#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyx s GLU 2 N 0.00 3.32 0.00 0.00 2.12 -1.26 -0.61 118.70 122.27 3fyx s GLU 2 Ca 0.00 1.27 0.09 0.00 0.36 0.00 0.00 54.97 56.69 3fyx s GLU 2 Cb 0.00 -4.18 0.07 0.00 0.26 0.00 0.00 34.13 30.28 3fyx s GLU 2 CO 0.00 -1.87 0.77 0.44 -0.54 0.00 0.00 175.26 174.06 3fyx n ILE 3 N 7.34 0.00 -3.73 -3.70 -5.35 -0.95 -4.95 119.36 108.02 3fyx n ILE 3 Ca 0.21 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 62.07 3fyx n ILE 3 Cb 0.47 1.18 -0.12 0.00 -1.74 0.00 0.00 39.64 39.43 3fyx n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3fyx s TYR 4 N -0.71 -0.44 -0.32 4.28 5.04 -1.07 -5.02 117.35 119.11 3fyx s TYR 4 Ca 0.10 1.00 0.06 0.00 -2.44 0.00 0.00 57.07 55.79 3fyx s TYR 4 Cb 0.07 0.15 0.19 0.00 0.35 0.00 0.00 41.96 42.72 3fyx s TYR 4 CO 0.11 -0.25 0.57 1.21 -1.34 0.00 0.00 175.55 175.84 3fyx s ASN 5 N 0.95 -1.29 -0.01 4.32 3.84 -1.26 -1.09 114.94 120.40 3fyx s ASN 5 Ca -0.06 -0.14 -0.11 0.00 0.21 0.00 0.00 52.86 52.76 3fyx s ASN 5 Cb -0.07 1.87 0.01 0.00 -0.55 0.00 0.00 41.25 42.51 3fyx s ASN 5 CO -0.07 -0.28 0.21 -0.54 -2.79 0.00 0.00 177.10 173.64 3fyx s LYS 6 N 2.54 0.56 -1.41 0.43 -0.14 -1.13 -4.94 119.74 115.65 3fyx s LYS 6 Ca 0.11 -0.30 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 3fyx s LYS 6 Cb -0.09 0.24 0.08 0.00 -1.68 0.00 0.00 37.83 36.38 3fyx s LYS 6 CO -0.22 -0.14 0.64 -0.25 -0.76 0.00 0.00 175.35 174.62 3fyx n ASP 7 N 1.39 -4.05 0.00 2.83 8.00 -1.26 -2.18 116.55 121.28 3fyx n ASP 7 Ca -0.22 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3fyx n ASP 7 Cb 0.56 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3fyx n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fyx n GLY 8 N -1.33 2.54 3.62 0.44 0.00 -1.26 -4.94 105.19 104.26 3fyx n GLY 8 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3fyx n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyx s ASN 9 N -3.72 6.54 -0.10 1.61 2.47 -0.92 -2.94 114.94 117.88 3fyx s ASN 9 Ca 0.00 0.64 0.03 0.00 0.42 0.00 0.00 52.86 53.94 3fyx s ASN 9 Cb 0.00 -2.33 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 3fyx s ASN 9 CO 0.00 -0.38 -0.19 -1.59 -3.72 0.00 0.00 177.10 171.23 3fyx s LYS 10 N 2.50 3.03 -0.17 0.43 -2.85 0.85 -2.86 119.74 120.67 3fyx s LYS 10 Ca 0.25 -0.78 0.01 0.00 -1.00 0.00 0.00 55.97 54.45 3fyx s LYS 10 Cb -0.15 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.21 3fyx s LYS 10 CO 0.09 0.28 -0.18 0.08 0.10 0.00 0.00 175.35 175.72 3fyx s VAL 11 N 0.13 2.28 -0.21 1.79 1.01 -0.25 -0.25 120.40 124.90 3fyx s VAL 11 Ca -0.09 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3fyx s VAL 11 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3fyx s VAL 11 CO 0.06 0.53 0.05 -0.62 0.00 0.00 0.00 175.10 175.11 3fyx s ASP 12 N 1.10 5.20 -0.30 3.32 -1.08 0.16 -2.24 116.67 122.85 3fyx s ASP 12 Ca 0.00 -0.11 -0.08 0.00 -0.52 0.00 0.00 52.55 51.84 3fyx s ASP 12 Cb -0.14 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 3fyx s ASP 12 CO -0.07 0.06 0.10 -0.22 0.52 0.00 0.00 175.17 175.57 3fyx s LEU 13 N 1.01 3.89 0.06 -1.34 2.96 0.22 -1.56 118.68 123.93 3fyx s LEU 13 Ca 0.03 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3fyx s LEU 13 Cb -0.14 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3fyx s LEU 13 CO 0.03 -0.18 -0.13 -0.72 -1.32 0.00 0.00 176.35 174.03 3fyx s TYR 14 N 1.55 1.09 0.21 5.38 -0.85 -0.55 -1.40 117.35 122.77 3fyx s TYR 14 Ca 0.04 -0.47 -0.08 0.00 -0.52 0.00 0.00 57.07 56.04 3fyx s TYR 14 Cb -0.17 -0.62 0.03 0.00 0.38 0.00 0.00 41.96 41.58 3fyx s TYR 14 CO 0.04 0.02 0.43 0.41 -1.52 0.00 0.00 175.55 174.93 3fyx n GLY 15 N 1.34 1.43 3.48 5.49 0.00 -0.73 -0.73 105.19 115.47 3fyx n GLY 15 Ca -0.21 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 3fyx n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fyx s ALA 17 N -3.55 1.73 -0.80 0.00 0.00 0.11 -2.33 121.76 116.92 3fyx s ALA 17 Ca 0.03 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.82 3fyx s ALA 17 Cb -0.01 -1.36 0.21 0.00 0.00 0.00 0.00 23.12 21.95 3fyx s ALA 17 CO -0.10 -1.17 0.70 0.28 0.00 0.00 0.00 175.76 175.46 3fyx n VAL 18 N 4.76 2.50 -1.66 0.00 0.31 -0.53 -1.30 118.33 122.42 3fyx n VAL 18 Ca -0.11 -5.08 -0.45 0.00 -0.01 0.00 0.00 64.34 58.69 3fyx n VAL 18 Cb 0.45 -2.25 -0.04 0.00 -0.91 0.00 0.00 33.84 31.09 3fyx n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fyx n GLY 19 N 1.91 1.58 3.04 2.92 0.00 -1.05 -2.39 105.19 111.20 3fyx n GLY 19 Ca 0.22 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.96 3fyx n GLY 19 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fyx s LEU 20 N 4.84 1.41 0.07 0.99 2.96 -1.26 -1.11 118.68 126.57 3fyx s LEU 20 Ca 0.92 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.16 3fyx s LEU 20 Cb -0.54 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.67 3fyx s LEU 20 CO 0.45 -0.07 -0.13 -2.28 -1.32 0.00 0.00 176.35 173.00 3fyx s HIS 21 N -0.01 1.12 -0.01 5.38 5.65 0.68 -0.90 115.29 127.19 3fyx s HIS 21 Ca -0.01 -0.47 0.06 0.00 0.25 0.00 0.00 55.06 54.89 3fyx s HIS 21 Cb -0.02 -0.64 -0.03 0.00 -1.18 0.00 0.00 32.58 30.72 3fyx s HIS 21 CO 0.00 0.03 -0.19 0.71 -0.65 0.00 0.00 174.74 174.64 3fyx s TYR 22 N -1.29 2.53 -0.18 3.88 1.51 -0.38 -1.11 117.35 122.32 3fyx s TYR 22 Ca -0.03 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3fyx s TYR 22 Cb -0.10 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.25 3fyx s TYR 22 CO 0.02 0.14 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.40 3fyx s PHE 23 N -0.75 2.47 0.04 2.71 0.40 0.94 -1.87 117.98 121.92 3fyx s PHE 23 Ca 0.12 -1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 54.80 3fyx s PHE 23 Cb -0.10 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.74 3fyx s PHE 23 CO 0.01 -0.74 0.24 -1.12 0.70 0.00 0.00 175.22 174.31 3fyx s SER 24 N 1.38 -0.03 0.57 1.36 0.01 -1.26 -0.35 113.70 115.37 3fyx s SER 24 Ca 0.01 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 3fyx s SER 24 Cb -0.15 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 3fyx s SER 24 CO -0.10 -0.59 0.91 -1.59 0.41 0.00 0.00 173.24 172.28 3fyx s LYS 25 N -2.62 3.34 3.32 12.44 -2.85 -1.26 -4.71 119.74 127.40 3fyx s LYS 25 Ca -0.05 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 3fyx s LYS 25 Cb -0.01 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 3fyx s LYS 25 CO -0.04 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.32 3fyx n GLY 26 N -2.54 0.72 0.28 0.59 0.00 -1.26 -2.27 105.19 100.71 3fyx n GLY 26 Ca 0.04 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.39 3fyx n GLY 26 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fyx h ASN 27 N 3.99 0.00 -0.14 1.61 -0.73 -2.01 -3.46 115.58 114.84 3fyx h ASN 27 Ca 0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 3fyx h ASN 27 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3fyx h ASN 27 CO 0.00 0.05 -0.06 0.61 -0.37 0.00 0.00 177.43 177.67 3fyx n GLY 28 N -1.14 0.61 0.31 1.57 0.00 -0.96 -4.32 105.19 101.26 3fyx n GLY 28 Ca -0.03 -0.52 0.20 0.00 0.00 0.00 0.00 46.02 45.68 3fyx n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fyx h GLU 29 N 0.30 0.00 -0.07 1.61 4.81 -1.88 -2.85 114.58 116.50 3fyx h GLU 29 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3fyx h GLU 29 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3fyx h GLU 29 CO 0.09 0.01 0.00 -1.71 -0.73 0.00 0.00 179.01 176.67 3fyx n ASN 30 N -3.13 1.94 -4.69 1.04 2.85 -1.26 -4.80 115.26 107.21 3fyx n ASN 30 Ca -0.02 -1.73 -0.25 0.00 -0.11 0.00 0.00 54.58 52.47 3fyx n ASN 30 Cb 0.16 -0.04 0.10 0.00 1.24 0.00 0.00 39.78 41.24 3fyx n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3fyx s SER 31 N -0.77 4.36 0.03 1.20 1.04 -1.07 0.17 113.70 118.66 3fyx s SER 31 Ca 0.05 0.09 -0.28 0.00 0.48 0.00 0.00 55.95 56.30 3fyx s SER 31 Cb 0.03 -0.55 -0.17 0.00 0.10 0.00 0.00 66.02 65.43 3fyx s SER 31 CO 0.04 -1.87 1.34 0.22 0.98 0.00 0.00 173.24 173.95 3fyx h TYR 32 N -0.72 -0.67 -0.06 5.02 3.20 -1.58 -3.39 116.97 118.77 3fyx h TYR 32 Ca -0.41 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3fyx h TYR 32 Cb 1.28 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.77 3fyx h TYR 32 CO -0.14 -0.34 0.00 0.41 -1.64 0.00 0.00 178.16 176.44 3fyx n GLY 33 N -0.81 0.24 0.84 1.82 0.00 -1.26 -4.92 105.19 101.10 3fyx n GLY 33 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3fyx n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyx n GLY 34 N 0.80 -2.16 3.27 -0.02 0.00 -1.26 -5.05 105.19 100.77 3fyx n GLY 34 Ca 0.09 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 3fyx n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyx s ASN 35 N -3.33 -0.48 0.00 1.61 3.84 -1.26 -4.38 114.94 110.94 3fyx s ASN 35 Ca 0.00 0.85 0.00 0.00 0.21 0.00 0.00 52.86 53.92 3fyx s ASN 35 Cb 0.00 0.78 0.00 0.00 -0.55 0.00 0.00 41.25 41.48 3fyx s ASN 35 CO 0.00 -0.17 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 3fyx n GLY 36 N 3.76 -0.01 3.76 1.21 0.00 -0.78 -4.95 105.19 108.18 3fyx n GLY 36 Ca -0.20 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 3fyx n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fyx s ASP 37 N -4.00 6.80 0.00 1.61 2.15 -1.26 -1.24 116.67 120.72 3fyx s ASP 37 Ca 0.00 2.65 0.01 0.00 0.43 0.00 0.00 52.55 55.63 3fyx s ASP 37 Cb 0.00 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 3fyx s ASP 37 CO 0.00 -0.53 0.89 0.23 -0.17 0.00 0.00 175.17 175.59 3fyx n MET 38 N 1.06 0.00 -1.98 4.34 2.81 -0.08 -4.88 117.12 118.39 3fyx n MET 38 Ca 0.01 -0.79 -0.41 0.00 -1.81 0.00 0.00 57.70 54.70 3fyx n MET 38 Cb 0.42 -0.37 -0.01 0.00 -0.71 0.00 0.00 33.22 32.55 3fyx n MET 38 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fyx s THR 39 N 0.00 2.43 0.12 2.03 2.01 -1.08 -4.57 115.64 116.59 3fyx s THR 39 Ca 0.01 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.33 3fyx s THR 39 Cb 0.01 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.25 3fyx s THR 39 CO -0.00 0.10 0.29 -0.72 -0.69 0.00 0.00 174.62 173.60 3fyx s TYR 40 N -1.13 0.10 0.11 4.92 1.13 -1.01 -0.25 117.35 121.22 3fyx s TYR 40 Ca 0.51 -0.48 0.07 0.00 -1.41 0.00 0.00 57.07 55.75 3fyx s TYR 40 Cb -0.43 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.45 3fyx s TYR 40 CO 0.57 -0.65 -0.17 0.00 -2.51 0.00 0.00 175.55 172.80 3fyx s ALA 41 N -3.87 1.57 0.08 9.51 0.00 0.27 -1.45 121.76 127.86 3fyx s ALA 41 Ca 0.07 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.86 3fyx s ALA 41 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3fyx s ALA 41 CO -0.08 0.22 -0.13 1.03 0.00 0.00 0.00 175.76 176.80 3fyx s ARG 42 N -2.18 0.82 -0.23 0.00 1.81 -0.98 0.59 118.95 118.78 3fyx s ARG 42 Ca 0.06 -1.01 -0.23 0.00 -1.72 0.00 0.00 55.73 52.83 3fyx s ARG 42 Cb -0.08 -0.72 0.06 0.00 -0.45 0.00 0.00 34.95 33.76 3fyx s ARG 42 CO 0.04 0.15 0.64 -1.17 -0.68 0.00 0.00 175.30 174.28 3fyx s LEU 43 N -1.97 -0.46 0.06 2.53 2.96 -0.86 -1.74 118.68 119.20 3fyx s LEU 43 Ca 0.00 1.27 -0.27 0.00 -0.22 0.00 0.00 54.13 54.91 3fyx s LEU 43 Cb -0.08 2.22 0.09 0.00 0.50 0.00 0.00 46.19 48.93 3fyx s LEU 43 CO 0.02 -0.24 1.16 -0.83 -1.32 0.00 0.00 176.35 175.14 3fyx s GLY 44 N 0.27 -0.22 -0.06 7.98 0.00 0.09 -0.43 107.32 114.95 3fyx s GLY 44 Ca -0.01 0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.97 3fyx s GLY 44 CO 0.01 1.53 -0.10 -0.11 0.00 0.00 0.00 173.10 174.43 3fyx s PHE 45 N -2.50 1.28 -0.39 1.90 -0.12 0.34 -1.48 117.98 117.01 3fyx s PHE 45 Ca 0.18 -0.47 -0.16 0.00 -0.05 0.00 0.00 56.93 56.43 3fyx s PHE 45 Cb 0.01 -0.98 0.01 0.00 -0.63 0.00 0.00 43.02 41.43 3fyx s PHE 45 CO -0.00 -0.27 0.36 0.15 -0.05 0.00 0.00 175.22 175.41 3fyx s LYS 46 N 0.81 3.24 0.22 1.99 1.02 -0.60 -1.79 119.74 124.62 3fyx s LYS 46 Ca -0.12 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 55.22 3fyx s LYS 46 Cb -0.15 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 3fyx s LYS 46 CO 0.02 -0.69 0.11 0.20 -0.92 0.00 0.00 175.35 174.06 3fyx s GLY 47 N 1.75 1.59 -0.24 -3.33 0.00 -0.01 0.38 107.32 107.47 3fyx s GLY 47 Ca 0.10 -1.40 -0.15 0.00 0.00 0.00 0.00 44.72 43.27 3fyx s GLY 47 CO 0.12 -1.43 0.59 1.85 0.00 0.00 0.00 173.10 174.23 3fyx s GLU 48 N -3.44 0.61 0.01 2.90 2.12 0.65 -2.52 118.70 119.03 3fyx s GLU 48 Ca 0.31 1.03 0.04 0.00 0.36 0.00 0.00 54.97 56.70 3fyx s GLU 48 Cb -0.08 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.41 3fyx s GLU 48 CO 0.22 -0.14 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.61 3fyx s THR 49 N 1.35 0.89 -0.35 -1.70 -1.32 0.40 -0.10 115.64 114.81 3fyx s THR 49 Ca -0.08 -0.65 -0.16 0.00 -1.21 0.00 0.00 61.69 59.58 3fyx s THR 49 Cb -0.06 -0.78 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 3fyx s THR 49 CO -0.14 0.12 0.41 -1.10 -2.21 0.00 0.00 174.62 171.70 3fyx s GLN 50 N -0.60 3.58 -0.03 7.08 -0.21 -1.15 0.76 119.66 129.09 3fyx s GLN 50 Ca 0.02 -0.33 -0.14 0.00 0.02 0.00 0.00 55.36 54.93 3fyx s GLN 50 Cb -0.06 -3.81 -0.32 0.00 1.00 0.00 0.00 33.01 29.82 3fyx s GLN 50 CO 0.00 -0.57 0.78 0.82 -2.12 0.00 0.00 175.29 174.21 3fyx h ILE 51 N 5.57 1.09 -0.65 1.08 2.04 -1.58 -3.47 117.51 121.58 3fyx h ILE 51 Ca -0.29 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3fyx h ILE 51 Cb 1.14 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 3fyx h ILE 51 CO 0.72 0.82 0.00 -0.46 0.00 0.00 0.00 178.15 179.24 3fyx n ASN 52 N -3.69 0.00 0.14 1.72 0.23 -1.13 -4.97 115.26 107.57 3fyx n ASN 52 Ca -0.22 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.71 3fyx n ASN 52 Cb 1.06 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.69 3fyx n ASN 52 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3fyx h SER 53 N 0.00 -0.34 0.35 0.53 0.02 -2.03 -3.27 113.55 108.81 3fyx h SER 53 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3fyx h SER 53 Cb 0.00 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3fyx h SER 53 CO 0.00 0.08 0.00 0.47 -1.14 0.00 0.00 176.83 176.24 3fyx n ASP 54 N -5.09 0.00 -3.95 3.07 8.00 -1.26 -4.78 116.55 112.53 3fyx n ASP 54 Ca -0.09 0.31 -0.20 0.00 0.71 0.00 0.00 54.79 55.52 3fyx n ASP 54 Cb 0.27 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.81 3fyx n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fyx s LEU 55 N -2.80 1.57 -0.10 0.64 2.96 -1.23 0.95 118.68 120.67 3fyx s LEU 55 Ca 0.09 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3fyx s LEU 55 Cb 0.09 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.27 3fyx s LEU 55 CO 0.22 0.01 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.29 3fyx s THR 56 N 0.57 0.98 -0.14 3.68 2.01 -0.58 -1.33 115.64 120.83 3fyx s THR 56 Ca -0.09 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.57 3fyx s THR 56 Cb -0.12 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 3fyx s THR 56 CO 0.01 0.35 0.08 -0.83 -0.69 0.00 0.00 174.62 173.54 3fyx s GLY 57 N 1.55 2.00 0.20 4.40 0.00 0.23 0.53 107.32 116.23 3fyx s GLY 57 Ca 0.02 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3fyx s GLY 57 CO -0.06 -0.24 0.04 -2.52 0.00 0.00 0.00 173.10 170.33 3fyx s TYR 58 N -0.42 1.28 -0.12 1.90 -0.85 -0.79 0.15 117.35 118.50 3fyx s TYR 58 Ca 0.10 -1.11 -0.29 0.00 -0.52 0.00 0.00 57.07 55.25 3fyx s TYR 58 Cb -0.12 -0.73 0.08 0.00 0.38 0.00 0.00 41.96 41.56 3fyx s TYR 58 CO 0.02 -0.30 0.72 0.20 -1.52 0.00 0.00 175.55 174.67 3fyx s GLY 59 N -3.21 -0.54 -0.01 5.49 0.00 -1.05 -1.83 107.32 106.19 3fyx s GLY 59 Ca 0.29 1.59 -0.02 0.00 0.00 0.00 0.00 44.72 46.59 3fyx s GLY 59 CO 0.07 1.20 0.04 1.62 0.00 0.00 0.00 173.10 176.03 3fyx s GLN 60 N -0.73 0.18 -0.05 2.90 0.74 -0.35 -0.83 119.66 121.52 3fyx s GLN 60 Ca -0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 3fyx s GLN 60 Cb -0.01 0.07 0.04 0.00 1.10 0.00 0.00 33.01 34.20 3fyx s GLN 60 CO 0.07 -0.03 0.10 -0.46 -0.55 0.00 0.00 175.29 174.41 3fyx s TRP 61 N -0.55 -0.07 0.01 1.67 -0.00 -0.74 -0.51 118.94 118.75 3fyx s TRP 61 Ca -0.06 0.36 0.05 0.00 -0.00 0.00 0.00 56.10 56.45 3fyx s TRP 61 Cb -0.04 -0.23 -0.02 0.00 -0.00 0.00 0.00 33.47 33.19 3fyx s TRP 61 CO -0.00 -0.17 -0.17 -2.00 -0.00 0.00 0.00 176.95 174.62 3fyx s GLU 62 N 1.50 1.27 -0.02 5.86 2.12 -0.53 -0.50 118.70 128.40 3fyx s GLU 62 Ca -0.05 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.62 3fyx s GLU 62 Cb -0.12 -1.26 0.01 0.00 0.26 0.00 0.00 34.13 33.02 3fyx s GLU 62 CO -0.05 0.34 -0.03 -0.47 -0.54 0.00 0.00 175.26 174.52 3fyx s TYR 63 N -0.53 0.43 -0.30 5.30 5.04 0.43 -0.38 117.35 127.34 3fyx s TYR 63 Ca 0.06 -0.07 -0.20 0.00 -2.44 0.00 0.00 57.07 54.41 3fyx s TYR 63 Cb -0.07 -0.39 -0.01 0.00 0.35 0.00 0.00 41.96 41.84 3fyx s TYR 63 CO 0.00 -0.09 0.64 1.21 -1.34 0.00 0.00 175.55 175.97 3fyx s ASN 64 N 0.53 6.51 -0.16 4.32 2.47 0.27 -2.04 114.94 126.85 3fyx s ASN 64 Ca -0.06 0.47 -0.04 0.00 0.42 0.00 0.00 52.86 53.66 3fyx s ASN 64 Cb -0.09 -2.33 -0.03 0.00 -1.45 0.00 0.00 41.25 37.35 3fyx s ASN 64 CO -0.01 -0.47 -0.03 -0.36 -3.72 0.00 0.00 177.10 172.51 3fyx s PHE 65 N 2.61 3.03 -0.06 0.43 0.08 0.20 -2.48 117.98 121.79 3fyx s PHE 65 Ca 0.26 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.83 3fyx s PHE 65 Cb -0.15 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 3fyx s PHE 65 CO 0.11 -0.06 0.45 -0.65 -0.10 0.00 0.00 175.22 174.97 3fyx s GLN 66 N 0.45 4.18 0.00 0.44 -1.52 -1.26 0.93 119.66 122.88 3fyx s GLN 66 Ca -0.03 0.44 0.24 0.00 -1.95 0.00 0.00 55.36 54.06 3fyx s GLN 66 Cb -0.14 -3.35 0.22 0.00 -0.22 0.00 0.00 33.01 29.53 3fyx s GLN 66 CO 0.03 0.38 1.28 0.41 -0.25 0.00 0.00 175.29 177.14 3fyx n GLY 67 N 2.66 0.97 1.26 3.09 0.00 0.66 -4.49 105.19 109.34 3fyx n GLY 67 Ca -0.10 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.34 3fyx n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fyx n ASN 68 N 1.31 3.97 -4.87 1.61 6.94 -1.21 -4.84 115.26 118.17 3fyx n ASN 68 Ca 0.14 -2.14 -0.35 0.00 -0.02 0.00 0.00 54.58 52.21 3fyx n ASN 68 Cb 0.59 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.49 3fyx n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3fyx s ASN 69 N -1.01 6.62 0.64 0.53 0.01 -1.26 -5.04 114.94 115.44 3fyx s ASN 69 Ca 0.45 0.76 -0.16 0.00 -0.71 0.00 0.00 52.86 53.19 3fyx s ASN 69 Cb 0.25 -2.17 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 3fyx s ASN 69 CO 0.27 0.20 1.14 -0.94 -1.51 0.00 0.00 177.10 176.26 3fyx s SER 70 N -1.69 5.06 0.00 -1.22 1.04 -1.26 -4.89 113.70 110.74 3fyx s SER 70 Ca 0.31 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.88 3fyx s SER 70 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3fyx s SER 70 CO 0.17 -1.67 0.43 -0.62 0.98 0.00 0.00 173.24 172.54 3fyx n GLU 71 N -2.18 0.51 0.00 4.02 1.02 -1.26 -3.14 120.64 119.61 3fyx n GLU 71 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3fyx n GLU 71 Cb 0.51 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 3fyx n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fyx n GLY 72 N 0.08 1.15 0.10 0.62 0.00 -1.26 -4.84 105.19 101.05 3fyx n GLY 72 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3fyx n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fyx n ALA 73 N -3.00 1.57 0.78 4.61 0.00 -1.26 -4.13 120.51 119.07 3fyx n ALA 73 Ca 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 53.44 52.64 3fyx n ALA 73 Cb 0.00 0.03 0.38 0.00 0.00 0.00 0.00 19.45 19.86 3fyx n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fyx n ASP 74 N -3.07 0.00 -0.22 0.00 5.75 -1.26 -4.05 116.55 113.70 3fyx n ASP 74 Ca -0.35 -0.32 0.31 0.00 -0.01 0.00 0.00 54.79 54.42 3fyx n ASP 74 Cb 0.88 -0.05 0.69 0.00 -1.03 0.00 0.00 41.12 41.62 3fyx n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fyx h ALA 75 N 2.78 2.89 -0.02 2.12 0.00 -1.70 -2.82 119.26 122.52 3fyx h ALA 75 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fyx h ALA 75 Cb 0.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fyx h ALA 75 CO 0.00 -1.40 -0.41 1.04 0.00 0.00 0.00 179.25 178.48 3fyx n GLN 76 N -3.83 1.38 -2.15 0.00 1.13 -1.26 -4.89 117.38 107.77 3fyx n GLN 76 Ca 0.22 -1.15 -0.42 0.00 -1.94 0.00 0.00 57.00 53.71 3fyx n GLN 76 Cb 1.21 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 30.06 3fyx n GLN 76 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3fyx s THR 77 N -2.41 3.24 -0.21 5.09 2.01 -1.06 -2.53 115.64 119.77 3fyx s THR 77 Ca 0.20 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.09 3fyx s THR 77 Cb 0.18 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 69.12 3fyx s THR 77 CO 0.53 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 3fyx n GLY 78 N 3.47 0.53 3.76 4.40 0.00 -1.26 -4.62 105.19 111.47 3fyx n GLY 78 Ca 0.11 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3fyx n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fyx s ASN 79 N -2.34 7.47 -0.15 1.61 -0.87 -1.05 -4.63 114.94 114.98 3fyx s ASN 79 Ca 0.00 1.74 -0.30 0.00 -1.57 0.00 0.00 52.86 52.73 3fyx s ASN 79 Cb 0.00 -2.54 0.13 0.00 -0.02 0.00 0.00 41.25 38.82 3fyx s ASN 79 CO 0.00 0.15 1.00 -1.59 -2.57 0.00 0.00 177.10 174.08 3fyx s LYS 80 N -0.94 0.60 -0.23 -0.60 -2.85 -1.04 -5.02 119.74 109.67 3fyx s LYS 80 Ca 0.39 0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 55.16 3fyx s LYS 80 Cb -0.24 0.28 0.01 0.00 -2.06 0.00 0.00 37.83 35.82 3fyx s LYS 80 CO 0.28 -0.20 1.03 0.99 0.10 0.00 0.00 175.35 177.55 3fyx s THR 81 N -1.35 4.69 -0.10 3.79 2.01 -1.26 -0.57 115.64 122.85 3fyx s THR 81 Ca -0.01 2.01 -0.08 0.00 0.31 0.00 0.00 61.69 63.93 3fyx s THR 81 Cb -0.01 -4.30 -0.28 0.00 0.01 0.00 0.00 72.50 67.93 3fyx s THR 81 CO 0.00 -0.17 0.46 0.03 -0.69 0.00 0.00 174.62 174.25 3fyx h ARG 82 N 7.45 0.30 -5.19 4.92 3.08 -1.08 -3.47 114.38 120.39 3fyx h ARG 82 Ca -0.20 -0.52 -0.42 0.00 0.07 0.00 0.00 59.98 58.92 3fyx h ARG 82 Cb 1.06 0.19 -0.24 0.00 0.08 0.00 0.00 29.97 31.06 3fyx h ARG 82 CO 0.97 1.24 -0.78 -0.51 -1.07 0.00 0.00 179.97 179.82 3fyx s LEU 83 N -7.11 2.18 -0.29 3.04 1.43 -1.14 -4.73 118.68 112.05 3fyx s LEU 83 Ca -0.20 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3fyx s LEU 83 Cb 0.06 -0.54 0.19 0.00 0.03 0.00 0.00 46.19 45.94 3fyx s LEU 83 CO 0.79 0.00 0.71 0.00 0.23 0.00 0.00 176.35 178.08 3fyx s ALA 84 N -0.89 -2.77 0.28 4.21 0.00 -1.04 -1.45 121.76 120.10 3fyx s ALA 84 Ca 0.00 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 3fyx s ALA 84 Cb -0.08 -2.55 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 3fyx s ALA 84 CO 0.01 -1.80 0.49 -0.59 0.00 0.00 0.00 175.76 173.86 3fyx s PHE 85 N 2.87 0.52 -0.02 0.00 -0.12 0.33 -0.95 117.98 120.60 3fyx s PHE 85 Ca 0.15 -0.87 -0.20 0.00 -0.05 0.00 0.00 56.93 55.96 3fyx s PHE 85 Cb -0.09 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 3fyx s PHE 85 CO -0.24 -1.05 0.42 0.00 -0.05 0.00 0.00 175.22 174.30 3fyx s ALA 86 N -3.70 -1.08 0.27 1.99 0.00 -1.03 -1.21 121.76 117.01 3fyx s ALA 86 Ca 0.24 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.62 3fyx s ALA 86 Cb -0.01 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.22 3fyx s ALA 86 CO 0.12 -0.29 0.85 0.20 0.00 0.00 0.00 175.76 176.63 3fyx s GLY 87 N -1.28 0.06 -0.15 0.00 0.00 -0.76 -2.09 107.32 103.10 3fyx s GLY 87 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3fyx s GLY 87 CO 0.06 0.27 -0.12 1.08 0.00 0.00 0.00 173.10 174.38 3fyx s LEU 88 N -3.05 1.62 -0.63 0.66 1.43 -0.53 -1.89 118.68 116.29 3fyx s LEU 88 Ca 0.14 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 3fyx s LEU 88 Cb -0.04 -1.10 0.08 0.00 0.03 0.00 0.00 46.19 45.15 3fyx s LEU 88 CO 0.07 -0.08 0.89 -0.54 0.23 0.00 0.00 176.35 176.92 3fyx s LYS 89 N 1.53 3.10 -0.42 1.70 1.02 0.19 -2.00 119.74 124.86 3fyx s LYS 89 Ca 0.04 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 54.89 3fyx s LYS 89 Cb -0.13 -4.22 0.02 0.00 -0.52 0.00 0.00 37.83 32.97 3fyx s LYS 89 CO -0.10 -1.71 0.70 -0.47 -0.92 0.00 0.00 175.35 172.84 3fyx s TYR 90 N 3.67 3.06 0.00 3.18 5.04 0.39 -1.52 117.35 131.18 3fyx s TYR 90 Ca 0.20 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 3fyx s TYR 90 Cb -0.19 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.71 3fyx s TYR 90 CO 0.10 -0.85 0.00 0.00 -1.34 0.00 0.00 175.55 173.46 3fyx n ALA 91 N 6.38 0.00 0.30 3.97 0.00 0.27 -1.22 120.51 130.21 3fyx n ALA 91 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3fyx n ALA 91 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 3fyx n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fyx n ASP 92 N 0.28 1.29 -0.02 0.00 8.00 -1.26 -4.65 116.55 120.19 3fyx n ASP 92 Ca 0.00 -0.45 -0.12 0.00 0.71 0.00 0.00 54.79 54.93 3fyx n ASP 92 Cb 0.00 1.20 0.01 0.00 -0.02 0.00 0.00 41.12 42.32 3fyx n ASP 92 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fyx h VAL 93 N 0.00 1.31 0.00 2.53 2.07 -1.54 -3.39 116.25 117.23 3fyx h VAL 93 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3fyx h VAL 93 Cb 0.36 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3fyx h VAL 93 CO 0.00 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.78 3fyx n GLY 94 N 0.36 0.00 3.52 2.17 0.00 -0.36 -4.89 105.19 105.99 3fyx n GLY 94 Ca -0.04 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 3fyx n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fyx s SER 95 N -4.00 -0.91 -0.11 1.61 1.04 -1.07 0.15 113.70 110.41 3fyx s SER 95 Ca 0.00 1.38 0.03 0.00 0.48 0.00 0.00 55.95 57.84 3fyx s SER 95 Cb 0.00 2.04 0.00 0.00 0.10 0.00 0.00 66.02 68.16 3fyx s SER 95 CO 0.00 -0.23 -0.23 0.12 0.98 0.00 0.00 173.24 173.89 3fyx s PHE 96 N 2.82 2.52 -0.02 5.02 5.36 -0.85 -1.68 117.98 131.16 3fyx s PHE 96 Ca -0.03 -1.10 0.00 0.00 -0.96 0.00 0.00 56.93 54.84 3fyx s PHE 96 Cb -0.12 -1.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 3fyx s PHE 96 CO -0.17 -0.46 0.01 0.16 -1.46 0.00 0.00 175.22 173.29 3fyx s ASP 97 N 0.49 0.24 0.11 6.13 1.47 -0.50 -1.45 116.67 123.16 3fyx s ASP 97 Ca -0.16 -0.00 0.06 0.00 1.18 0.00 0.00 52.55 53.63 3fyx s ASP 97 Cb -0.17 -0.12 -0.04 0.00 -0.34 0.00 0.00 42.92 42.25 3fyx s ASP 97 CO 0.06 -0.08 -0.03 -0.47 0.68 0.00 0.00 175.17 175.32 3fyx s TYR 98 N 0.79 2.88 -5.00 2.11 5.04 -0.89 -1.37 117.35 120.92 3fyx s TYR 98 Ca -0.07 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 3fyx s TYR 98 Cb -0.10 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.73 3fyx s TYR 98 CO -0.02 0.47 0.00 0.41 -1.34 0.00 0.00 175.55 175.07 3fyx n GLY 99 N 0.47 0.14 3.66 8.97 0.00 -1.22 -2.45 105.19 114.77 3fyx n GLY 99 Ca -0.11 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3fyx n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fyx s ARG 100 N -2.00 4.18 0.30 1.61 3.52 -0.12 -1.60 118.95 124.83 3fyx s ARG 100 Ca 0.00 0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 55.74 3fyx s ARG 100 Cb 0.00 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3fyx s ARG 100 CO 0.00 -0.11 0.68 1.21 -0.81 0.00 0.00 175.30 176.27 3fyx s ASN 101 N 1.13 -0.12 0.24 -2.12 3.84 0.49 -2.48 114.94 115.92 3fyx s ASN 101 Ca 0.22 -0.83 -0.30 0.00 0.21 0.00 0.00 52.86 52.16 3fyx s ASN 101 Cb -0.15 0.73 -0.10 0.00 -0.55 0.00 0.00 41.25 41.18 3fyx s ASN 101 CO 0.09 -1.38 1.42 -0.31 -2.79 0.00 0.00 177.10 174.13 3fyx s TYR 102 N -3.55 3.06 0.56 0.43 2.02 -1.26 -0.22 117.35 118.38 3fyx s TYR 102 Ca 0.15 1.06 -0.15 0.00 -0.37 0.00 0.00 57.07 57.75 3fyx s TYR 102 Cb -0.05 -3.78 -0.06 0.00 -0.40 0.00 0.00 41.96 37.67 3fyx s TYR 102 CO 0.09 -2.54 1.02 0.20 -1.57 0.00 0.00 175.55 172.75 3fyx s GLY 103 N 0.36 2.02 0.40 0.71 0.00 0.38 -4.89 107.32 106.30 3fyx s GLY 103 Ca 0.59 0.22 0.19 0.00 0.00 0.00 0.00 44.72 45.71 3fyx s GLY 103 CO 0.42 0.51 1.77 -0.39 0.00 0.00 0.00 173.10 175.41 3fyx h VAL 104 N 0.56 0.52 -0.71 1.40 -1.51 -1.91 0.59 116.25 115.18 3fyx h VAL 104 Ca -0.46 -0.13 0.06 0.00 -1.23 0.00 0.00 66.70 64.93 3fyx h VAL 104 Cb 1.20 0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 30.40 3fyx h VAL 104 CO 0.60 0.07 0.41 0.58 -1.23 0.00 0.00 177.57 178.00 3fyx h VAL 105 N 0.39 0.98 0.00 7.19 2.07 -1.73 0.25 116.25 125.40 3fyx h VAL 105 Ca 0.60 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3fyx h VAL 105 Cb 1.52 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3fyx h VAL 105 CO -0.30 0.14 0.34 0.22 0.02 0.00 0.00 177.57 177.99 3fyx h TYR 106 N 0.75 0.00 0.00 1.57 3.20 -0.27 0.64 116.97 122.86 3fyx h TYR 106 Ca 0.32 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3fyx h TYR 106 Cb 0.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3fyx h TYR 106 CO -0.07 0.00 0.00 -0.44 -1.64 0.00 0.00 178.16 176.01 3fyx h ASP 107 N 0.00 0.00 0.00 -2.11 3.32 -0.56 -1.71 116.42 115.35 3fyx h ASP 107 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fyx h ASP 107 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3fyx h ASP 107 CO 0.00 0.00 -0.68 0.00 -1.72 0.00 0.00 179.24 176.84 3fyx n ALA 108 N -2.02 1.22 0.18 3.45 0.00 0.22 -4.66 120.51 118.92 3fyx n ALA 108 Ca -0.02 -0.59 0.17 0.00 0.00 0.00 0.00 53.44 53.00 3fyx n ALA 108 Cb 0.09 0.07 0.79 0.00 0.00 0.00 0.00 19.45 20.40 3fyx n ALA 108 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fyx h LEU 109 N -0.68 0.00 -0.85 0.00 3.38 -1.58 -2.57 115.31 113.02 3fyx h LEU 109 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 3fyx h LEU 109 Cb 0.68 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 3fyx h LEU 109 CO 0.00 0.00 0.33 1.23 0.09 0.00 0.00 178.44 180.09 3fyx h GLY 110 N 0.00 1.37 -0.61 0.83 0.00 -1.57 -2.43 103.07 100.66 3fyx h GLY 110 Ca 0.10 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.39 3fyx h GLY 110 CO -0.00 -0.23 -0.25 -1.72 0.00 0.00 0.00 176.54 174.34 3fyx n TYR 111 N -5.07 -0.01 0.23 5.60 4.02 -0.97 -0.23 117.16 120.73 3fyx n TYR 111 Ca 0.19 0.76 0.08 0.00 -0.01 0.00 0.00 57.90 58.92 3fyx n TYR 111 Cb 0.58 -0.71 0.24 0.00 -0.02 0.00 0.00 39.34 39.43 3fyx n TYR 111 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3fyx n THR 112 N -4.89 0.85 -2.63 -0.72 -2.24 -0.91 -4.39 114.28 99.35 3fyx n THR 112 Ca 0.06 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 3fyx n THR 112 Cb 0.24 0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3fyx n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3fyx n ASP 113 N 1.00 5.60 0.00 3.42 2.03 0.68 -3.47 116.55 125.81 3fyx n ASP 113 Ca 0.18 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.27 3fyx n ASP 113 Cb 0.50 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 3fyx n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3fyx n MET 114 N 2.97 0.15 -2.56 -0.67 2.81 -1.26 -4.96 117.12 113.61 3fyx n MET 114 Ca 0.34 -0.47 -0.34 0.00 -1.81 0.00 0.00 57.70 55.42 3fyx n MET 114 Cb 0.35 -0.53 -0.04 0.00 -0.71 0.00 0.00 33.22 32.29 3fyx n MET 114 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fyx s LEU 115 N -0.06 3.85 0.30 4.03 1.43 -1.26 -4.95 118.68 122.03 3fyx s LEU 115 Ca 0.00 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 3fyx s LEU 115 Cb 0.00 -4.56 0.76 0.00 0.03 0.00 0.00 46.19 42.42 3fyx s LEU 115 CO 0.00 -0.76 1.62 -0.65 0.23 0.00 0.00 176.35 176.79 3fyx h PRO 116 N 1.58 0.14 0.00 1.29 0.11 -1.96 -3.39 132.00 129.77 3fyx h PRO 116 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fyx h PRO 116 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fyx h PRO 116 CO 0.59 0.09 -0.49 -1.91 -0.21 0.00 0.00 178.00 176.07 3fyx n GLU 117 N -5.29 0.00 0.00 1.05 4.07 -1.26 -5.07 120.64 114.14 3fyx n GLU 117 Ca 0.23 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 3fyx n GLU 117 Cb 0.74 -0.30 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 3fyx n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3fyx n PHE 118 N -2.66 0.00 -0.35 4.31 3.72 -1.26 -5.07 117.46 116.14 3fyx n PHE 118 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3fyx n PHE 118 Cb 0.25 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 3fyx n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fyx n GLY 119 N 5.00 -2.22 3.87 1.37 0.00 -1.26 -3.99 105.19 107.96 3fyx n GLY 119 Ca 0.00 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 3fyx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyx n GLY 120 N -1.31 -0.35 0.23 -0.02 0.00 -1.23 -4.90 105.19 97.63 3fyx n GLY 120 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3fyx n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fyx h ASP 121 N -1.89 0.00 -0.31 1.61 5.19 -1.93 -2.95 116.42 116.13 3fyx h ASP 121 Ca -0.61 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 3fyx h ASP 121 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3fyx h ASP 121 CO 0.63 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 177.10 3fyx n THR 122 N -2.99 0.41 -2.17 0.35 -2.24 -1.26 -4.55 114.28 101.84 3fyx n THR 122 Ca 0.03 -0.48 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 3fyx n THR 122 Cb 0.42 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 69.02 3fyx n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyx n ALA 123 N 0.59 6.37 -1.66 6.98 0.00 -1.11 -4.81 120.51 126.86 3fyx n ALA 123 Ca 0.15 -4.24 -0.35 0.00 0.00 0.00 0.00 53.44 48.99 3fyx n ALA 123 Cb 0.35 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 17.73 3fyx n ALA 123 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3fyx s TYR 124 N -3.90 2.33 0.06 0.00 2.02 -1.26 -4.36 117.35 112.24 3fyx s TYR 124 Ca 0.48 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 58.44 3fyx s TYR 124 Cb 0.33 -3.46 -0.05 0.00 -0.40 0.00 0.00 41.96 38.37 3fyx s TYR 124 CO -0.28 -2.28 0.84 -1.12 -1.57 0.00 0.00 175.55 171.13 3fyx s SER 125 N -1.75 7.31 -1.45 2.29 0.01 -1.26 -3.02 113.70 115.83 3fyx s SER 125 Ca 0.76 1.57 -0.10 0.00 1.31 0.00 0.00 55.95 59.49 3fyx s SER 125 Cb -0.30 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.48 3fyx s SER 125 CO 0.36 -0.02 0.95 0.47 0.41 0.00 0.00 173.24 175.41 3fyx n ASP 126 N 2.83 -4.11 -2.76 2.44 8.00 -0.56 -4.91 116.55 117.49 3fyx n ASP 126 Ca -0.01 -0.75 -0.30 0.00 0.71 0.00 0.00 54.79 54.44 3fyx n ASP 126 Cb 0.50 -4.13 -0.00 0.00 -0.02 0.00 0.00 41.12 37.47 3fyx n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3fyx n ASP 127 N -2.92 5.37 0.00 -2.24 2.03 -1.24 -4.50 116.55 113.04 3fyx n ASP 127 Ca -0.05 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.53 3fyx n ASP 127 Cb 0.57 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 3fyx n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3fyx n PHE 128 N -0.40 0.00 0.00 -0.67 3.72 -1.26 -3.31 117.46 115.54 3fyx n PHE 128 Ca 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 3fyx n PHE 128 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3fyx n PHE 128 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3fyx n PHE 129 N 0.00 0.00 0.75 1.38 3.72 -1.26 -4.77 117.46 117.28 3fyx n PHE 129 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3fyx n PHE 129 Cb 0.00 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.03 3fyx n PHE 129 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3fyx n VAL 130 N -0.60 0.40 -1.19 -4.37 0.24 -1.21 -2.05 118.33 109.55 3fyx n VAL 130 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3fyx n VAL 130 Cb 0.00 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 3fyx n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fyx n GLY 131 N 1.30 4.52 3.61 7.63 0.00 -1.17 -4.25 105.19 116.83 3fyx n GLY 131 Ca 0.06 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3fyx n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fyx s ARG 132 N 2.66 3.95 0.29 1.61 0.52 -1.25 -0.47 118.95 126.26 3fyx s ARG 132 Ca 0.00 0.50 0.08 0.00 -0.52 0.00 0.00 55.73 55.79 3fyx s ARG 132 Cb 0.00 -3.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 3fyx s ARG 132 CO 0.00 -0.63 -0.10 0.14 0.02 0.00 0.00 175.30 174.73 3fyx s VAL 133 N 2.82 1.96 -0.17 3.52 -7.23 0.69 -1.50 120.40 120.49 3fyx s VAL 133 Ca 0.30 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 3fyx s VAL 133 Cb -0.14 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3fyx s VAL 133 CO 0.12 -0.31 -0.00 -0.83 -0.31 0.00 0.00 175.10 173.77 3fyx s GLY 134 N -3.50 1.77 0.00 2.32 0.00 -1.26 -0.38 107.32 106.27 3fyx s GLY 134 Ca 0.30 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3fyx s GLY 134 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.84 3fyx n GLY 135 N 3.61 0.82 3.24 0.20 0.00 -0.63 -4.71 105.19 107.72 3fyx n GLY 135 Ca -0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3fyx n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fyx s VAL 136 N -2.21 3.37 -0.11 1.61 -7.23 -0.84 -1.41 120.40 113.58 3fyx s VAL 136 Ca 0.00 -1.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.83 3fyx s VAL 136 Cb 0.00 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 3fyx s VAL 136 CO 0.00 -0.03 0.68 0.00 -0.31 0.00 0.00 175.10 175.44 3fyx s ALA 137 N 1.36 3.41 -0.05 1.32 0.00 -0.30 -3.37 121.76 124.12 3fyx s ALA 137 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3fyx s ALA 137 Cb -0.19 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3fyx s ALA 137 CO 0.00 -0.26 -0.12 0.99 0.00 0.00 0.00 175.76 176.38 3fyx s THR 138 N 1.18 1.07 -0.26 0.00 2.01 -0.47 -0.00 115.64 119.17 3fyx s THR 138 Ca 0.35 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 3fyx s THR 138 Cb -0.17 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.39 3fyx s THR 138 CO 0.15 0.33 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.94 3fyx s TYR 139 N 0.42 3.06 -0.06 4.92 5.04 -0.73 -1.41 117.35 128.60 3fyx s TYR 139 Ca -0.09 -1.17 0.03 0.00 -2.44 0.00 0.00 57.07 53.41 3fyx s TYR 139 Cb -0.13 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 3fyx s TYR 139 CO 0.02 -0.62 -0.15 1.03 -1.34 0.00 0.00 175.55 174.50 3fyx s ARG 140 N 1.43 2.57 -0.13 4.97 0.52 -0.68 -0.94 118.95 126.70 3fyx s ARG 140 Ca 0.03 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 3fyx s ARG 140 Cb -0.16 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.93 3fyx s ARG 140 CO -0.02 0.58 -0.21 1.21 0.02 0.00 0.00 175.30 176.89 3fyx s ASN 141 N -0.62 2.97 -0.09 0.23 3.04 -0.63 -2.60 114.94 117.24 3fyx s ASN 141 Ca 0.09 -0.57 -0.16 0.00 0.04 0.00 0.00 52.86 52.26 3fyx s ASN 141 Cb -0.11 -1.37 -0.05 0.00 -1.54 0.00 0.00 41.25 38.18 3fyx s ASN 141 CO 0.01 0.07 0.42 -0.44 -3.04 0.00 0.00 177.10 174.12 3fyx s SER 142 N 0.83 6.67 -1.52 -4.21 0.01 -1.26 -2.53 113.70 111.69 3fyx s SER 142 Ca -0.07 0.80 -0.03 0.00 1.31 0.00 0.00 55.95 57.95 3fyx s SER 142 Cb -0.15 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.83 3fyx s SER 142 CO -0.01 0.12 0.35 0.59 0.41 0.00 0.00 173.24 174.70 3fyx n ASN 143 N 3.08 -5.48 -3.46 2.44 3.02 -0.95 -3.29 115.26 110.62 3fyx n ASN 143 Ca -0.10 -0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 53.94 3fyx n ASN 143 Cb 0.52 -4.49 0.03 0.00 -0.61 0.00 0.00 39.78 35.22 3fyx n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3fyx n PHE 144 N -4.16 -2.37 -2.24 3.10 7.35 0.15 -1.02 117.46 118.27 3fyx n PHE 144 Ca -0.14 0.99 -0.16 0.00 -0.76 0.00 0.00 57.45 57.38 3fyx n PHE 144 Cb 0.63 -1.88 -0.02 0.00 0.35 0.00 0.00 39.48 38.56 3fyx n PHE 144 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3fyx n PHE 145 N -0.77 -1.03 -1.38 -5.13 3.72 -1.22 -1.51 117.46 110.14 3fyx n PHE 145 Ca -0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.18 3fyx n PHE 145 Cb 0.65 -3.24 -0.03 0.00 -0.94 0.00 0.00 39.48 35.92 3fyx n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fyx n GLY 146 N -0.78 0.81 0.04 1.37 0.00 -0.70 -4.87 105.19 101.05 3fyx n GLY 146 Ca -0.19 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 3fyx n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fyx n LEU 147 N -0.91 0.79 -4.08 0.99 4.77 -0.19 -4.91 117.00 113.46 3fyx n LEU 147 Ca -0.08 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.56 3fyx n LEU 147 Cb 0.31 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.30 3fyx n LEU 147 CO 0.11 0.32 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.42 3fyx s VAL 148 N -2.19 2.44 -0.19 4.08 1.01 -0.44 -5.03 120.40 120.07 3fyx s VAL 148 Ca -0.06 -1.80 -0.28 0.00 0.00 0.00 0.00 61.98 59.83 3fyx s VAL 148 Cb 0.03 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3fyx s VAL 148 CO 0.30 -0.24 2.13 -1.81 0.00 0.00 0.00 175.10 175.47 3fyx s ASP 149 N 1.13 5.66 0.00 3.32 1.01 -1.26 -2.06 116.67 124.47 3fyx s ASP 149 Ca -0.02 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.17 3fyx s ASP 149 Cb -0.20 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3fyx s ASP 149 CO -0.05 -1.79 0.00 0.61 0.21 0.00 0.00 175.17 174.15 3fyx n GLY 150 N 5.53 0.75 3.47 0.21 0.00 -1.26 -4.86 105.19 109.02 3fyx n GLY 150 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3fyx n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fyx s LEU 151 N 0.00 4.97 0.06 0.99 2.96 -0.88 -2.25 118.68 124.53 3fyx s LEU 151 Ca 0.00 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3fyx s LEU 151 Cb 0.00 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 3fyx s LEU 151 CO 0.00 -0.59 -0.20 0.20 -1.32 0.00 0.00 176.35 174.44 3fyx s ASN 152 N 1.91 2.38 0.36 3.68 0.01 -0.35 0.31 114.94 123.24 3fyx s ASN 152 Ca 0.10 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 3fyx s ASN 152 Cb -0.18 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.28 3fyx s ASN 152 CO 0.12 0.11 0.16 0.72 -1.51 0.00 0.00 177.10 176.71 3fyx s PHE 153 N -0.91 1.73 -0.17 2.20 -0.71 -1.05 -0.33 117.98 118.75 3fyx s PHE 153 Ca 0.06 -1.36 -0.14 0.00 -1.04 0.00 0.00 56.93 54.45 3fyx s PHE 153 Cb -0.09 -1.00 0.05 0.00 -1.21 0.00 0.00 43.02 40.77 3fyx s PHE 153 CO 0.02 -0.45 0.44 0.00 -1.34 0.00 0.00 175.22 173.89 3fyx s ALA 154 N -3.37 -1.09 -0.16 1.99 0.00 0.13 -1.60 121.76 117.66 3fyx s ALA 154 Ca 0.31 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.58 3fyx s ALA 154 Cb 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3fyx s ALA 154 CO 0.18 -0.22 -0.18 0.54 0.00 0.00 0.00 175.76 176.08 3fyx s VAL 155 N 0.43 2.38 0.14 0.00 0.11 -0.11 -0.43 120.40 122.92 3fyx s VAL 155 Ca -0.02 -0.86 0.10 0.00 -2.93 0.00 0.00 61.98 58.27 3fyx s VAL 155 Cb -0.04 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 3fyx s VAL 155 CO -0.02 0.53 -0.22 -1.58 -3.33 0.00 0.00 175.10 170.48 3fyx s GLN 156 N 0.92 1.62 -0.15 1.54 0.74 0.17 -1.77 119.66 122.73 3fyx s GLN 156 Ca -0.04 -1.30 0.00 0.00 0.05 0.00 0.00 55.36 54.08 3fyx s GLN 156 Cb -0.15 -2.00 0.03 0.00 1.10 0.00 0.00 33.01 31.99 3fyx s GLN 156 CO -0.03 0.45 -0.12 0.71 -0.55 0.00 0.00 175.29 175.76 3fyx s TYR 157 N -1.22 2.05 -0.13 1.67 2.02 1.00 -0.68 117.35 122.05 3fyx s TYR 157 Ca 0.17 -1.18 -0.11 0.00 -0.37 0.00 0.00 57.07 55.59 3fyx s TYR 157 Cb -0.10 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 3fyx s TYR 157 CO 0.09 -0.65 0.23 -1.17 -1.57 0.00 0.00 175.55 172.48 3fyx s LEU 158 N 1.52 4.31 -0.24 -1.29 2.96 -0.64 -1.15 118.68 124.15 3fyx s LEU 158 Ca 0.04 0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 3fyx s LEU 158 Cb -0.13 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3fyx s LEU 158 CO -0.10 0.24 0.06 -0.83 -1.32 0.00 0.00 176.35 174.40 3fyx s GLY 159 N -0.22 1.76 -0.46 7.98 0.00 -0.50 -2.29 107.32 113.59 3fyx s GLY 159 Ca 0.15 -1.11 -0.36 0.00 0.00 0.00 0.00 44.72 43.40 3fyx s GLY 159 CO 0.04 0.50 1.84 1.17 0.00 0.00 0.00 173.10 176.65 3fyx n LYS 160 N 4.83 0.00 -3.44 2.90 4.81 -1.18 -4.82 118.16 121.27 3fyx n LYS 160 Ca -0.16 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.84 3fyx n LYS 160 Cb 0.51 -1.25 -0.07 0.00 0.02 0.00 0.00 35.03 34.24 3fyx n LYS 160 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3fyx s ASN 161 N 5.28 5.95 -0.51 3.14 0.01 0.65 -4.93 114.94 124.53 3fyx s ASN 161 Ca 1.02 -1.90 -0.22 0.00 -0.71 0.00 0.00 52.86 51.05 3fyx s ASN 161 Cb -1.23 -2.11 0.04 0.00 0.41 0.00 0.00 41.25 38.36 3fyx s ASN 161 CO 0.54 -0.76 0.81 -1.61 -1.51 0.00 0.00 177.10 174.56 3fyx s GLU 162 N 1.41 3.29 0.41 -0.60 2.02 -1.26 -1.02 118.70 122.95 3fyx s GLU 162 Ca 0.05 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.72 3fyx s GLU 162 Cb -0.27 -4.03 -0.05 0.00 0.10 0.00 0.00 34.13 29.87 3fyx s GLU 162 CO 0.01 -1.31 0.16 1.03 0.02 0.00 0.00 175.26 175.17 3fyx s ARG 163 N 3.39 2.21 0.62 1.61 0.52 -1.26 -5.02 118.95 121.02 3fyx s ARG 163 Ca 0.26 -1.84 0.33 0.00 -0.52 0.00 0.00 55.73 53.96 3fyx s ARG 163 Cb -0.14 -1.97 1.88 0.00 0.52 0.00 0.00 34.95 35.24 3fyx s ARG 163 CO 0.18 -0.09 2.17 -0.44 0.02 0.00 0.00 175.30 177.14 3fyx h ASP 164 N 1.47 0.00 -4.55 0.23 3.32 -1.98 -3.42 116.42 111.50 3fyx h ASP 164 Ca -0.43 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 55.92 3fyx h ASP 164 Cb 1.25 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.51 3fyx h ASP 164 CO 0.70 0.00 -0.88 -0.89 -1.72 0.00 0.00 179.24 176.45 3fyx s THR 165 N -4.43 2.10 0.14 0.35 2.01 -1.26 -5.04 115.64 109.51 3fyx s THR 165 Ca -0.05 -1.13 -0.13 0.00 0.31 0.00 0.00 61.69 60.70 3fyx s THR 165 Cb 0.14 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 3fyx s THR 165 CO 0.47 0.55 1.55 0.00 -0.69 0.00 0.00 174.62 176.50 3fyx h ALA 166 N 5.39 0.60 -0.92 7.40 0.00 -1.89 -0.38 119.26 129.47 3fyx h ALA 166 Ca -0.44 -0.33 0.26 0.00 0.00 0.00 0.00 54.91 54.40 3fyx h ALA 166 Cb 1.12 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 3fyx h ALA 166 CO 0.47 0.49 0.36 -0.09 0.00 0.00 0.00 179.25 180.48 3fyx h ARG 167 N 0.68 0.26 0.00 0.00 9.65 -1.94 -2.92 114.38 120.11 3fyx h ARG 167 Ca 0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3fyx h ARG 167 Cb 0.65 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 3fyx h ARG 167 CO 0.04 0.17 -1.82 0.54 2.80 0.00 0.00 179.97 181.70 3fyx n ARG 168 N -5.15 0.55 -1.25 0.20 5.12 -1.11 -4.69 116.66 110.32 3fyx n ARG 168 Ca 0.25 -0.16 -0.30 0.00 -1.93 0.00 0.00 57.85 55.71 3fyx n ARG 168 Cb 0.78 -1.52 0.22 0.00 -1.16 0.00 0.00 32.46 30.78 3fyx n ARG 168 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3fyx s SER 169 N -4.27 1.53 0.00 0.55 0.01 -0.17 -4.86 113.70 106.49 3fyx s SER 169 Ca -0.05 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.83 3fyx s SER 169 Cb 0.14 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.50 3fyx s SER 169 CO 0.90 -3.75 0.00 -0.46 0.41 0.00 0.00 173.24 170.34 3fyx n ASN 170 N -4.51 0.00 -0.07 2.44 6.94 -0.19 -4.81 115.26 115.07 3fyx n ASN 170 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 3fyx n ASN 170 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 3fyx n ASN 170 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fyx n GLY 171 N -0.15 1.95 3.74 4.83 0.00 -0.81 -0.25 105.19 114.49 3fyx n GLY 171 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3fyx n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fyx s ASP 172 N -0.99 6.87 0.25 1.61 1.01 -1.26 -3.08 116.67 121.09 3fyx s ASP 172 Ca 0.00 2.42 -0.13 0.00 0.71 0.00 0.00 52.55 55.55 3fyx s ASP 172 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 3fyx s ASP 172 CO 0.00 -0.55 0.49 -0.83 0.21 0.00 0.00 175.17 174.48 3fyx s GLY 173 N 0.39 0.54 0.08 0.21 0.00 -0.97 0.73 107.32 108.31 3fyx s GLY 173 Ca 0.57 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3fyx s GLY 173 CO 0.38 -0.62 -0.06 0.14 0.00 0.00 0.00 173.10 172.94 3fyx s VAL 174 N -3.98 0.61 0.26 1.40 1.01 -0.37 -1.62 120.40 117.72 3fyx s VAL 174 Ca 0.22 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 3fyx s VAL 174 Cb -0.01 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3fyx s VAL 174 CO 0.09 -0.81 0.61 -0.83 0.00 0.00 0.00 175.10 174.17 3fyx s GLY 175 N -2.78 0.17 0.30 4.51 0.00 0.14 -1.50 107.32 108.16 3fyx s GLY 175 Ca 0.07 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 3fyx s GLY 175 CO -0.04 -0.32 0.53 0.61 0.00 0.00 0.00 173.10 173.87 3fyx n GLY 176 N -0.42 1.67 3.63 0.20 0.00 0.35 0.45 105.19 111.06 3fyx n GLY 176 Ca -0.03 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 3fyx n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fyx s SER 177 N -2.69 -0.19 -0.06 1.61 1.04 0.43 -2.21 113.70 111.62 3fyx s SER 177 Ca 0.17 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.90 3fyx s SER 177 Cb -0.03 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3fyx s SER 177 CO 0.13 -0.12 -0.04 -0.63 0.98 0.00 0.00 173.24 173.56 3fyx s ILE 178 N -0.50 0.60 -0.04 -1.02 1.01 -0.46 0.18 121.20 120.97 3fyx s ILE 178 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.64 3fyx s ILE 178 Cb -0.03 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 3fyx s ILE 178 CO -0.08 0.26 -0.16 -0.94 0.00 0.00 0.00 174.94 174.02 3fyx s SER 179 N 1.29 2.04 -0.10 3.58 1.04 0.55 -1.00 113.70 121.11 3fyx s SER 179 Ca -0.05 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3fyx s SER 179 Cb -0.14 -0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.45 3fyx s SER 179 CO -0.02 0.15 -0.20 -0.47 0.98 0.00 0.00 173.24 173.67 3fyx s TYR 180 N 0.03 2.26 -0.65 5.02 5.04 -0.88 -1.21 117.35 126.96 3fyx s TYR 180 Ca -0.03 -0.96 0.06 0.00 -2.44 0.00 0.00 57.07 53.70 3fyx s TYR 180 Cb -0.11 -1.55 0.24 0.00 0.35 0.00 0.00 41.96 40.89 3fyx s TYR 180 CO 0.02 -0.42 0.72 0.39 -1.34 0.00 0.00 175.55 174.92 3fyx n GLU 181 N 3.72 2.45 -2.54 4.97 1.02 -0.96 -1.78 120.64 127.53 3fyx n GLU 181 Ca -0.20 -4.66 -0.41 0.00 -0.02 0.00 0.00 57.16 51.87 3fyx n GLU 181 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 3fyx n GLU 181 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3fyx s TYR 182 N -2.36 2.29 -0.64 -0.32 5.04 -0.72 -4.62 117.35 116.01 3fyx s TYR 182 Ca 0.38 -0.09 -0.07 0.00 -2.44 0.00 0.00 57.07 54.85 3fyx s TYR 182 Cb 0.13 -4.62 0.01 0.00 0.35 0.00 0.00 41.96 37.82 3fyx s TYR 182 CO -0.03 -2.07 0.66 -1.91 -1.34 0.00 0.00 175.55 170.85 3fyx n GLU 183 N 9.34 -1.69 0.00 4.97 2.13 -1.26 -2.96 120.64 131.17 3fyx n GLU 183 Ca 0.06 1.58 0.00 0.00 0.66 0.00 0.00 57.16 59.46 3fyx n GLU 183 Cb 0.49 -5.09 0.00 0.00 0.27 0.00 0.00 31.44 27.11 3fyx n GLU 183 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fyx n GLY 184 N -1.24 1.74 3.74 8.31 0.00 -1.26 -4.96 105.19 111.52 3fyx n GLY 184 Ca -0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3fyx n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyx s PHE 185 N -0.08 3.84 -0.03 1.61 0.08 -1.16 -0.63 117.98 121.62 3fyx s PHE 185 Ca 0.00 1.82 -0.01 0.00 0.12 0.00 0.00 56.93 58.86 3fyx s PHE 185 Cb 0.00 -3.07 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 3fyx s PHE 185 CO 0.00 0.14 0.03 0.20 -0.10 0.00 0.00 175.22 175.49 3fyx s GLY 186 N -0.64 0.16 -0.15 4.36 0.00 -1.02 -1.75 107.32 108.29 3fyx s GLY 186 Ca 0.44 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3fyx s GLY 186 CO 0.33 0.92 -0.15 -1.50 0.00 0.00 0.00 173.10 172.69 3fyx s ILE 187 N 1.44 2.73 -0.03 0.90 2.07 -0.73 -1.56 121.20 126.02 3fyx s ILE 187 Ca -0.04 -0.76 0.04 0.00 -1.41 0.00 0.00 60.65 58.48 3fyx s ILE 187 Cb -0.13 -2.15 -0.03 0.00 0.13 0.00 0.00 42.46 40.29 3fyx s ILE 187 CO -0.03 0.52 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.68 3fyx s VAL 188 N 0.68 3.01 0.04 4.00 1.01 -0.40 -2.08 120.40 126.66 3fyx s VAL 188 Ca -0.07 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.18 3fyx s VAL 188 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3fyx s VAL 188 CO 0.02 0.54 -0.25 -0.83 0.00 0.00 0.00 175.10 174.58 3fyx s GLY 189 N -0.88 1.32 -0.26 4.51 0.00 -0.17 -0.14 107.32 111.71 3fyx s GLY 189 Ca 0.12 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.44 3fyx s GLY 189 CO 0.02 -1.09 0.66 0.00 0.00 0.00 0.00 173.10 172.69 3fyx s ALA 190 N -0.78 -1.69 -0.07 3.20 0.00 -0.69 -1.36 121.76 120.38 3fyx s ALA 190 Ca 0.11 2.05 -0.09 0.00 0.00 0.00 0.00 51.96 54.03 3fyx s ALA 190 Cb -0.10 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.84 3fyx s ALA 190 CO 0.02 -0.33 0.23 -0.47 0.00 0.00 0.00 175.76 175.20 3fyx s TYR 191 N 0.88 -0.21 -0.17 0.00 5.04 -0.94 -0.73 117.35 121.23 3fyx s TYR 191 Ca -0.04 0.48 -0.12 0.00 -2.44 0.00 0.00 57.07 54.95 3fyx s TYR 191 Cb -0.05 0.07 0.05 0.00 0.35 0.00 0.00 41.96 42.38 3fyx s TYR 191 CO -0.07 -0.17 0.43 0.20 -1.34 0.00 0.00 175.55 174.59 3fyx s GLY 192 N -0.24 -0.34 0.09 8.97 0.00 -0.01 -0.50 107.32 115.30 3fyx s GLY 192 Ca -0.03 1.41 0.09 0.00 0.00 0.00 0.00 44.72 46.18 3fyx s GLY 192 CO 0.01 1.40 -0.22 0.00 0.00 0.00 0.00 173.10 174.28 3fyx s ALA 193 N 0.83 1.94 -0.04 3.20 0.00 -0.56 -1.46 121.76 125.67 3fyx s ALA 193 Ca -0.05 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 3fyx s ALA 193 Cb -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3fyx s ALA 193 CO -0.06 0.42 0.18 0.00 0.00 0.00 0.00 175.76 176.29 3fyx s ALA 194 N -1.04 -0.44 0.46 0.00 0.00 -0.61 -1.23 121.76 118.90 3fyx s ALA 194 Ca 0.09 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 3fyx s ALA 194 Cb -0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 3fyx s ALA 194 CO 0.04 -0.14 1.34 -0.51 0.00 0.00 0.00 175.76 176.49 3fyx s ASP 195 N -0.46 5.91 0.08 0.00 1.01 0.22 -1.70 116.67 121.73 3fyx s ASP 195 Ca -0.06 2.72 -0.04 0.00 0.71 0.00 0.00 52.55 55.89 3fyx s ASP 195 Cb -0.04 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 3fyx s ASP 195 CO 0.01 -1.13 0.29 -0.13 0.21 0.00 0.00 175.17 174.41 3fyx s ARG 196 N -2.52 3.54 0.45 8.23 0.52 -1.20 -1.93 118.95 126.04 3fyx s ARG 196 Ca 0.63 -0.21 -0.21 0.00 -0.52 0.00 0.00 55.73 55.41 3fyx s ARG 196 Cb -0.39 -2.98 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 3fyx s ARG 196 CO 0.49 0.57 1.02 0.95 0.02 0.00 0.00 175.30 178.35 3fyx s THR 197 N -1.51 3.89 0.53 0.02 -4.23 -1.26 -4.77 115.64 108.31 3fyx s THR 197 Ca 0.35 1.25 0.20 0.00 -1.18 0.00 0.00 61.69 62.32 3fyx s THR 197 Cb -0.13 -3.55 0.31 0.00 1.34 0.00 0.00 72.50 70.48 3fyx s THR 197 CO 0.23 -0.18 2.12 0.78 -0.54 0.00 0.00 174.62 177.03 3fyx h ASN 198 N 1.90 0.00 -0.40 3.99 2.35 -1.98 -0.56 115.58 120.88 3fyx h ASN 198 Ca -0.49 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.11 3fyx h ASN 198 Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3fyx h ASN 198 CO 0.60 0.00 -0.33 0.25 -1.65 0.00 0.00 177.43 176.30 3fyx h LEU 199 N 0.00 0.98 -1.25 1.61 5.85 -1.95 -1.56 115.31 118.99 3fyx h LEU 199 Ca 0.06 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3fyx h LEU 199 Cb 0.27 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3fyx h LEU 199 CO -0.00 1.22 0.21 1.56 -0.34 0.00 0.00 178.44 181.10 3fyx h GLN 200 N 0.75 0.73 0.00 1.25 4.20 -1.48 -2.91 115.11 117.66 3fyx h GLN 200 Ca 0.07 -0.10 -0.19 0.00 0.06 0.00 0.00 58.65 58.49 3fyx h GLN 200 Cb 0.92 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3fyx h GLN 200 CO 0.09 0.60 -0.86 0.93 -0.67 0.00 0.00 178.83 178.92 3fyx h GLU 201 N 0.73 0.16 -1.27 1.46 5.08 -1.04 -2.94 114.58 116.77 3fyx h GLU 201 Ca 0.18 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3fyx h GLU 201 Cb 0.13 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 3fyx h GLU 201 CO -0.02 0.92 0.17 0.00 -1.00 0.00 0.00 179.01 179.08 3fyx n ALA 202 N -2.45 3.68 -2.48 3.43 0.00 -0.60 -4.85 120.51 117.24 3fyx n ALA 202 Ca -0.03 -0.71 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 3fyx n ALA 202 Cb 0.80 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 3fyx n ALA 202 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fyx s GLN 203 N -0.79 3.70 -0.02 0.00 -1.52 -1.11 -5.01 119.66 114.90 3fyx s GLN 203 Ca 0.14 0.12 -0.24 0.00 -1.95 0.00 0.00 55.36 53.42 3fyx s GLN 203 Cb 0.11 -2.65 -0.20 0.00 -0.22 0.00 0.00 33.01 30.06 3fyx s GLN 203 CO 0.02 0.25 1.20 -1.35 -0.25 0.00 0.00 175.29 175.16 3fyx h PRO 204 N 2.03 0.13 -5.88 2.91 0.11 -1.89 -3.43 132.00 125.98 3fyx h PRO 204 Ca -0.47 -0.08 -0.58 0.00 0.11 0.00 0.00 66.00 64.98 3fyx h PRO 204 Cb 1.18 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3fyx h PRO 204 CO 0.67 0.68 0.22 -0.51 -0.21 0.00 0.00 178.00 178.86 3fyx s LEU 205 N -8.98 4.20 0.00 2.35 1.43 -1.18 -4.90 118.68 111.60 3fyx s LEU 205 Ca -0.16 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3fyx s LEU 205 Cb 0.02 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3fyx s LEU 205 CO 0.71 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.62 3fyx n GLY 206 N 3.47 2.80 3.09 -3.19 0.00 -0.92 -1.58 105.19 108.87 3fyx n GLY 206 Ca 0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 3fyx n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyx s ASN 207 N 0.00 0.11 0.00 1.61 3.84 -1.26 -4.87 114.94 114.38 3fyx s ASN 207 Ca 0.00 0.66 0.00 0.00 0.21 0.00 0.00 52.86 53.73 3fyx s ASN 207 Cb 0.00 1.05 0.00 0.00 -0.55 0.00 0.00 41.25 41.75 3fyx s ASN 207 CO 0.00 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.67 3fyx n GLY 208 N 5.37 2.42 1.41 1.21 0.00 -1.26 -4.89 105.19 109.45 3fyx n GLY 208 Ca -0.07 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.09 3fyx n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fyx n LYS 209 N -0.88 3.32 -3.63 1.61 5.02 -1.26 -4.90 118.16 117.44 3fyx n LYS 209 Ca 0.00 -2.49 -0.11 0.00 -2.02 0.00 0.00 58.31 53.70 3fyx n LYS 209 Cb 0.00 -1.79 -0.07 0.00 -0.02 0.00 0.00 35.03 33.15 3fyx n LYS 209 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fyx s LYS 210 N -1.75 0.69 0.03 1.97 2.47 -1.26 -3.23 119.74 118.65 3fyx s LYS 210 Ca 0.45 0.89 0.02 0.00 -1.56 0.00 0.00 55.97 55.76 3fyx s LYS 210 Cb 0.28 0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 36.92 3fyx s LYS 210 CO 0.22 -0.09 0.05 0.00 0.16 0.00 0.00 175.35 175.69 3fyx s ALA 211 N 0.57 3.45 -0.01 3.13 0.00 -0.69 -4.62 121.76 123.59 3fyx s ALA 211 Ca -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3fyx s ALA 211 Cb -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3fyx s ALA 211 CO -0.05 0.69 -0.02 -1.21 0.00 0.00 0.00 175.76 175.17 3fyx s GLU 212 N -1.89 0.21 -0.09 0.00 2.02 -0.28 -1.57 118.70 117.10 3fyx s GLU 212 Ca 0.24 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 3fyx s GLU 212 Cb -0.12 -0.25 0.04 0.00 0.10 0.00 0.00 34.13 33.90 3fyx s GLU 212 CO 0.15 0.01 0.05 -0.65 0.02 0.00 0.00 175.26 174.85 3fyx s GLN 213 N 0.18 0.17 0.02 1.61 -0.21 -0.53 -0.03 119.66 120.86 3fyx s GLN 213 Ca -0.01 0.13 0.04 0.00 0.02 0.00 0.00 55.36 55.54 3fyx s GLN 213 Cb -0.04 -1.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 3fyx s GLN 213 CO -0.00 -0.44 -0.12 1.67 -2.12 0.00 0.00 175.29 174.28 3fyx s TRP 214 N 2.09 1.07 -0.06 0.91 1.48 -1.08 -0.83 118.94 122.52 3fyx s TRP 214 Ca 0.04 -0.29 -0.07 0.00 -1.06 0.00 0.00 56.10 54.72 3fyx s TRP 214 Cb -0.14 -0.66 0.02 0.00 -1.16 0.00 0.00 33.47 31.53 3fyx s TRP 214 CO -0.05 0.00 0.18 0.00 -4.06 0.00 0.00 176.95 173.02 3fyx s ALA 215 N -0.64 -0.45 0.09 2.67 0.00 0.09 -1.18 121.76 122.35 3fyx s ALA 215 Ca 0.02 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3fyx s ALA 215 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3fyx s ALA 215 CO 0.00 -0.11 0.15 0.95 0.00 0.00 0.00 175.76 176.75 3fyx s THR 216 N -0.19 4.90 0.03 0.00 -4.23 0.20 -1.70 115.64 114.65 3fyx s THR 216 Ca -0.03 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 3fyx s THR 216 Cb -0.03 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 3fyx s THR 216 CO 0.01 0.08 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.30 3fyx s GLY 217 N -2.59 0.35 -0.02 3.99 0.00 0.80 -2.07 107.32 107.77 3fyx s GLY 217 Ca 0.32 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 3fyx s GLY 217 CO 0.25 -0.87 0.15 -2.27 0.00 0.00 0.00 173.10 170.36 3fyx s LEU 218 N -1.89 1.46 0.09 0.66 2.96 -0.59 -1.28 118.68 120.10 3fyx s LEU 218 Ca -0.09 -0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 3fyx s LEU 218 Cb -0.05 0.66 0.02 0.00 0.50 0.00 0.00 46.19 47.33 3fyx s LEU 218 CO -0.03 -0.27 0.34 -1.59 -1.32 0.00 0.00 176.35 173.48 3fyx s LYS 219 N -0.88 0.95 -0.24 1.98 -2.85 -0.60 -0.51 119.74 117.60 3fyx s LYS 219 Ca -0.10 -0.66 -0.01 0.00 -1.00 0.00 0.00 55.97 54.20 3fyx s LYS 219 Cb -0.05 0.41 0.07 0.00 -2.06 0.00 0.00 37.83 36.20 3fyx s LYS 219 CO 0.01 -0.34 0.02 -0.47 0.10 0.00 0.00 175.35 174.67 3fyx s TYR 220 N -3.36 1.73 -0.55 1.78 5.04 0.12 -2.44 117.35 119.66 3fyx s TYR 220 Ca 0.00 -1.42 -0.04 0.00 -2.44 0.00 0.00 57.07 53.17 3fyx s TYR 220 Cb 0.02 -1.42 0.14 0.00 0.35 0.00 0.00 41.96 41.05 3fyx s TYR 220 CO -0.09 -0.73 0.38 0.34 -1.34 0.00 0.00 175.55 174.11 3fyx s ASP 221 N 1.62 5.41 -0.11 4.32 -1.08 0.20 -2.75 116.67 124.28 3fyx s ASP 221 Ca -0.00 -2.47 -0.32 0.00 -0.52 0.00 0.00 52.55 49.24 3fyx s ASP 221 Cb -0.18 -1.89 0.12 0.00 -1.46 0.00 0.00 42.92 39.51 3fyx s ASP 221 CO -0.11 -0.48 1.06 0.00 0.52 0.00 0.00 175.17 176.16 3fyx s ALA 222 N 0.51 -1.96 -1.18 3.66 0.00 -1.15 -4.39 121.76 117.26 3fyx s ALA 222 Ca 0.13 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3fyx s ALA 222 Cb -0.21 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3fyx s ALA 222 CO -0.04 -0.61 0.00 0.09 0.00 0.00 0.00 175.76 175.21 3fyx n ASN 223 N -0.08 -4.07 -0.23 0.00 5.03 -1.26 0.15 115.26 114.80 3fyx n ASN 223 Ca -0.04 0.19 -0.03 0.00 0.87 0.00 0.00 54.58 55.57 3fyx n ASN 223 Cb 0.60 -3.48 -0.01 0.00 -1.02 0.00 0.00 39.78 35.86 3fyx n ASN 223 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3fyx n ASN 224 N -1.67 -3.71 -4.74 6.41 3.02 -1.26 -4.94 115.26 108.38 3fyx n ASN 224 Ca -0.16 0.08 -0.35 0.00 -0.03 0.00 0.00 54.58 54.12 3fyx n ASN 224 Cb 0.60 -1.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.21 3fyx n ASN 224 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fyx s ILE 225 N -2.00 4.89 -0.24 2.41 1.01 0.12 -0.18 121.20 127.21 3fyx s ILE 225 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3fyx s ILE 225 Cb 0.00 -3.13 0.06 0.00 0.01 0.00 0.00 42.46 39.40 3fyx s ILE 225 CO 0.00 0.56 -0.04 -0.47 0.00 0.00 0.00 174.94 174.99 3fyx s TYR 226 N -0.53 2.41 -0.09 3.97 5.04 0.15 -2.95 117.35 125.35 3fyx s TYR 226 Ca 0.11 -1.79 0.02 0.00 -2.44 0.00 0.00 57.07 52.96 3fyx s TYR 226 Cb -0.12 -1.62 -0.02 0.00 0.35 0.00 0.00 41.96 40.55 3fyx s TYR 226 CO 0.02 -0.78 -0.15 -0.51 -1.34 0.00 0.00 175.55 172.79 3fyx s LEU 227 N 1.39 2.63 -0.09 6.97 1.43 -1.11 0.35 118.68 130.25 3fyx s LEU 227 Ca -0.05 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 3fyx s LEU 227 Cb -0.19 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.52 3fyx s LEU 227 CO -0.07 0.24 0.46 0.00 0.23 0.00 0.00 176.35 177.21 3fyx s ALA 228 N -0.07 -1.16 0.05 4.21 0.00 -0.31 0.13 121.76 124.59 3fyx s ALA 228 Ca -0.03 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.92 3fyx s ALA 228 Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3fyx s ALA 228 CO 0.04 -0.27 -0.14 0.00 0.00 0.00 0.00 175.76 175.39 3fyx s ALA 229 N -0.69 1.15 -0.03 0.00 0.00 0.34 -0.08 121.76 122.46 3fyx s ALA 229 Ca -0.08 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3fyx s ALA 229 Cb -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3fyx s ALA 229 CO 0.04 0.20 -0.01 -0.80 0.00 0.00 0.00 175.76 175.19 3fyx s ASN 230 N -1.32 0.47 -0.16 0.00 0.02 0.21 -1.53 114.94 112.63 3fyx s ASN 230 Ca 0.00 -0.04 0.01 0.00 -1.02 0.00 0.00 52.86 51.81 3fyx s ASN 230 Cb -0.08 -0.24 0.01 0.00 0.02 0.00 0.00 41.25 40.95 3fyx s ASN 230 CO 0.02 -0.09 -0.18 -0.47 0.02 0.00 0.00 177.10 176.40 3fyx s TYR 231 N 0.94 2.76 0.22 2.20 5.04 -0.88 -1.91 117.35 125.72 3fyx s TYR 231 Ca -0.10 -1.29 0.05 0.00 -2.44 0.00 0.00 57.07 53.29 3fyx s TYR 231 Cb -0.13 -1.89 -0.05 0.00 0.35 0.00 0.00 41.96 40.24 3fyx s TYR 231 CO -0.01 -0.61 -0.06 0.20 -1.34 0.00 0.00 175.55 173.72 3fyx s GLY 232 N 0.99 1.48 -0.19 8.97 0.00 -0.30 -0.63 107.32 117.64 3fyx s GLY 232 Ca -0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 44.72 42.94 3fyx s GLY 232 CO -0.04 -1.70 0.31 -0.54 0.00 0.00 0.00 173.10 171.13 3fyx s GLU 233 N -3.77 0.25 -0.16 2.90 2.02 -0.32 -1.34 118.70 118.26 3fyx s GLU 233 Ca 0.25 0.61 -0.07 0.00 0.02 0.00 0.00 54.97 55.78 3fyx s GLU 233 Cb 0.04 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 33.85 3fyx s GLU 233 CO 0.07 -0.47 0.07 0.95 0.02 0.00 0.00 175.26 175.90 3fyx s THR 234 N 2.47 4.84 -0.23 3.63 -4.23 -0.44 -2.64 115.64 119.03 3fyx s THR 234 Ca 0.05 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.50 3fyx s THR 234 Cb -0.14 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 3fyx s THR 234 CO -0.12 0.49 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.30 3fyx s ARG 235 N 0.07 3.41 -0.84 3.99 1.81 0.96 0.15 118.95 128.49 3fyx s ARG 235 Ca 0.06 -0.61 -0.01 0.00 -1.72 0.00 0.00 55.73 53.44 3fyx s ARG 235 Cb -0.12 -3.05 0.01 0.00 -0.45 0.00 0.00 34.95 31.34 3fyx s ARG 235 CO 0.01 -0.20 0.06 0.09 -0.68 0.00 0.00 175.30 174.58 3fyx n ASN 236 N 4.81 -3.18 -0.01 0.23 3.02 0.63 -1.12 115.26 119.64 3fyx n ASN 236 Ca -0.18 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.55 3fyx n ASN 236 Cb 0.51 -2.73 -0.01 0.00 -0.61 0.00 0.00 39.78 36.94 3fyx n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fyx n ALA 237 N -2.45 2.22 -1.82 5.41 0.00 -1.09 -4.60 120.51 118.18 3fyx n ALA 237 Ca -0.10 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 3fyx n ALA 237 Cb 0.58 0.47 -0.05 0.00 0.00 0.00 0.00 19.45 20.45 3fyx n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fyx s THR 238 N -2.03 3.81 0.19 0.00 2.01 -1.26 -4.89 115.64 113.46 3fyx s THR 238 Ca -0.02 1.77 -0.14 0.00 0.31 0.00 0.00 61.69 63.60 3fyx s THR 238 Cb 0.01 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 3fyx s THR 238 CO 0.03 0.40 0.59 -2.16 -0.69 0.00 0.00 174.62 172.80 3fyx s PRO 239 N -1.14 4.00 0.12 4.92 0.04 -1.26 -0.13 135.00 141.55 3fyx s PRO 239 Ca 0.44 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 3fyx s PRO 239 Cb -0.29 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3fyx s PRO 239 CO 0.36 0.41 0.25 0.96 0.04 0.00 0.00 177.00 179.03 3fyx s ILE 240 N -1.58 0.11 -0.07 0.56 -4.36 -0.12 -4.83 121.20 110.91 3fyx s ILE 240 Ca 0.42 -1.16 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 3fyx s ILE 240 Cb -0.14 -1.48 0.03 0.00 1.25 0.00 0.00 42.46 42.12 3fyx s ILE 240 CO 0.20 -0.49 -0.01 -0.89 0.24 0.00 0.00 174.94 173.99 3fyx s THR 241 N -3.89 0.46 -0.52 8.37 2.01 -1.26 -2.18 115.64 118.63 3fyx s THR 241 Ca 0.09 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.87 3fyx s THR 241 Cb 0.04 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 3fyx s THR 241 CO -0.08 0.27 1.69 0.21 -0.69 0.00 0.00 174.62 176.02 3fyx s ASN 242 N 1.84 5.73 0.41 3.53 3.84 0.63 -4.78 114.94 126.14 3fyx s ASN 242 Ca 0.03 0.58 0.21 0.00 0.21 0.00 0.00 52.86 53.89 3fyx s ASN 242 Cb -0.12 -2.53 0.83 0.00 -0.55 0.00 0.00 41.25 38.87 3fyx s ASN 242 CO -0.05 -1.97 1.80 0.11 -2.79 0.00 0.00 177.10 174.20 3fyx h LYS 243 N 13.06 0.00 0.02 0.43 1.57 -1.77 0.13 116.57 130.01 3fyx h LYS 243 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3fyx h LYS 243 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3fyx h LYS 243 CO 1.15 0.30 -0.01 0.74 -0.57 0.00 0.00 179.45 181.07 3fyx h PHE 244 N 0.00 -0.02 0.00 -1.35 0.04 -1.89 -3.30 116.94 110.42 3fyx h PHE 244 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fyx h PHE 244 Cb 0.79 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.94 3fyx h PHE 244 CO 0.00 -0.01 0.00 0.25 -0.60 0.00 0.00 178.31 177.95 3fyx n THR 245 N -2.11 0.00 -3.16 -1.55 -2.24 -1.25 -4.88 114.28 99.09 3fyx n THR 245 Ca -0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3fyx n THR 245 Cb 0.01 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 3fyx n THR 245 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fyx n ASN 246 N -0.39 -3.39 -4.88 3.42 4.13 0.24 -4.95 115.26 109.44 3fyx n ASN 246 Ca 0.00 -0.23 -0.31 0.00 1.68 0.00 0.00 54.58 55.71 3fyx n ASN 246 Cb 0.05 -2.84 -0.05 0.00 -1.54 0.00 0.00 39.78 35.40 3fyx n ASN 246 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3fyx s THR 247 N -2.79 5.00 0.31 3.41 2.01 0.04 -4.90 115.64 118.71 3fyx s THR 247 Ca 0.31 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.66 3fyx s THR 247 Cb -0.16 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 3fyx s THR 247 CO 0.38 -0.09 0.02 -0.44 -0.69 0.00 0.00 174.62 173.79 3fyx s SER 248 N -2.52 2.56 0.00 3.53 0.01 -1.26 -0.27 113.70 115.75 3fyx s SER 248 Ca 0.45 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.40 3fyx s SER 248 Cb -0.11 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3fyx s SER 248 CO 0.23 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.97 3fyx n GLY 249 N -0.66 0.41 3.03 3.44 0.00 -0.93 -3.13 105.19 107.35 3fyx n GLY 249 Ca -0.03 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 3fyx n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyx s PHE 250 N -1.25 0.61 0.02 1.61 0.40 -0.61 -0.94 117.98 117.81 3fyx s PHE 250 Ca 0.00 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.68 3fyx s PHE 250 Cb 0.00 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 3fyx s PHE 250 CO 0.00 -0.05 1.09 0.00 0.70 0.00 0.00 175.22 176.95 3fyx s ALA 251 N -0.92 3.29 0.28 5.36 0.00 0.82 -2.15 121.76 128.43 3fyx s ALA 251 Ca -0.06 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3fyx s ALA 251 Cb -0.07 -3.40 0.62 0.00 0.00 0.00 0.00 23.12 20.27 3fyx s ALA 251 CO 0.00 -0.36 1.76 -0.91 0.00 0.00 0.00 175.76 176.25 3fyx h ASN 252 N 6.85 0.60 -4.16 0.00 2.35 -1.78 -2.23 115.58 117.22 3fyx h ASN 252 Ca -0.40 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.35 3fyx h ASN 252 Cb 1.21 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.36 3fyx h ASN 252 CO 0.79 0.22 -0.13 -0.75 -1.65 0.00 0.00 177.43 175.91 3fyx s LYS 253 N -5.93 0.63 -0.01 0.81 2.36 -1.23 0.23 119.74 116.61 3fyx s LYS 253 Ca -0.12 0.53 0.03 0.00 -2.55 0.00 0.00 55.97 53.86 3fyx s LYS 253 Cb 0.23 0.30 -0.01 0.00 -1.05 0.00 0.00 37.83 37.31 3fyx s LYS 253 CO 0.79 -0.11 -0.09 0.95 1.55 0.00 0.00 175.35 178.44 3fyx s THR 254 N -0.08 0.71 -0.17 3.43 -4.23 0.39 -1.68 115.64 114.01 3fyx s THR 254 Ca -0.03 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 3fyx s THR 254 Cb -0.03 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 3fyx s THR 254 CO 0.02 0.20 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.19 3fyx s GLN 255 N -0.19 3.74 -0.04 3.99 -0.21 -0.81 -1.33 119.66 124.80 3fyx s GLN 255 Ca 0.03 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 54.97 3fyx s GLN 255 Cb -0.04 -3.00 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 3fyx s GLN 255 CO -0.00 0.23 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.73 3fyx s ASP 256 N 0.43 1.95 -0.09 5.90 1.01 -0.45 -1.79 116.67 123.62 3fyx s ASP 256 Ca -0.02 -0.32 -0.00 0.00 0.71 0.00 0.00 52.55 52.92 3fyx s ASP 256 Cb -0.14 -0.56 0.02 0.00 1.01 0.00 0.00 42.92 43.25 3fyx s ASP 256 CO 0.02 0.13 -0.06 -0.69 0.21 0.00 0.00 175.17 174.78 3fyx s VAL 257 N 0.11 0.81 -0.05 -1.27 1.01 0.79 -1.15 120.40 120.65 3fyx s VAL 257 Ca -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3fyx s VAL 257 Cb -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3fyx s VAL 257 CO 0.02 0.33 -0.12 -0.76 0.00 0.00 0.00 175.10 174.56 3fyx s LEU 258 N 1.64 1.72 -0.03 3.92 2.01 -0.80 -0.96 118.68 126.18 3fyx s LEU 258 Ca 0.02 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 53.90 3fyx s LEU 258 Cb -0.13 -0.79 0.01 0.00 0.01 0.00 0.00 46.19 45.29 3fyx s LEU 258 CO -0.06 0.06 -0.08 -0.76 1.01 0.00 0.00 176.35 176.52 3fyx s LEU 259 N 0.45 1.69 -0.03 1.79 1.43 -0.48 0.66 118.68 124.20 3fyx s LEU 259 Ca -0.10 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3fyx s LEU 259 Cb -0.13 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.55 3fyx s LEU 259 CO 0.03 0.04 -0.12 -0.69 0.23 0.00 0.00 176.35 175.84 3fyx s VAL 260 N 0.36 1.01 -0.12 -1.59 1.01 0.89 -1.29 120.40 120.66 3fyx s VAL 260 Ca -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3fyx s VAL 260 Cb -0.10 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3fyx s VAL 260 CO 0.01 0.30 -0.13 0.00 0.00 0.00 0.00 175.10 175.28 3fyx s ALA 261 N 0.12 1.65 -0.07 5.51 0.00 0.25 -1.17 121.76 128.06 3fyx s ALA 261 Ca -0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 3fyx s ALA 261 Cb -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.12 3fyx s ALA 261 CO 0.01 -0.26 0.18 -0.65 0.00 0.00 0.00 175.76 175.04 3fyx s GLN 262 N 1.32 0.21 -0.02 0.00 -0.21 0.15 0.04 119.66 121.16 3fyx s GLN 262 Ca -0.00 0.26 0.07 0.00 0.02 0.00 0.00 55.36 55.71 3fyx s GLN 262 Cb -0.14 0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 3fyx s GLN 262 CO -0.06 -0.03 -0.22 -0.47 -2.12 0.00 0.00 175.29 172.38 3fyx s TYR 263 N 0.12 2.01 -0.39 0.91 5.04 -1.13 0.30 117.35 124.21 3fyx s TYR 263 Ca -0.00 -0.38 -0.15 0.00 -2.44 0.00 0.00 57.07 54.10 3fyx s TYR 263 Cb -0.01 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 41.01 3fyx s TYR 263 CO 0.00 -0.03 0.29 -1.14 -1.34 0.00 0.00 175.55 173.34 3fyx s GLN 264 N -0.55 3.16 0.42 4.97 2.00 0.75 -3.12 119.66 127.30 3fyx s GLN 264 Ca 0.09 -0.86 -0.22 0.00 -2.00 0.00 0.00 55.36 52.36 3fyx s GLN 264 Cb -0.09 -3.92 -0.10 0.00 0.80 0.00 0.00 33.01 29.71 3fyx s GLN 264 CO -0.01 -0.65 1.00 -0.06 -0.50 0.00 0.00 175.29 175.07 3fyx s PHE 265 N 1.74 3.28 0.12 1.67 0.08 -0.56 -4.85 117.98 119.45 3fyx s PHE 265 Ca 0.06 1.64 -0.26 0.00 0.12 0.00 0.00 56.93 58.49 3fyx s PHE 265 Cb -0.18 -3.00 -0.05 0.00 -0.57 0.00 0.00 43.02 39.22 3fyx s PHE 265 CO 0.10 -0.39 1.63 -0.44 -0.10 0.00 0.00 175.22 176.02 3fyx h ASP 266 N 2.18 -0.78 0.16 1.36 5.19 -1.98 -2.52 116.42 120.03 3fyx h ASP 266 Ca -0.49 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 3fyx h ASP 266 Cb 1.20 0.32 -0.00 0.00 0.18 0.00 0.00 39.33 41.03 3fyx h ASP 266 CO 0.61 -0.33 -0.10 2.19 -3.12 0.00 0.00 179.24 178.49 3fyx h PHE 267 N -0.41 0.00 0.00 4.55 -0.00 -1.96 -3.46 116.94 115.66 3fyx h PHE 267 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.03 3fyx h PHE 267 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.44 3fyx h PHE 267 CO -0.29 0.10 0.00 0.41 -0.00 0.00 0.00 178.31 178.52 3fyx n GLY 268 N -1.09 2.25 3.64 6.09 0.00 -0.95 -4.90 105.19 110.23 3fyx n GLY 268 Ca -0.02 -0.24 -0.53 0.00 0.00 0.00 0.00 46.02 45.23 3fyx n GLY 268 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fyx n LEU 269 N 0.00 2.06 -4.06 0.99 7.94 -1.26 -3.43 117.00 119.23 3fyx n LEU 269 Ca 0.00 1.10 -0.35 0.00 -1.11 0.00 0.00 56.01 55.65 3fyx n LEU 269 Cb 0.00 -1.20 -0.10 0.00 0.53 0.00 0.00 43.42 42.64 3fyx n LEU 269 CO 0.00 -0.76 0.01 -0.60 -1.11 0.00 0.00 177.39 174.92 3fyx s ARG 270 N 1.56 2.48 0.53 1.96 3.52 0.32 -1.50 118.95 127.81 3fyx s ARG 270 Ca 0.88 -2.61 -0.20 0.00 -0.13 0.00 0.00 55.73 53.67 3fyx s ARG 270 Cb -0.95 -3.65 -0.06 0.00 -1.56 0.00 0.00 34.95 28.73 3fyx s ARG 270 CO 0.52 -1.17 1.15 -1.25 -0.81 0.00 0.00 175.30 173.74 3fyx s PRO 271 N -0.22 3.42 -0.09 5.12 0.04 -1.18 -1.83 135.00 140.26 3fyx s PRO 271 Ca 0.18 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 3fyx s PRO 271 Cb -0.21 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3fyx s PRO 271 CO -0.03 -0.81 0.09 0.45 0.04 0.00 0.00 177.00 176.74 3fyx s SER 272 N -1.63 1.43 -0.13 6.66 0.15 0.25 -2.85 113.70 117.59 3fyx s SER 272 Ca 0.71 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.27 3fyx s SER 272 Cb -0.26 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 3fyx s SER 272 CO 0.30 -0.28 -0.16 -0.63 1.20 0.00 0.00 173.24 173.67 3fyx s ILE 273 N 2.19 2.75 0.26 6.45 -1.09 0.11 -1.87 121.20 130.00 3fyx s ILE 273 Ca 0.04 -0.76 -0.13 0.00 -2.23 0.00 0.00 60.65 57.57 3fyx s ILE 273 Cb -0.13 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 3fyx s ILE 273 CO -0.06 0.53 0.52 0.00 -1.23 0.00 0.00 174.94 174.70 3fyx s ALA 274 N 0.51 -0.29 -0.11 9.38 0.00 -0.80 0.86 121.76 131.30 3fyx s ALA 274 Ca -0.11 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 3fyx s ALA 274 Cb -0.16 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.03 3fyx s ALA 274 CO 0.04 -0.88 0.37 -0.47 0.00 0.00 0.00 175.76 174.82 3fyx s TYR 275 N -3.87 -0.37 -0.08 0.00 5.04 -0.42 0.22 117.35 117.88 3fyx s TYR 275 Ca 0.22 0.85 -0.03 0.00 -2.44 0.00 0.00 57.07 55.66 3fyx s TYR 275 Cb -0.01 0.14 0.04 0.00 0.35 0.00 0.00 41.96 42.48 3fyx s TYR 275 CO 0.10 -0.25 0.17 0.99 -1.34 0.00 0.00 175.55 175.22 3fyx s THR 276 N -0.15 -0.14 -0.05 4.34 2.01 -1.04 -1.38 115.64 119.23 3fyx s THR 276 Ca -0.03 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 3fyx s THR 276 Cb -0.03 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.22 3fyx s THR 276 CO 0.01 0.10 0.02 -0.75 -0.69 0.00 0.00 174.62 173.32 3fyx s LYS 277 N 1.64 0.29 -0.08 4.92 2.20 -0.13 -2.36 119.74 126.21 3fyx s LYS 277 Ca -0.05 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 3fyx s LYS 277 Cb -0.12 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.50 3fyx s LYS 277 CO -0.06 -0.26 -0.09 0.45 -0.36 0.00 0.00 175.35 175.02 3fyx s SER 278 N 1.77 4.43 0.01 1.43 0.15 0.45 -0.15 113.70 121.79 3fyx s SER 278 Ca 0.01 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.56 3fyx s SER 278 Cb -0.13 -1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 63.00 3fyx s SER 278 CO -0.03 0.32 -0.03 -1.59 1.20 0.00 0.00 173.24 173.11 3fyx s LYS 279 N -0.57 0.23 -0.36 5.44 -2.85 -0.74 -1.25 119.74 119.64 3fyx s LYS 279 Ca 0.08 -0.26 -0.09 0.00 -1.00 0.00 0.00 55.97 54.70 3fyx s LYS 279 Cb -0.12 -0.11 0.03 0.00 -2.06 0.00 0.00 37.83 35.58 3fyx s LYS 279 CO 0.02 0.02 0.17 0.00 0.10 0.00 0.00 175.35 175.66 3fyx s ALA 280 N -0.50 3.20 0.22 0.59 0.00 0.11 -1.93 121.76 123.45 3fyx s ALA 280 Ca -0.04 -1.72 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 3fyx s ALA 280 Cb -0.04 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.52 3fyx s ALA 280 CO -0.00 -1.35 0.92 0.15 0.00 0.00 0.00 175.76 175.48 3fyx s LYS 281 N 1.50 4.82 -1.19 0.00 1.02 -0.68 -1.62 119.74 123.59 3fyx s LYS 281 Ca 0.01 1.45 -0.02 0.00 0.02 0.00 0.00 55.97 57.43 3fyx s LYS 281 Cb -0.19 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3fyx s LYS 281 CO 0.05 0.51 0.90 -0.25 -0.92 0.00 0.00 175.35 175.65 3fyx n ASP 282 N 1.58 -2.83 -4.84 2.83 8.00 0.11 -3.52 116.55 117.88 3fyx n ASP 282 Ca -0.02 -0.70 -0.34 0.00 0.71 0.00 0.00 54.79 54.44 3fyx n ASP 282 Cb 0.47 -4.82 -0.06 0.00 -0.02 0.00 0.00 41.12 36.70 3fyx n ASP 282 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fyx s VAL 283 N -3.44 4.64 -0.19 2.53 1.01 0.67 -4.46 120.40 121.16 3fyx s VAL 283 Ca 0.11 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 3fyx s VAL 283 Cb -0.02 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3fyx s VAL 283 CO 0.76 -0.06 1.40 -1.83 0.00 0.00 0.00 175.10 175.37 3fyx s GLU 284 N -2.66 4.06 0.00 2.72 1.03 -1.26 -1.45 118.70 121.14 3fyx s GLU 284 Ca 0.51 1.63 0.00 0.00 0.03 0.00 0.00 54.97 57.14 3fyx s GLU 284 Cb -0.12 -3.88 0.00 0.00 -0.80 0.00 0.00 34.13 29.33 3fyx s GLU 284 CO 0.18 -0.95 0.00 0.41 -1.33 0.00 0.00 175.26 173.58 3fyx n GLY 285 N 4.07 2.82 0.03 -3.83 0.00 -1.26 -4.85 105.19 102.17 3fyx n GLY 285 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3fyx n GLY 285 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fyx n ILE 286 N 0.00 0.38 0.00 -0.61 -0.00 -1.07 -5.10 119.36 112.97 3fyx n ILE 286 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 3fyx n ILE 286 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 39.15 3fyx n ILE 286 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3fyx n GLY 287 N 2.39 1.40 3.37 7.39 0.00 -0.53 -4.78 105.19 114.44 3fyx n GLY 287 Ca -0.09 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3fyx n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fyx s ASP 288 N -4.00 4.33 -0.03 1.61 1.11 -1.26 0.07 116.67 118.51 3fyx s ASP 288 Ca 0.00 -0.31 0.01 0.00 0.18 0.00 0.00 52.55 52.43 3fyx s ASP 288 Cb 0.00 -1.71 0.01 0.00 1.07 0.00 0.00 42.92 42.29 3fyx s ASP 288 CO 0.00 0.07 -0.04 -0.69 1.18 0.00 0.00 175.17 175.69 3fyx s VAL 289 N 0.91 0.44 0.28 -1.27 1.01 -0.64 -4.99 120.40 116.15 3fyx s VAL 289 Ca -0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3fyx s VAL 289 Cb -0.15 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 3fyx s VAL 289 CO 0.01 0.18 1.04 -1.81 0.00 0.00 0.00 175.10 174.51 3fyx s ASP 290 N 0.57 7.32 -0.12 3.32 1.01 -1.26 0.04 116.67 127.55 3fyx s ASP 290 Ca -0.07 2.13 -0.10 0.00 0.71 0.00 0.00 52.55 55.22 3fyx s ASP 290 Cb -0.10 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 3fyx s ASP 290 CO -0.00 -0.09 -0.22 0.18 0.21 0.00 0.00 175.17 175.25 3fyx n LEU 291 N 1.10 1.44 -4.08 1.23 4.77 -0.38 -4.85 117.00 116.24 3fyx n LEU 291 Ca -0.01 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 3fyx n LEU 291 Cb 0.46 -0.55 -0.17 0.00 -2.33 0.00 0.00 43.42 40.83 3fyx n LEU 291 CO 0.51 -0.10 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.28 3fyx s VAL 292 N -2.45 1.60 -0.27 4.08 1.01 -1.17 -4.93 120.40 118.25 3fyx s VAL 292 Ca -0.21 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3fyx s VAL 292 Cb 0.05 -1.45 0.16 0.00 0.00 0.00 0.00 36.38 35.14 3fyx s VAL 292 CO 0.28 0.46 0.42 0.21 0.00 0.00 0.00 175.10 176.48 3fyx s ASN 293 N 0.97 0.08 0.13 3.32 3.84 -1.20 -0.41 114.94 121.67 3fyx s ASN 293 Ca -0.06 -0.05 -0.25 0.00 0.21 0.00 0.00 52.86 52.71 3fyx s ASN 293 Cb -0.15 1.24 0.07 0.00 -0.55 0.00 0.00 41.25 41.87 3fyx s ASN 293 CO -0.02 -0.33 0.79 -0.72 -2.79 0.00 0.00 177.10 174.04 3fyx s TYR 294 N 2.59 -0.33 0.11 0.43 -0.85 -1.00 0.22 117.35 118.52 3fyx s TYR 294 Ca 0.12 0.08 0.07 0.00 -0.52 0.00 0.00 57.07 56.82 3fyx s TYR 294 Cb -0.13 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 3fyx s TYR 294 CO -0.24 -0.81 -0.10 -0.06 -1.52 0.00 0.00 175.55 172.81 3fyx s PHE 295 N -3.47 2.74 -0.19 -3.49 0.40 -0.01 -2.50 117.98 111.45 3fyx s PHE 295 Ca 0.06 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3fyx s PHE 295 Cb -0.02 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.11 3fyx s PHE 295 CO -0.05 0.43 -0.17 -2.00 0.70 0.00 0.00 175.22 174.13 3fyx s GLU 296 N -2.25 2.95 -0.17 0.44 -6.30 0.13 -0.74 118.70 112.76 3fyx s GLU 296 Ca 0.22 -0.86 0.00 0.00 -2.50 0.00 0.00 54.97 51.82 3fyx s GLU 296 Cb -0.11 -2.66 0.01 0.00 0.00 0.00 0.00 34.13 31.37 3fyx s GLU 296 CO 0.14 -0.25 -0.16 0.08 0.02 0.00 0.00 175.26 175.09 3fyx s VAL 297 N 1.29 2.48 0.05 3.70 1.01 -0.41 -1.90 120.40 126.61 3fyx s VAL 297 Ca 0.04 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 3fyx s VAL 297 Cb -0.14 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.28 3fyx s VAL 297 CO -0.11 0.51 0.94 -0.83 0.00 0.00 0.00 175.10 175.61 3fyx s GLY 298 N 1.08 -0.37 -0.17 4.51 0.00 -0.78 -0.27 107.32 111.33 3fyx s GLY 298 Ca -0.00 0.69 -0.06 0.00 0.00 0.00 0.00 44.72 45.35 3fyx s GLY 298 CO -0.05 0.21 0.33 0.00 0.00 0.00 0.00 173.10 173.59 3fyx s ALA 299 N -3.13 -0.83 -0.23 3.20 0.00 0.58 0.87 121.76 122.21 3fyx s ALA 299 Ca 0.08 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3fyx s ALA 299 Cb -0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3fyx s ALA 299 CO -0.05 -0.73 0.60 0.99 0.00 0.00 0.00 175.76 176.58 3fyx s THR 300 N 2.51 5.02 -0.28 0.00 2.01 -0.76 -1.71 115.64 122.42 3fyx s THR 300 Ca 0.01 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.95 3fyx s THR 300 Cb -0.12 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3fyx s THR 300 CO -0.11 0.08 0.40 -0.47 -0.69 0.00 0.00 174.62 173.83 3fyx s TYR 301 N 2.20 3.24 -0.17 4.92 6.14 0.11 0.12 117.35 133.91 3fyx s TYR 301 Ca 0.26 0.36 -0.12 0.00 0.64 0.00 0.00 57.07 58.21 3fyx s TYR 301 Cb -0.16 -2.63 -0.05 0.00 0.42 0.00 0.00 41.96 39.54 3fyx s TYR 301 CO 0.09 -0.29 0.22 0.71 0.64 0.00 0.00 175.55 176.92 3fyx s TYR 302 N 2.12 3.46 -0.10 4.97 2.02 -1.22 -1.95 117.35 126.65 3fyx s TYR 302 Ca 0.16 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.36 3fyx s TYR 302 Cb -0.16 -2.24 -0.25 0.00 -0.40 0.00 0.00 41.96 38.91 3fyx s TYR 302 CO 0.10 0.30 0.45 1.19 -1.57 0.00 0.00 175.55 176.03 3fyx n PHE 303 N 3.40 1.11 -3.02 2.71 3.72 -0.23 -4.44 117.46 120.71 3fyx n PHE 303 Ca -0.14 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 3fyx n PHE 303 Cb 0.52 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 3fyx n PHE 303 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3fyx n ASN 304 N -3.31 0.00 0.22 4.37 0.23 -1.20 -4.96 115.26 110.61 3fyx n ASN 304 Ca -0.27 -0.35 0.15 0.00 -0.53 0.00 0.00 54.58 53.58 3fyx n ASN 304 Cb 1.05 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.54 3fyx n ASN 304 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3fyx h LYS 305 N 0.00 0.00 0.00 -3.83 2.10 -1.97 -3.20 116.57 109.67 3fyx h LYS 305 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3fyx h LYS 305 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3fyx h LYS 305 CO 0.00 0.00 -1.35 0.09 -2.00 0.00 0.00 179.45 176.19 3fyx n ASN 306 N -2.53 3.52 -4.25 7.07 4.13 -1.26 -4.79 115.26 117.15 3fyx n ASN 306 Ca -0.02 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.97 3fyx n ASN 306 Cb 0.06 0.98 -0.15 0.00 -1.54 0.00 0.00 39.78 39.13 3fyx n ASN 306 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3fyx s MET 307 N -2.30 1.70 -0.22 3.52 1.75 -1.21 -1.01 119.30 121.53 3fyx s MET 307 Ca -0.03 -0.85 -0.27 0.00 -1.25 0.00 0.00 55.69 53.30 3fyx s MET 307 Cb 0.03 -1.70 0.12 0.00 2.84 0.00 0.00 34.83 36.12 3fyx s MET 307 CO 0.26 0.46 0.97 -1.54 -0.65 0.00 0.00 175.02 174.52 3fyx s SER 308 N -0.71 -0.46 0.00 1.11 1.04 -1.01 -1.07 113.70 112.60 3fyx s SER 308 Ca 0.09 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.31 3fyx s SER 308 Cb -0.09 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 3fyx s SER 308 CO -0.00 -0.25 -0.17 0.42 0.98 0.00 0.00 173.24 174.22 3fyx s THR 309 N -0.30 1.33 0.04 2.02 -4.23 -0.82 0.49 115.64 114.16 3fyx s THR 309 Ca 0.00 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 3fyx s THR 309 Cb -0.03 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 3fyx s THR 309 CO -0.02 0.31 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.53 3fyx s TYR 310 N -0.50 1.00 -0.14 3.99 -0.85 -0.77 0.09 117.35 120.17 3fyx s TYR 310 Ca 0.06 -0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.27 3fyx s TYR 310 Cb -0.07 -0.60 0.00 0.00 0.38 0.00 0.00 41.96 41.68 3fyx s TYR 310 CO -0.00 0.00 -0.18 0.08 -1.52 0.00 0.00 175.55 173.93 3fyx s VAL 311 N -0.89 2.47 -0.07 -3.49 1.01 -0.70 -2.24 120.40 116.49 3fyx s VAL 311 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3fyx s VAL 311 Cb -0.08 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3fyx s VAL 311 CO 0.01 0.53 -0.11 -0.62 0.00 0.00 0.00 175.10 174.91 3fyx s ASP 312 N 0.71 1.75 -0.15 3.32 2.15 0.69 -0.31 116.67 124.83 3fyx s ASP 312 Ca -0.08 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 3fyx s ASP 312 Cb -0.16 -0.79 0.05 0.00 -0.30 0.00 0.00 42.92 41.73 3fyx s ASP 312 CO 0.01 -0.00 0.03 -0.47 -0.17 0.00 0.00 175.17 174.57 3fyx s TYR 313 N 0.87 0.87 -0.51 -5.34 5.04 0.63 0.37 117.35 119.29 3fyx s TYR 313 Ca -0.11 -0.61 -0.16 0.00 -2.44 0.00 0.00 57.07 53.75 3fyx s TYR 313 Cb -0.15 -0.94 0.09 0.00 0.35 0.00 0.00 41.96 41.31 3fyx s TYR 313 CO 0.01 -0.52 0.48 0.42 -1.34 0.00 0.00 175.55 174.61 3fyx s ILE 314 N 1.91 5.14 -0.57 3.14 -1.09 -1.06 -1.29 121.20 127.38 3fyx s ILE 314 Ca 0.01 -1.10 -0.28 0.00 -2.23 0.00 0.00 60.65 57.05 3fyx s ILE 314 Cb -0.15 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 3fyx s ILE 314 CO -0.07 -0.74 1.38 -0.63 -1.23 0.00 0.00 174.94 173.65 3fyx s ILE 315 N 1.86 3.81 -0.34 2.92 1.01 0.08 -3.22 121.20 127.32 3fyx s ILE 315 Ca 0.06 0.70 -0.28 0.00 0.00 0.00 0.00 60.65 61.13 3fyx s ILE 315 Cb -0.25 -4.48 0.02 0.00 0.01 0.00 0.00 42.46 37.75 3fyx s ILE 315 CO 0.06 -1.20 1.03 0.21 0.00 0.00 0.00 174.94 175.04 3fyx s ASN 316 N 4.23 6.83 0.00 3.58 2.47 -1.26 -0.83 114.94 129.95 3fyx s ASN 316 Ca 0.51 0.86 0.28 0.00 0.42 0.00 0.00 52.86 54.93 3fyx s ASN 316 Cb -0.10 -2.52 1.01 0.00 -1.45 0.00 0.00 41.25 38.19 3fyx s ASN 316 CO 0.25 -0.89 1.75 0.00 -3.72 0.00 0.00 177.10 174.49 3fyx n GLN 317 N 6.89 0.16 -1.69 0.43 1.13 0.61 -4.75 117.38 120.16 3fyx n GLN 317 Ca 0.10 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 3fyx n GLN 317 Cb 0.48 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 3fyx n GLN 317 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3fyx n ILE 318 N -1.38 0.41 -2.91 5.09 2.08 -1.00 -4.95 119.36 116.70 3fyx n ILE 318 Ca 0.08 -0.07 -0.33 0.00 0.56 0.00 0.00 62.75 62.99 3fyx n ILE 318 Cb 0.32 -2.14 -0.07 0.00 -0.75 0.00 0.00 39.64 37.01 3fyx n ILE 318 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 3fyx s ASP 319 N 2.90 6.88 0.64 4.38 -4.77 -1.26 -4.64 116.67 120.81 3fyx s ASP 319 Ca 0.83 1.56 0.29 0.00 -3.30 0.00 0.00 52.55 51.93 3fyx s ASP 319 Cb -0.48 -2.49 1.58 0.00 -1.09 0.00 0.00 42.92 40.44 3fyx s ASP 319 CO 0.38 -0.32 1.91 0.77 0.70 0.00 0.00 175.17 178.62 3fyx h SER 320 N 2.00 0.00 0.00 2.11 4.64 -1.95 -3.00 113.55 117.35 3fyx h SER 320 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fyx h SER 320 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3fyx h SER 320 CO 0.62 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.05 3fyx n ASP 321 N -3.12 2.35 -4.72 4.97 8.00 -1.26 -4.96 116.55 117.82 3fyx n ASP 321 Ca 0.01 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 3fyx n ASP 321 Cb 0.45 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3fyx n ASP 321 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fyx s ASN 322 N 0.77 6.79 0.39 -2.24 3.84 -1.13 -4.93 114.94 118.43 3fyx s ASN 322 Ca 0.00 2.38 0.21 0.00 0.21 0.00 0.00 52.86 55.66 3fyx s ASN 322 Cb 0.00 -2.59 0.37 0.00 -0.55 0.00 0.00 41.25 38.48 3fyx s ASN 322 CO 0.00 -0.67 1.60 0.11 -2.79 0.00 0.00 177.10 175.35 3fyx h LYS 323 N 6.60 0.00 -0.01 0.43 1.79 -1.92 -1.94 116.57 121.52 3fyx h LYS 323 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3fyx h LYS 323 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3fyx h LYS 323 CO 0.86 0.21 -0.53 1.28 -1.08 0.00 0.00 179.45 180.19 3fyx n LEU 324 N -3.18 1.37 0.00 2.94 4.77 -1.26 -4.93 117.00 116.72 3fyx n LEU 324 Ca 0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3fyx n LEU 324 Cb 0.58 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3fyx n LEU 324 CO 0.36 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3fyx n GLY 325 N 1.42 0.44 3.50 -0.72 0.00 -0.73 -2.66 105.19 106.45 3fyx n GLY 325 Ca 0.09 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3fyx n GLY 325 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fyx n VAL 326 N -3.52 0.00 -2.41 1.61 0.31 -1.26 -4.90 118.33 108.16 3fyx n VAL 326 Ca 0.00 -0.37 -0.37 0.00 -0.01 0.00 0.00 64.34 63.59 3fyx n VAL 326 Cb 0.30 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 3fyx n VAL 326 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3fyx s GLY 327 N -2.44 2.75 0.00 2.92 0.00 -1.26 -4.82 107.32 104.46 3fyx s GLY 327 Ca 0.68 0.81 0.00 0.00 0.00 0.00 0.00 44.72 46.21 3fyx s GLY 327 CO 0.64 1.25 0.05 -1.14 0.00 0.00 0.00 173.10 173.90 3fyx n SER 328 N -0.29 0.10 -4.88 1.64 3.41 0.13 -4.66 113.62 109.06 3fyx n SER 328 Ca 0.06 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.88 3fyx n SER 328 Cb 0.49 0.76 0.01 0.00 -0.26 0.00 0.00 64.21 65.21 3fyx n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3fyx s ASP 329 N -0.76 6.21 0.51 4.04 1.11 -0.90 -4.70 116.67 122.18 3fyx s ASP 329 Ca 0.00 1.23 -0.15 0.00 0.18 0.00 0.00 52.55 53.81 3fyx s ASP 329 Cb 0.00 -2.36 -0.07 0.00 1.07 0.00 0.00 42.92 41.55 3fyx s ASP 329 CO 0.00 -0.79 0.96 -1.81 1.18 0.00 0.00 175.17 174.71 3fyx s ASP 330 N -4.16 6.58 -0.18 0.27 1.01 -1.26 -1.78 116.67 117.15 3fyx s ASP 330 Ca 0.52 1.50 -0.01 0.00 0.71 0.00 0.00 52.55 55.27 3fyx s ASP 330 Cb -0.11 -2.48 0.05 0.00 1.01 0.00 0.00 42.92 41.39 3fyx s ASP 330 CO 0.51 -0.59 -0.01 -0.89 0.21 0.00 0.00 175.17 174.39 3fyx s THR 331 N -2.64 0.88 -0.08 -1.27 2.01 -1.20 -4.53 115.64 108.80 3fyx s THR 331 Ca 0.58 -0.60 -0.20 0.00 0.31 0.00 0.00 61.69 61.77 3fyx s THR 331 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 3fyx s THR 331 CO 0.33 -0.01 0.57 -0.69 -0.69 0.00 0.00 174.62 174.13 3fyx s VAL 332 N 1.72 5.10 -0.11 3.82 1.01 0.52 -2.57 120.40 129.89 3fyx s VAL 332 Ca -0.00 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.16 3fyx s VAL 332 Cb -0.16 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3fyx s VAL 332 CO -0.07 0.32 -0.19 0.00 0.00 0.00 0.00 175.10 175.15 3fyx s ALA 333 N 0.55 1.90 -0.04 5.51 0.00 0.16 0.32 121.76 130.15 3fyx s ALA 333 Ca 0.31 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.47 3fyx s ALA 333 Cb -0.16 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 3fyx s ALA 333 CO 0.14 0.08 -0.17 0.08 0.00 0.00 0.00 175.76 175.89 3fyx s VAL 334 N 0.70 1.41 0.11 0.00 1.01 -0.27 -0.22 120.40 123.14 3fyx s VAL 334 Ca -0.12 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 3fyx s VAL 334 Cb -0.16 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3fyx s VAL 334 CO 0.02 0.41 0.34 -0.83 0.00 0.00 0.00 175.10 175.04 3fyx s GLY 335 N 0.00 -0.17 -0.03 4.51 0.00 -0.95 -0.23 107.32 110.45 3fyx s GLY 335 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 3fyx s GLY 335 CO 0.02 -0.42 0.05 -1.50 0.00 0.00 0.00 173.10 171.24 3fyx s ILE 336 N -3.71 -0.06 -0.15 0.90 2.07 -0.27 -1.85 121.20 118.13 3fyx s ILE 336 Ca 0.03 0.33 0.02 0.00 -1.41 0.00 0.00 60.65 59.62 3fyx s ILE 336 Cb 0.02 -0.15 0.02 0.00 0.13 0.00 0.00 42.46 42.48 3fyx s ILE 336 CO -0.11 0.15 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.18 3fyx s VAL 337 N 1.76 1.97 -0.36 4.00 1.01 0.18 -2.54 120.40 126.42 3fyx s VAL 337 Ca -0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 3fyx s VAL 337 Cb -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3fyx s VAL 337 CO -0.03 0.53 0.17 -0.47 0.00 0.00 0.00 175.10 175.30 3fyx s TYR 338 N 1.06 3.24 0.24 5.22 5.04 -0.42 -2.41 117.35 129.31 3fyx s TYR 338 Ca -0.02 -1.08 0.08 0.00 -2.44 0.00 0.00 57.07 53.61 3fyx s TYR 338 Cb -0.14 -2.38 -0.04 0.00 0.35 0.00 0.00 41.96 39.75 3fyx s TYR 338 CO -0.07 -0.66 0.06 1.14 -1.34 0.00 0.00 175.55 174.68 3fyx s GLN 339 N 1.51 2.51 0.00 4.97 -2.07 -0.18 0.09 119.66 126.49 3fyx s GLN 339 Ca 0.01 -1.23 0.00 0.00 -1.82 0.00 0.00 55.36 52.33 3fyx s GLN 339 Cb -0.19 -2.33 0.00 0.00 -1.09 0.00 0.00 33.01 29.39 3fyx s GLN 339 CO 0.05 0.40 0.00 1.97 -1.32 0.00 0.00 175.29 176.39