 n SER 119 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1fx5 h TYR 120 N 0.00 0.57 -6.45 7.33 0.05 -1.75 -3.47 116.97 113.25 1fx5 h TYR 120 Ca 0.00 -0.19 -0.49 0.00 0.05 0.00 0.00 58.73 58.11 1fx5 h TYR 120 Cb 0.21 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.84 1fx5 h TYR 120 CO 0.00 0.87 -0.93 1.04 -1.05 0.00 0.00 178.16 178.09 1fx5 n GLN 121 N -3.97 -1.94 -4.47 4.88 6.02 -1.04 -4.67 117.38 112.17 1fx5 n GLN 121 Ca -0.02 0.37 -0.21 0.00 -0.01 0.00 0.00 57.00 57.13 1fx5 n GLN 121 Cb 0.56 -4.07 -0.15 0.00 1.02 0.00 0.00 30.24 27.60 1fx5 n GLN 121 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1fx5 s THR 122 N -3.71 0.90 -0.11 5.09 2.01 -1.26 -4.04 115.64 114.53 1fx5 s THR 122 Ca 0.27 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1fx5 s THR 122 Cb -0.11 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1fx5 s THR 122 CO 0.89 0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.30 1fx5 s VAL 123 N 0.09 1.16 0.03 3.82 1.01 -1.00 -0.71 120.40 124.80 1fx5 s VAL 123 Ca -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1fx5 s VAL 123 Cb -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1fx5 s VAL 123 CO 0.01 0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.42 1fx5 s ALA 124 N 1.36 0.50 -0.32 5.51 0.00 -0.30 -1.67 121.76 126.84 1fx5 s ALA 124 Ca -0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 1fx5 s ALA 124 Cb -0.14 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1fx5 s ALA 124 CO -0.05 -0.02 0.12 0.08 0.00 0.00 0.00 175.76 175.89 1fx5 s VAL 125 N -1.23 4.18 -0.03 0.00 1.01 -0.25 -0.55 120.40 123.53 1fx5 s VAL 125 Ca -0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1fx5 s VAL 125 Cb -0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1fx5 s VAL 125 CO 0.00 -0.03 0.11 -1.83 0.00 0.00 0.00 175.10 173.35 1fx5 s GLU 126 N 1.52 3.22 -0.73 2.72 -1.05 0.42 -1.94 118.70 122.85 1fx5 s GLU 126 Ca 0.02 -0.38 0.04 0.00 -0.15 0.00 0.00 54.97 54.50 1fx5 s GLU 126 Cb -0.18 -2.97 0.18 0.00 -0.44 0.00 0.00 34.13 30.72 1fx5 s GLU 126 CO 0.04 0.68 0.53 -0.06 0.95 0.00 0.00 175.26 177.40 1fx5 s PHE 127 N -1.19 3.63 -0.42 4.83 0.40 -0.71 -0.81 117.98 123.70 1fx5 s PHE 127 Ca 0.22 -3.31 -0.26 0.00 -0.60 0.00 0.00 56.93 52.98 1fx5 s PHE 127 Cb -0.12 -2.77 0.02 0.00 0.51 0.00 0.00 43.02 40.66 1fx5 s PHE 127 CO 0.13 -0.56 0.96 0.34 0.70 0.00 0.00 175.22 176.79 1fx5 s ASP 128 N -1.33 6.61 0.00 1.36 3.68 -0.43 -2.02 116.67 124.54 1fx5 s ASP 128 Ca 0.25 0.39 0.29 0.00 2.13 0.00 0.00 52.55 55.61 1fx5 s ASP 128 Cb -0.04 -2.47 1.35 0.00 -1.45 0.00 0.00 42.92 40.30 1fx5 s ASP 128 CO -0.16 -1.00 1.93 0.35 0.13 0.00 0.00 175.17 176.42 1fx5 n THR 129 N 6.29 0.00 -3.72 1.71 -2.24 -0.92 -1.25 114.28 114.16 1fx5 n THR 129 Ca 0.08 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1fx5 n THR 129 Cb 0.48 -0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.37 1fx5 n THR 129 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1fx5 s ILE 130 N -2.46 -0.08 0.00 2.28 1.10 -1.26 -4.66 121.20 116.13 1fx5 s ILE 130 Ca 0.30 0.15 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 1fx5 s ILE 130 Cb 0.20 -0.43 0.00 0.00 0.15 0.00 0.00 42.46 42.39 1fx5 s ILE 130 CO 0.46 0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.96 1fx5 n GLY 131 N 4.36 4.41 3.79 1.50 0.00 -1.26 -4.74 105.19 113.24 1fx5 n GLY 131 Ca -0.23 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 1fx5 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fx5 s SER 132 N 0.26 5.47 0.50 1.61 1.04 -0.90 -1.29 113.70 120.40 1fx5 s SER 132 Ca 0.00 1.88 0.29 0.00 0.48 0.00 0.00 55.95 58.60 1fx5 s SER 132 Cb 0.00 -2.54 0.94 0.00 0.10 0.00 0.00 66.02 64.53 1fx5 s SER 132 CO 0.00 -1.38 1.83 -0.65 0.98 0.00 0.00 173.24 174.02 1fx5 h PRO 133 N 0.19 0.00 -0.82 4.02 0.11 -1.93 -3.41 132.00 130.15 1fx5 h PRO 133 Ca -0.47 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1fx5 h PRO 133 Cb 1.23 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1fx5 h PRO 133 CO 0.56 0.00 0.40 0.28 -0.21 0.00 0.00 178.00 179.03 1fx5 h VAL 134 N 0.00 0.71 -3.68 3.15 2.07 -1.89 -3.26 116.25 113.36 1fx5 h VAL 134 Ca -0.00 -0.20 -0.66 0.00 0.82 0.00 0.00 66.70 66.66 1fx5 h VAL 134 Cb 0.72 0.09 -0.40 0.00 -1.52 0.00 0.00 31.29 30.17 1fx5 h VAL 134 CO 0.00 0.11 -0.72 0.20 0.02 0.00 0.00 177.57 177.18 1fx5 s ASN 135 N -5.40 4.75 0.66 0.57 0.02 -0.41 -5.00 114.94 110.13 1fx5 s ASN 135 Ca -0.12 -2.18 0.42 0.00 -1.02 0.00 0.00 52.86 49.97 1fx5 s ASN 135 Cb 0.21 -1.62 2.32 0.00 0.02 0.00 0.00 41.25 42.18 1fx5 s ASN 135 CO 0.77 -0.38 2.33 2.19 0.02 0.00 0.00 177.10 182.04 1fx5 h PHE 136 N 7.59 0.00 -0.00 2.20 -0.00 -1.84 -2.36 116.94 122.52 1fx5 h PHE 136 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.93 1fx5 h PHE 136 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.97 1fx5 h PHE 136 CO 0.46 0.00 -0.22 -2.67 -0.00 0.00 0.00 178.31 175.88 1fx5 n TRP 137 N -3.14 0.00 -3.16 6.09 2.14 -1.26 -4.88 117.44 113.22 1fx5 n TRP 137 Ca -0.03 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.34 1fx5 n TRP 137 Cb 0.10 -0.26 0.01 0.00 -0.81 0.00 0.00 31.31 30.35 1fx5 n TRP 137 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1fx5 s ASP 138 N -2.74 5.80 0.87 -0.67 -0.00 -1.02 -4.80 116.67 114.10 1fx5 s ASP 138 Ca 0.20 -0.06 -0.12 0.00 -0.00 0.00 0.00 52.55 52.57 1fx5 s ASP 138 Cb 0.19 -1.19 0.11 0.00 -0.00 0.00 0.00 42.92 42.03 1fx5 s ASP 138 CO 0.56 -0.64 1.10 -2.16 -0.00 0.00 0.00 175.17 174.02 1fx5 s PRO 139 N -4.38 1.49 0.00 8.23 0.04 -1.26 -3.89 135.00 135.23 1fx5 s PRO 139 Ca 0.49 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1fx5 s PRO 139 Cb -0.10 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 1fx5 s PRO 139 CO 0.34 -2.06 2.42 0.41 0.04 0.00 0.00 177.00 178.15 1fx5 n GLY 140 N -1.46 2.42 3.61 0.56 0.00 -1.26 -2.11 105.19 106.94 1fx5 n GLY 140 Ca 0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 1fx5 n GLY 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fx5 s PHE 141 N 0.88 -0.09 0.73 1.61 -0.71 -1.26 -4.81 117.98 114.32 1fx5 s PHE 141 Ca 0.30 0.02 -0.16 0.00 -1.04 0.00 0.00 56.93 56.05 1fx5 s PHE 141 Cb 0.14 0.53 0.03 0.00 -1.21 0.00 0.00 43.02 42.50 1fx5 s PHE 141 CO 0.00 -0.22 1.14 -2.30 -1.34 0.00 0.00 175.22 172.50 1fx5 n PRO 142 N -0.25 0.59 -3.54 1.99 -0.02 -1.26 -4.20 135.00 128.31 1fx5 n PRO 142 Ca -0.03 0.27 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 1fx5 n PRO 142 Cb 0.60 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1fx5 n PRO 142 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1fx5 s HIS 143 N -1.78 -0.31 -0.16 6.00 -3.43 -0.38 -1.82 115.29 113.41 1fx5 s HIS 143 Ca 0.76 0.15 -0.03 0.00 -0.80 0.00 0.00 55.06 55.14 1fx5 s HIS 143 Cb -0.34 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 1fx5 s HIS 143 CO 0.47 -0.61 -0.07 0.96 -2.00 0.00 0.00 174.74 173.50 1fx5 s ILE 144 N -3.17 3.48 0.23 -5.38 -0.00 -0.45 -1.32 121.20 114.58 1fx5 s ILE 144 Ca 0.06 -0.50 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 1fx5 s ILE 144 Cb -0.01 -2.52 -0.04 0.00 -0.00 0.00 0.00 42.46 39.89 1fx5 s ILE 144 CO -0.07 0.49 0.12 -0.83 -0.00 0.00 0.00 174.94 174.64 1fx5 s GLY 145 N 0.64 1.58 -0.24 6.27 0.00 0.01 -1.28 107.32 114.30 1fx5 s GLY 145 Ca -0.04 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 42.86 1fx5 s GLY 145 CO 0.02 -1.48 0.00 -0.42 0.00 0.00 0.00 173.10 171.23 1fx5 s ILE 146 N -3.98 3.71 -0.14 0.90 1.01 -0.77 -0.44 121.20 121.49 1fx5 s ILE 146 Ca 0.39 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 1fx5 s ILE 146 Cb 0.07 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1fx5 s ILE 146 CO 0.13 0.36 -0.01 -1.81 0.00 0.00 0.00 174.94 173.61 1fx5 s ASP 147 N 1.52 5.04 -0.28 3.58 1.01 0.28 -1.98 116.67 125.84 1fx5 s ASP 147 Ca 0.06 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.30 1fx5 s ASP 147 Cb -0.15 -1.73 0.08 0.00 1.01 0.00 0.00 42.92 42.13 1fx5 s ASP 147 CO -0.01 0.22 0.02 -0.69 0.21 0.00 0.00 175.17 174.92 1fx5 s VAL 148 N 0.06 1.51 -1.55 -1.27 1.01 -1.26 -1.15 120.40 117.75 1fx5 s VAL 148 Ca 0.01 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1fx5 s VAL 148 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1fx5 s VAL 148 CO 0.02 -0.40 0.00 0.59 0.00 0.00 0.00 175.10 175.32 1fx5 n ASN 149 N 4.62 -4.50 -3.53 3.32 3.02 0.11 -4.92 115.26 113.39 1fx5 n ASN 149 Ca -0.05 0.26 -0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1fx5 n ASN 149 Cb 0.43 -3.94 -0.04 0.00 -0.61 0.00 0.00 39.78 35.62 1fx5 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fx5 n VAL 151 N 0.36 0.71 -3.23 0.00 3.14 -1.26 -4.64 118.33 113.40 1fx5 n VAL 151 Ca -0.12 -0.05 -0.39 0.00 -2.96 0.00 0.00 64.34 60.82 1fx5 n VAL 151 Cb 0.60 -0.86 -0.06 0.00 -1.06 0.00 0.00 33.84 32.45 1fx5 n VAL 151 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1fx5 s LYS 152 N -3.21 4.24 0.54 1.45 2.20 -1.26 -4.98 119.74 118.72 1fx5 s LYS 152 Ca 0.08 0.47 -0.17 0.00 -0.36 0.00 0.00 55.97 55.99 1fx5 s LYS 152 Cb 0.11 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1fx5 s LYS 152 CO 0.50 -0.08 1.03 -1.12 -0.36 0.00 0.00 175.35 175.32 1fx5 s SER 153 N 1.02 6.17 0.13 1.43 0.01 -1.26 -4.62 113.70 116.58 1fx5 s SER 153 Ca 0.26 1.78 0.18 0.00 1.31 0.00 0.00 55.95 59.48 1fx5 s SER 153 Cb -0.15 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 1fx5 s SER 153 CO 0.10 -0.90 0.96 0.16 0.41 0.00 0.00 173.24 173.98 1fx5 h ILE 154 N 0.90 0.40 -2.81 1.44 3.07 -1.80 -3.47 117.51 115.25 1fx5 h ILE 154 Ca -0.48 -1.75 -0.12 0.00 1.55 0.00 0.00 64.86 64.07 1fx5 h ILE 154 Cb 1.21 1.94 -0.22 0.00 -0.27 0.00 0.00 36.82 39.48 1fx5 h ILE 154 CO 0.59 0.23 -0.23 0.21 -1.05 0.00 0.00 178.15 177.90 1fx5 s ASN 155 N -5.76 -0.36 -0.00 2.16 2.47 -1.26 -5.06 114.94 107.13 1fx5 s ASN 155 Ca -0.01 0.56 -0.20 0.00 0.42 0.00 0.00 52.86 53.62 1fx5 s ASN 155 Cb 0.09 0.63 0.04 0.00 -1.45 0.00 0.00 41.25 40.56 1fx5 s ASN 155 CO 0.80 -0.27 0.44 0.00 -3.72 0.00 0.00 177.10 174.34 1fx5 s ALA 156 N -0.40 -1.12 0.03 1.71 0.00 -1.26 -1.85 121.76 118.87 1fx5 s ALA 156 Ca -0.05 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1fx5 s ALA 156 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1fx5 s ALA 156 CO 0.02 -0.35 -0.15 -1.21 0.00 0.00 0.00 175.76 174.07 1fx5 s GLU 157 N -1.66 1.01 0.33 0.00 0.41 -0.41 -4.97 118.70 113.41 1fx5 s GLU 157 Ca -0.10 -0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 53.43 1fx5 s GLU 157 Cb -0.02 -1.02 -0.11 0.00 -1.78 0.00 0.00 34.13 31.19 1fx5 s GLU 157 CO 0.04 0.26 1.57 0.50 -0.49 0.00 0.00 175.26 177.13 1fx5 s ARG 158 N -1.02 4.11 -0.07 1.61 3.52 -1.26 -1.34 118.95 124.49 1fx5 s ARG 158 Ca 0.03 2.60 -0.00 0.00 -0.13 0.00 0.00 55.73 58.22 1fx5 s ARG 158 Cb -0.08 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 1fx5 s ARG 158 CO 0.01 -0.61 -0.04 -0.46 -0.81 0.00 0.00 175.30 173.39 1fx5 s TRP 159 N -0.41 0.97 -0.89 5.12 -0.00 -0.75 -4.82 118.94 118.16 1fx5 s TRP 159 Ca 0.60 -0.36 -0.17 0.00 -0.00 0.00 0.00 56.10 56.17 1fx5 s TRP 159 Cb -0.48 -0.90 0.17 0.00 -0.00 0.00 0.00 33.47 32.26 1fx5 s TRP 159 CO 0.54 -0.34 0.98 -0.80 -0.00 0.00 0.00 176.95 177.33 1fx5 s ASN 160 N 1.52 6.70 0.51 5.86 0.02 -1.26 -4.35 114.94 123.94 1fx5 s ASN 160 Ca -0.01 -2.34 -0.22 0.00 -1.02 0.00 0.00 52.86 49.27 1fx5 s ASN 160 Cb -0.13 -2.32 -0.07 0.00 0.02 0.00 0.00 41.25 38.75 1fx5 s ASN 160 CO -0.04 -0.85 1.17 2.29 0.02 0.00 0.00 177.10 179.70 1fx5 n LYS 161 N 5.42 1.49 -4.44 -0.60 2.85 -1.26 -5.05 118.16 116.57 1fx5 n LYS 161 Ca 0.20 0.54 -0.21 0.00 -1.05 0.00 0.00 58.31 57.80 1fx5 n LYS 161 Cb 0.48 -2.33 -0.14 0.00 -0.65 0.00 0.00 35.03 32.40 1fx5 n LYS 161 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1fx5 s ARG 162 N -2.52 0.99 0.29 -1.58 0.52 -1.26 -5.06 118.95 110.32 1fx5 s ARG 162 Ca 0.68 -0.67 0.11 0.00 -0.52 0.00 0.00 55.73 55.33 1fx5 s ARG 162 Cb -0.46 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1fx5 s ARG 162 CO 0.52 0.25 -0.13 0.71 0.02 0.00 0.00 175.30 176.67 1fx5 s TYR 163 N -0.68 2.41 0.00 -0.53 1.51 -1.26 -4.73 117.35 114.06 1fx5 s TYR 163 Ca 0.03 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1fx5 s TYR 163 Cb -0.07 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1fx5 s TYR 163 CO 0.01 0.67 0.00 0.41 -1.11 0.00 0.00 175.55 175.53 1fx5 n GLY 164 N -0.72 2.44 0.25 0.71 0.00 0.62 -4.52 105.19 103.97 1fx5 n GLY 164 Ca -0.05 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.27 1fx5 n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fx5 h LEU 165 N 0.00 0.00 -0.02 0.99 6.46 -1.98 -1.15 115.31 119.61 1fx5 h LEU 165 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1fx5 h LEU 165 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1fx5 h LEU 165 CO 0.00 0.16 0.00 -0.46 -0.62 0.00 0.00 178.44 177.52 1fx5 n ASN 166 N -3.79 0.04 -2.46 1.25 6.94 -1.26 -3.63 115.26 112.34 1fx5 n ASN 166 Ca -0.02 0.51 -0.30 0.00 -0.02 0.00 0.00 54.58 54.75 1fx5 n ASN 166 Cb 0.26 -0.52 0.02 0.00 -2.36 0.00 0.00 39.78 37.19 1fx5 n ASN 166 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1fx5 n ASN 167 N -1.54 5.75 -4.77 0.53 4.13 -0.44 -4.94 115.26 113.99 1fx5 n ASN 167 Ca 0.05 -3.76 -0.40 0.00 1.68 0.00 0.00 54.58 52.15 1fx5 n ASN 167 Cb 0.27 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 1fx5 n ASN 167 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fx5 s VAL 168 N -5.14 2.34 -0.03 2.41 1.01 -1.24 -4.84 120.40 114.90 1fx5 s VAL 168 Ca 0.52 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.87 1fx5 s VAL 168 Cb 0.42 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1fx5 s VAL 168 CO -0.17 0.06 -0.19 0.00 0.00 0.00 0.00 175.10 174.80 1fx5 s ALA 169 N -1.20 2.48 -0.18 5.51 0.00 -0.86 -4.26 121.76 123.26 1fx5 s ALA 169 Ca 0.56 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 1fx5 s ALA 169 Cb -0.42 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1fx5 s ALA 169 CO 0.55 0.55 0.00 -0.80 0.00 0.00 0.00 175.76 176.06 1fx5 s ASN 170 N -0.76 5.04 0.02 0.00 0.02 -0.18 -1.95 114.94 117.13 1fx5 s ASN 170 Ca 0.11 -0.10 0.06 0.00 -1.02 0.00 0.00 52.86 51.92 1fx5 s ASN 170 Cb -0.10 -1.85 -0.03 0.00 0.02 0.00 0.00 41.25 39.29 1fx5 s ASN 170 CO 0.00 0.14 -0.18 -0.69 0.02 0.00 0.00 177.10 176.39 1fx5 s VAL 171 N 0.57 2.80 -0.04 1.60 1.01 0.06 -1.00 120.40 125.39 1fx5 s VAL 171 Ca -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1fx5 s VAL 171 Cb -0.14 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1fx5 s VAL 171 CO 0.02 0.41 0.02 -0.70 0.00 0.00 0.00 175.10 174.85 1fx5 s GLU 172 N -1.22 0.20 -0.08 2.72 2.12 -0.62 -2.29 118.70 119.52 1fx5 s GLU 172 Ca 0.14 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.69 1fx5 s GLU 172 Cb -0.10 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.74 1fx5 s GLU 172 CO 0.04 -0.23 -0.20 0.42 -0.54 0.00 0.00 175.26 174.75 1fx5 s ILE 173 N 1.56 1.71 -0.02 -3.70 1.01 -0.37 -1.17 121.20 120.22 1fx5 s ILE 173 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1fx5 s ILE 173 Cb -0.13 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1fx5 s ILE 173 CO -0.03 0.48 -0.09 -0.63 0.00 0.00 0.00 174.94 174.67 1fx5 s ILE 174 N 0.35 0.75 -0.20 2.92 1.01 -0.26 -1.21 121.20 124.55 1fx5 s ILE 174 Ca -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1fx5 s ILE 174 Cb -0.16 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.69 1fx5 s ILE 174 CO 0.06 0.23 -0.13 -0.47 0.00 0.00 0.00 174.94 174.63 1fx5 s TYR 175 N 0.09 2.63 -0.40 3.97 5.04 0.02 -1.86 117.35 126.84 1fx5 s TYR 175 Ca -0.01 -1.71 -0.12 0.00 -2.44 0.00 0.00 57.07 52.79 1fx5 s TYR 175 Cb -0.07 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.53 1fx5 s TYR 175 CO 0.00 -0.78 0.26 -2.00 -1.34 0.00 0.00 175.55 171.69 1fx5 s GLU 176 N 1.33 2.82 0.27 4.97 2.12 -0.79 -1.69 118.70 127.73 1fx5 s GLU 176 Ca -0.01 -1.18 -0.00 0.00 0.36 0.00 0.00 54.97 54.14 1fx5 s GLU 176 Cb -0.16 -3.84 0.49 0.00 0.26 0.00 0.00 34.13 30.88 1fx5 s GLU 176 CO -0.09 -0.80 1.86 0.00 -0.54 0.00 0.00 175.26 175.68 1fx5 h ALA 177 N 8.51 1.46 -0.71 6.30 0.00 -1.88 -0.40 119.26 132.55 1fx5 h ALA 177 Ca -0.26 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1fx5 h ALA 177 Cb 1.10 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1fx5 h ALA 177 CO 0.72 0.33 0.44 0.66 0.00 0.00 0.00 179.25 181.40 1fx5 h SER 178 N 1.09 0.71 -0.02 0.00 4.64 -1.94 -2.87 113.55 115.15 1fx5 h SER 178 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1fx5 h SER 178 Cb 0.34 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1fx5 h SER 178 CO -0.22 0.49 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.49 1fx5 n SER 179 N -4.67 2.29 -2.05 4.97 3.41 -1.16 -4.97 113.62 111.44 1fx5 n SER 179 Ca 0.08 -1.65 -0.18 0.00 -0.26 0.00 0.00 58.87 56.86 1fx5 n SER 179 Cb 0.10 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1fx5 n SER 179 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fx5 n LYS 180 N 0.57 -1.46 -3.26 4.33 5.02 -0.17 -4.92 118.16 118.27 1fx5 n LYS 180 Ca 0.10 0.92 -0.38 0.00 -2.02 0.00 0.00 58.31 56.92 1fx5 n LYS 180 Cb 0.46 -5.42 -0.06 0.00 -0.02 0.00 0.00 35.03 29.99 1fx5 n LYS 180 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fx5 s THR 181 N -2.90 5.15 -0.26 -0.18 2.01 -1.13 -1.84 115.64 116.49 1fx5 s THR 181 Ca 0.00 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 1fx5 s THR 181 Cb 0.00 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1fx5 s THR 181 CO 0.00 0.29 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.95 1fx5 s LEU 182 N 0.79 3.38 -0.03 4.42 2.96 0.81 -1.89 118.68 129.14 1fx5 s LEU 182 Ca 0.28 -1.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.21 1fx5 s LEU 182 Cb -0.16 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1fx5 s LEU 182 CO 0.11 -0.17 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.85 1fx5 s THR 183 N 1.27 1.87 -0.04 3.68 2.01 -0.78 -1.18 115.64 122.47 1fx5 s THR 183 Ca -0.02 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1fx5 s THR 183 Cb -0.18 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1fx5 s THR 183 CO -0.04 0.53 -0.08 0.00 -0.69 0.00 0.00 174.62 174.34 1fx5 s ALA 184 N -0.46 0.88 0.02 7.40 0.00 -0.38 -1.11 121.76 128.11 1fx5 s ALA 184 Ca 0.06 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1fx5 s ALA 184 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1fx5 s ALA 184 CO 0.00 0.08 -0.09 -1.54 0.00 0.00 0.00 175.76 174.21 1fx5 s SER 185 N 0.59 1.00 -0.04 0.00 1.04 -0.31 -1.29 113.70 114.69 1fx5 s SER 185 Ca -0.10 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.08 1fx5 s SER 185 Cb -0.13 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 1fx5 s SER 185 CO 0.01 -0.01 -0.23 -0.22 0.98 0.00 0.00 173.24 173.77 1fx5 s LEU 186 N -0.77 2.04 -0.03 2.42 0.20 -0.01 -1.59 118.68 120.94 1fx5 s LEU 186 Ca -0.01 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.36 1fx5 s LEU 186 Cb -0.06 -1.27 0.01 0.00 -0.43 0.00 0.00 46.19 44.45 1fx5 s LEU 186 CO 0.00 0.24 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.38 1fx5 s THR 187 N -0.25 0.42 -0.47 3.68 2.01 -0.17 -1.33 115.64 119.53 1fx5 s THR 187 Ca 0.00 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 1fx5 s THR 187 Cb -0.12 -0.43 0.07 0.00 0.01 0.00 0.00 72.50 72.03 1fx5 s THR 187 CO 0.02 0.17 0.39 -0.31 -0.69 0.00 0.00 174.62 174.20 1fx5 s TYR 188 N 0.53 3.25 0.64 4.92 2.02 -0.19 -1.01 117.35 127.51 1fx5 s TYR 188 Ca -0.06 -0.92 0.36 0.00 -0.37 0.00 0.00 57.07 56.07 1fx5 s TYR 188 Cb -0.10 -3.15 1.98 0.00 -0.40 0.00 0.00 41.96 40.29 1fx5 s TYR 188 CO -0.00 -0.79 2.17 -1.00 -1.57 0.00 0.00 175.55 174.36 1fx5 h PRO 189 N 8.75 0.00 -0.91 -1.71 0.13 -1.88 0.69 132.00 137.08 1fx5 h PRO 189 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1fx5 h PRO 189 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1fx5 h PRO 189 CO 0.87 0.00 0.54 0.66 -0.23 0.00 0.00 178.00 179.84 1fx5 h SER 190 N 0.00 1.10 0.00 1.44 4.64 -1.92 -3.31 113.55 115.50 1fx5 h SER 190 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1fx5 h SER 190 Cb 0.31 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1fx5 h SER 190 CO -0.00 0.85 0.00 -0.90 -0.87 0.00 0.00 176.83 175.91 1fx5 n ASP 191 N -4.37 0.69 -0.54 4.97 3.85 -1.14 -5.02 116.55 114.98 1fx5 n ASP 191 Ca 0.10 -1.26 -0.07 0.00 -0.71 0.00 0.00 54.79 52.85 1fx5 n ASP 191 Cb 0.07 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 1fx5 n ASP 191 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 1fx5 n GLN 192 N -0.13 -0.80 -2.03 0.11 -0.06 0.22 -4.97 117.38 109.72 1fx5 n GLN 192 Ca 0.00 0.67 -0.42 0.00 -2.00 0.00 0.00 57.00 55.25 1fx5 n GLN 192 Cb 0.30 -4.54 -0.03 0.00 -4.06 0.00 0.00 30.24 21.91 1fx5 n GLN 192 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1fx5 s THR 193 N -2.11 3.21 0.02 1.69 2.01 -1.18 -4.81 115.64 114.47 1fx5 s THR 193 Ca 0.00 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1fx5 s THR 193 Cb 0.00 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1fx5 s THR 193 CO 0.00 0.01 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.31 1fx5 s SER 194 N 1.99 0.96 0.02 3.53 0.15 -1.26 -1.02 113.70 118.06 1fx5 s SER 194 Ca 0.70 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 1fx5 s SER 194 Cb -0.38 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1fx5 s SER 194 CO 0.30 -0.02 -0.01 0.27 1.20 0.00 0.00 173.24 174.98 1fx5 s ILE 195 N -0.69 0.11 0.01 6.45 -4.36 -0.45 -4.99 121.20 117.29 1fx5 s ILE 195 Ca -0.02 -0.95 -0.11 0.00 -0.26 0.00 0.00 60.65 59.32 1fx5 s ILE 195 Cb -0.06 -0.36 0.01 0.00 1.25 0.00 0.00 42.46 43.30 1fx5 s ILE 195 CO 0.00 -0.52 0.22 -0.94 0.24 0.00 0.00 174.94 173.94 1fx5 s SER 196 N -1.55 -0.05 0.00 4.36 1.04 -1.26 -0.83 113.70 115.42 1fx5 s SER 196 Ca -0.14 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1fx5 s SER 196 Cb -0.09 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1fx5 s SER 196 CO -0.01 -0.46 -0.09 0.54 0.98 0.00 0.00 173.24 174.19 1fx5 s VAL 197 N -1.77 0.74 0.06 5.02 0.11 -0.41 -4.89 120.40 119.27 1fx5 s VAL 197 Ca -0.11 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1fx5 s VAL 197 Cb -0.05 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1fx5 s VAL 197 CO 0.01 0.14 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.97 1fx5 s THR 198 N -0.36 0.45 0.11 5.04 2.01 -1.26 -1.25 115.64 120.38 1fx5 s THR 198 Ca 0.02 -1.48 -0.22 0.00 0.31 0.00 0.00 61.69 60.32 1fx5 s THR 198 Cb -0.04 -1.09 0.06 0.00 0.01 0.00 0.00 72.50 71.43 1fx5 s THR 198 CO -0.00 -0.69 0.54 -0.55 -0.69 0.00 0.00 174.62 173.23 1fx5 s SER 199 N -2.32 -0.47 -0.27 3.53 0.15 -0.32 -4.96 113.70 109.05 1fx5 s SER 199 Ca -0.00 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 1fx5 s SER 199 Cb -0.01 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1fx5 s SER 199 CO -0.04 -0.87 -0.05 -0.63 1.20 0.00 0.00 173.24 172.86 1fx5 s ILE 200 N -3.32 2.76 -0.04 6.45 1.01 -1.26 -0.13 121.20 126.66 1fx5 s ILE 200 Ca -0.01 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.33 1fx5 s ILE 200 Cb -0.00 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.98 1fx5 s ILE 200 CO -0.09 0.04 0.09 0.54 0.00 0.00 0.00 174.94 175.52 1fx5 s VAL 201 N 1.25 -0.04 -0.72 2.92 0.11 -0.77 -5.02 120.40 118.13 1fx5 s VAL 201 Ca -0.04 0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.89 1fx5 s VAL 201 Cb -0.18 -0.15 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1fx5 s VAL 201 CO -0.03 0.06 1.20 -0.62 -3.33 0.00 0.00 175.10 172.37 1fx5 s ASP 202 N 0.81 6.17 0.54 3.54 3.68 -1.26 -4.78 116.67 125.36 1fx5 s ASP 202 Ca -0.06 -0.60 0.21 0.00 2.13 0.00 0.00 52.55 54.22 1fx5 s ASP 202 Cb -0.09 -2.52 1.39 0.00 -1.45 0.00 0.00 42.92 40.25 1fx5 s ASP 202 CO -0.03 -1.73 2.12 -0.07 0.13 0.00 0.00 175.17 175.59 1fx5 h LEU 203 N 12.57 0.00 -1.88 -1.34 4.07 -1.98 -1.54 115.31 125.21 1fx5 h LEU 203 Ca -0.28 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 1fx5 h LEU 203 Cb 1.06 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 1fx5 h LEU 203 CO 1.25 0.00 -0.11 0.11 -1.08 0.00 0.00 178.44 178.62 1fx5 h LYS 204 N 0.00 0.00 0.00 1.13 1.57 -1.91 -1.06 116.57 116.30 1fx5 h LYS 204 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1fx5 h LYS 204 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1fx5 h LYS 204 CO -0.00 0.11 -0.60 0.39 -0.57 0.00 0.00 179.45 178.78 1fx5 n GLU 205 N -3.52 0.01 -0.03 3.15 1.02 -0.58 -4.57 120.64 116.11 1fx5 n GLU 205 Ca -0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1fx5 n GLU 205 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1fx5 n GLU 205 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1fx5 n ILE 206 N -1.51 0.34 -4.12 -3.67 5.41 -0.89 -5.08 119.36 109.83 1fx5 n ILE 206 Ca 0.05 -0.16 -0.25 0.00 1.00 0.00 0.00 62.75 63.39 1fx5 n ILE 206 Cb 0.34 -0.78 -0.06 0.00 -0.71 0.00 0.00 39.64 38.44 1fx5 n ILE 206 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1fx5 s LEU 207 N -4.97 3.70 0.95 1.39 1.43 -0.45 -4.50 118.68 116.23 1fx5 s LEU 207 Ca -0.06 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 1fx5 s LEU 207 Cb 0.02 -2.29 0.16 0.00 0.03 0.00 0.00 46.19 44.11 1fx5 s LEU 207 CO 0.16 0.04 1.16 -2.16 0.23 0.00 0.00 176.35 175.78 1fx5 s PRO 208 N -3.31 0.83 0.41 1.29 0.04 -1.26 -4.77 135.00 128.23 1fx5 s PRO 208 Ca 0.31 0.13 0.09 0.00 0.04 0.00 0.00 61.00 61.57 1fx5 s PRO 208 Cb -0.09 -1.82 0.88 0.00 0.04 0.00 0.00 34.50 33.51 1fx5 s PRO 208 CO 0.23 -2.38 2.02 0.93 0.04 0.00 0.00 177.00 177.84 1fx5 h GLU 209 N -1.62 0.38 -5.24 4.56 5.08 -1.96 -3.42 114.58 112.36 1fx5 h GLU 209 Ca -0.49 -0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 57.16 1fx5 h GLU 209 Cb 1.31 -0.07 -0.32 0.00 0.50 0.00 0.00 28.75 30.17 1fx5 h GLU 209 CO 0.55 0.33 -0.84 -1.58 -1.00 0.00 0.00 179.01 176.47 1fx5 s TRP 210 N -5.18 2.70 0.15 4.33 0.52 -1.26 -0.58 118.94 119.62 1fx5 s TRP 210 Ca -0.07 -1.10 0.03 0.00 0.02 0.00 0.00 56.10 54.98 1fx5 s TRP 210 Cb 0.17 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1fx5 s TRP 210 CO 0.73 -0.48 -0.05 0.14 0.02 0.00 0.00 176.95 177.30 1fx5 s VAL 211 N 0.66 0.88 0.14 4.03 -7.23 -0.37 -4.43 120.40 114.08 1fx5 s VAL 211 Ca -0.09 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1fx5 s VAL 211 Cb -0.16 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1fx5 s VAL 211 CO 0.02 -0.67 0.24 -0.94 -0.31 0.00 0.00 175.10 173.44 1fx5 s SER 212 N -3.15 6.14 0.02 4.85 1.04 -0.54 -0.16 113.70 121.90 1fx5 s SER 212 Ca 0.18 0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.80 1fx5 s SER 212 Cb 0.05 -1.80 -0.02 0.00 0.10 0.00 0.00 66.02 64.34 1fx5 s SER 212 CO 0.01 0.07 -0.24 0.68 0.98 0.00 0.00 173.24 174.73 1fx5 s VAL 213 N -1.72 1.94 0.00 5.02 -7.23 -1.26 -3.03 120.40 114.12 1fx5 s VAL 213 Ca 0.34 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1fx5 s VAL 213 Cb -0.11 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1fx5 s VAL 213 CO 0.27 0.41 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 1fx5 n GLY 214 N 2.11 0.85 3.25 2.32 0.00 -1.10 -2.05 105.19 110.57 1fx5 n GLY 214 Ca -0.16 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1fx5 n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fx5 s PHE 215 N -2.22 1.26 -0.00 1.61 0.40 -0.01 -1.76 117.98 117.26 1fx5 s PHE 215 Ca 0.00 -0.97 -0.05 0.00 -0.60 0.00 0.00 56.93 55.31 1fx5 s PHE 215 Cb 0.00 -0.71 -0.00 0.00 0.51 0.00 0.00 43.02 42.81 1fx5 s PHE 215 CO 0.00 -0.14 0.10 -1.54 0.70 0.00 0.00 175.22 174.33 1fx5 s SER 216 N -3.19 0.05 -0.02 1.36 1.04 -0.94 -1.32 113.70 110.68 1fx5 s SER 216 Ca 0.23 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.39 1fx5 s SER 216 Cb 0.06 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1fx5 s SER 216 CO 0.04 -0.30 0.16 -0.83 0.98 0.00 0.00 173.24 173.29 1fx5 s GLY 217 N -1.17 -0.02 0.21 7.32 0.00 -0.80 -0.97 107.32 111.88 1fx5 s GLY 217 Ca -0.13 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.50 1fx5 s GLY 217 CO 0.01 -0.02 0.60 -1.35 0.00 0.00 0.00 173.10 172.34 1fx5 s SER 218 N -0.89 -0.35 0.36 1.64 1.04 -1.10 -1.21 113.70 113.19 1fx5 s SER 218 Ca -0.10 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 1fx5 s SER 218 Cb -0.05 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1fx5 s SER 218 CO 0.01 -1.11 0.63 0.28 0.98 0.00 0.00 173.24 174.04 1fx5 s THR 219 N -3.85 0.00 0.10 2.02 -1.32 -0.38 -1.12 115.64 111.09 1fx5 s THR 219 Ca 0.07 -1.30 0.04 0.00 -1.21 0.00 0.00 61.69 59.29 1fx5 s THR 219 Cb -0.02 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 1fx5 s THR 219 CO -0.03 0.00 -0.10 -0.47 -2.21 0.00 0.00 174.62 171.81 1fx5 s TYR 220 N -2.75 1.07 0.35 9.09 6.14 -1.26 -2.25 117.35 127.74 1fx5 s TYR 220 Ca 0.23 -0.67 -0.28 0.00 0.64 0.00 0.00 57.07 56.98 1fx5 s TYR 220 Cb -0.03 -0.58 -0.11 0.00 0.42 0.00 0.00 41.96 41.66 1fx5 s TYR 220 CO 0.16 -0.00 1.42 0.96 0.64 0.00 0.00 175.55 178.72 1fx5 s ILE 221 N -2.54 2.32 0.00 3.14 -5.25 -0.66 -2.59 121.20 115.62 1fx5 s ILE 221 Ca 0.06 0.32 0.00 0.00 -0.99 0.00 0.00 60.65 60.05 1fx5 s ILE 221 Cb -0.02 -3.21 0.00 0.00 2.95 0.00 0.00 42.46 42.18 1fx5 s ILE 221 CO -0.00 0.08 0.00 0.61 -1.79 0.00 0.00 174.94 173.83 1fx5 n GLY 222 N 0.66 2.07 2.36 6.27 0.00 -1.26 -4.79 105.19 110.50 1fx5 n GLY 222 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fx5 n GLY 222 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fx5 n ARG 223 N -2.00 1.14 -1.98 1.61 1.85 -1.07 -4.98 116.66 111.23 1fx5 n ARG 223 Ca 0.00 -2.39 -0.39 0.00 -1.00 0.00 0.00 57.85 54.06 1fx5 n ARG 223 Cb 0.00 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 1fx5 n ARG 223 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1fx5 s GLN 224 N -1.72 3.86 -0.07 2.89 -0.21 -1.10 -1.71 119.66 121.61 1fx5 s GLN 224 Ca 0.21 2.22 -0.21 0.00 0.02 0.00 0.00 55.36 57.60 1fx5 s GLN 224 Cb 0.33 -2.70 0.04 0.00 1.00 0.00 0.00 33.01 31.68 1fx5 s GLN 224 CO -0.08 -0.60 0.48 0.00 -2.12 0.00 0.00 175.29 172.96 1fx5 s ALA 225 N -1.26 -1.21 -0.01 6.09 0.00 -1.25 -4.32 121.76 119.80 1fx5 s ALA 225 Ca 0.59 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 53.45 1fx5 s ALA 225 Cb -0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1fx5 s ALA 225 CO 0.50 -0.29 0.07 -0.08 0.00 0.00 0.00 175.76 175.96 1fx5 s THR 226 N -0.91 4.63 -0.15 0.00 -1.32 -0.55 -4.73 115.64 112.62 1fx5 s THR 226 Ca -0.10 -0.43 0.02 0.00 -1.21 0.00 0.00 61.69 59.97 1fx5 s THR 226 Cb -0.03 -3.11 0.01 0.00 -1.51 0.00 0.00 72.50 67.86 1fx5 s THR 226 CO 0.05 0.36 -0.20 -1.00 -2.21 0.00 0.00 174.62 171.63 1fx5 s HIS 227 N -1.17 2.72 -0.03 9.09 3.76 -1.26 -2.04 115.29 126.35 1fx5 s HIS 227 Ca 0.22 -1.35 0.05 0.00 -0.15 0.00 0.00 55.06 53.83 1fx5 s HIS 227 Cb -0.12 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1fx5 s HIS 227 CO 0.13 -0.63 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.00 1fx5 s GLU 228 N 0.93 1.70 -0.15 1.40 2.02 -0.25 -1.82 118.70 122.53 1fx5 s GLU 228 Ca -0.04 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 1fx5 s GLU 228 Cb -0.15 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1fx5 s GLU 228 CO -0.04 0.32 0.02 0.08 0.02 0.00 0.00 175.26 175.66 1fx5 s VAL 229 N -0.18 4.45 -0.10 2.63 1.01 -0.45 -1.29 120.40 126.46 1fx5 s VAL 229 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1fx5 s VAL 229 Cb -0.10 -2.95 -0.25 0.00 0.00 0.00 0.00 36.38 33.08 1fx5 s VAL 229 CO 0.01 0.51 0.42 0.18 0.00 0.00 0.00 175.10 176.22 1fx5 n LEU 230 N 3.11 2.03 -3.91 3.92 4.77 -0.01 -1.77 117.00 125.15 1fx5 n LEU 230 Ca -0.17 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1fx5 n LEU 230 Cb 0.53 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1fx5 n LEU 230 CO 0.33 0.70 0.38 0.54 -1.33 0.00 0.00 177.39 178.01 1fx5 s ASN 231 N -6.68 0.07 -0.28 -1.43 2.20 -1.26 -4.21 114.94 103.36 1fx5 s ASN 231 Ca -0.17 -1.02 -0.19 0.00 -0.94 0.00 0.00 52.86 50.54 1fx5 s ASN 231 Cb 0.07 0.74 0.10 0.00 -2.00 0.00 0.00 41.25 40.16 1fx5 s ASN 231 CO 0.78 -1.43 0.81 0.86 -2.94 0.00 0.00 177.10 175.18 1fx5 s TRP 232 N -3.20 -0.83 -0.02 1.54 -0.00 -0.83 -3.72 118.94 111.88 1fx5 s TRP 232 Ca 0.18 1.74 0.04 0.00 -0.00 0.00 0.00 56.10 58.06 1fx5 s TRP 232 Cb -0.04 0.47 -0.01 0.00 -0.00 0.00 0.00 33.47 33.89 1fx5 s TRP 232 CO 0.11 -0.41 -0.14 -0.47 -0.00 0.00 0.00 176.95 176.05 1fx5 s TYR 233 N 1.16 1.34 -0.11 5.86 5.04 -0.23 -0.68 117.35 129.72 1fx5 s TYR 233 Ca -0.06 -0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 54.16 1fx5 s TYR 233 Cb -0.05 -0.89 0.03 0.00 0.35 0.00 0.00 41.96 41.40 1fx5 s TYR 233 CO -0.13 -0.08 0.29 0.12 -1.34 0.00 0.00 175.55 174.41 1fx5 s PHE 234 N -0.11 -0.33 -0.16 4.97 5.36 -0.85 -1.37 117.98 125.48 1fx5 s PHE 234 Ca 0.01 0.80 -0.10 0.00 -0.96 0.00 0.00 56.93 56.68 1fx5 s PHE 234 Cb -0.08 0.11 0.06 0.00 -0.34 0.00 0.00 43.02 42.77 1fx5 s PHE 234 CO 0.00 -0.16 0.40 -0.08 -1.46 0.00 0.00 175.22 173.92 1fx5 s THR 235 N 0.25 -0.02 0.07 0.12 -1.32 -0.72 -1.67 115.64 112.35 1fx5 s THR 235 Ca -0.01 0.08 0.05 0.00 -1.21 0.00 0.00 61.69 60.60 1fx5 s THR 235 Cb -0.03 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.34 1fx5 s THR 235 CO -0.00 0.03 -0.14 -0.94 -2.21 0.00 0.00 174.62 171.36 1fx5 s SER 236 N 1.24 1.59 0.02 8.08 1.04 -0.28 -1.43 113.70 123.96 1fx5 s SER 236 Ca -0.08 -0.61 -0.28 0.00 0.48 0.00 0.00 55.95 55.46 1fx5 s SER 236 Cb -0.08 -0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1fx5 s SER 236 CO -0.11 -0.09 0.64 0.28 0.98 0.00 0.00 173.24 174.95 1fx5 s THR 237 N -1.28 0.00 -0.06 2.02 -1.32 -0.48 -2.26 115.64 112.25 1fx5 s THR 237 Ca -0.03 -0.02 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 1fx5 s THR 237 Cb -0.10 -0.99 -0.30 0.00 -1.51 0.00 0.00 72.50 69.60 1fx5 s THR 237 CO 0.02 -0.01 0.50 0.49 -2.21 0.00 0.00 174.62 173.41 1fx5 n PHE 238 N 0.51 0.11 -2.80 9.09 3.72 -1.23 -0.38 117.46 126.47 1fx5 n PHE 238 Ca -0.18 0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 1fx5 n PHE 238 Cb 0.60 -0.59 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 1fx5 n PHE 238 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1fx5 n ILE 239 N -2.35 5.48 -2.42 4.37 0.13 -1.26 -4.89 119.36 118.43 1fx5 n ILE 239 Ca -0.06 -5.76 -0.40 0.00 -1.10 0.00 0.00 62.75 55.43 1fx5 n ILE 239 Cb 0.62 -1.95 -0.04 0.00 -0.84 0.00 0.00 39.64 37.43 1fx5 n ILE 239 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1fx5 s ASN 240 N -1.36 7.18 0.00 9.51 4.22 -1.26 -5.13 114.94 128.10 1fx5 s ASN 240 Ca 0.35 2.31 0.32 0.00 -2.14 0.00 0.00 52.86 53.70 1fx5 s ASN 240 Cb 0.10 -2.63 1.91 0.00 1.28 0.00 0.00 41.25 41.91 1fx5 s ASN 240 CO 0.03 -0.22 2.23 0.41 -2.04 0.00 0.00 177.10 177.50