#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fnl s ASP 4 N 0.00 6.84 0.81 4.31 2.15 -1.26 -4.99 116.67 124.53 1fnl s ASP 4 Ca 0.00 2.30 -0.13 0.00 0.43 0.00 0.00 52.55 55.15 1fnl s ASP 4 Cb 0.00 -2.59 0.09 0.00 -0.30 0.00 0.00 42.92 40.12 1fnl s ASP 4 CO 0.00 -0.64 1.20 -0.76 -0.17 0.00 0.00 175.17 174.80 1fnl s LEU 5 N 1.11 3.12 0.51 -1.34 1.43 -1.26 -4.95 118.68 117.29 1fnl s LEU 5 Ca 0.64 2.34 -0.23 0.00 -1.03 0.00 0.00 54.13 55.85 1fnl s LEU 5 Cb -0.36 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.21 1fnl s LEU 5 CO 0.30 -2.69 1.34 -2.84 0.23 0.00 0.00 176.35 172.69 1fnl s PRO 6 N -4.19 3.37 0.84 1.29 0.02 -1.26 -4.80 135.00 130.27 1fnl s PRO 6 Ca 0.72 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.83 1fnl s PRO 6 Cb -0.28 -2.37 0.10 0.00 0.02 0.00 0.00 34.50 31.96 1fnl s PRO 6 CO 0.51 -1.00 1.09 -1.59 -0.33 0.00 0.00 177.00 175.69 1fnl s LYS 7 N -2.76 1.72 0.80 5.54 -2.85 -1.26 -4.04 119.74 116.88 1fnl s LYS 7 Ca 0.68 0.82 -0.11 0.00 -1.00 0.00 0.00 55.97 56.36 1fnl s LYS 7 Cb -0.39 -1.86 0.07 0.00 -2.06 0.00 0.00 37.83 33.59 1fnl s LYS 7 CO 0.47 -1.92 1.09 0.00 0.10 0.00 0.00 175.35 175.09 1fnl s ALA 8 N -3.00 2.11 -0.03 0.59 0.00 0.10 -4.77 121.76 116.76 1fnl s ALA 8 Ca 0.62 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1fnl s ALA 8 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1fnl s ALA 8 CO 0.56 -1.91 -0.09 0.08 0.00 0.00 0.00 175.76 174.41 1fnl s VAL 9 N -2.90 0.77 -0.10 0.00 1.01 -0.67 -3.94 120.40 114.58 1fnl s VAL 9 Ca 0.62 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1fnl s VAL 9 Cb -0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1fnl s VAL 9 CO 0.56 0.24 0.23 -0.69 0.00 0.00 0.00 175.10 175.45 1fnl s VAL 10 N 0.20 5.34 0.05 2.92 1.01 -1.26 -0.22 120.40 128.44 1fnl s VAL 10 Ca -0.03 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1fnl s VAL 10 Cb -0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1fnl s VAL 10 CO 0.00 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.21 1fnl s PHE 11 N -0.78 0.95 -0.10 5.22 0.40 -0.12 -4.96 117.98 118.57 1fnl s PHE 11 Ca 0.17 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1fnl s PHE 11 Cb -0.13 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 1fnl s PHE 11 CO 0.06 -0.01 0.03 -0.51 0.70 0.00 0.00 175.22 175.50 1fnl s LEU 12 N -1.42 3.74 -0.13 -0.37 1.43 -1.26 -0.01 118.68 120.66 1fnl s LEU 12 Ca -0.04 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1fnl s LEU 12 Cb -0.09 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1fnl s LEU 12 CO 0.01 0.36 -0.03 -0.70 0.23 0.00 0.00 176.35 176.22 1fnl s GLU 13 N -0.74 1.09 1.05 1.70 2.56 -0.09 -3.34 118.70 120.93 1fnl s GLU 13 Ca 0.12 -0.24 -0.13 0.00 0.00 0.00 0.00 54.97 54.71 1fnl s GLU 13 Cb -0.12 -1.60 0.22 0.00 2.00 0.00 0.00 34.13 34.63 1fnl s GLU 13 CO 0.02 -0.38 1.08 -1.25 -0.56 0.00 0.00 175.26 174.18 1fnl s PRO 14 N 1.79 -0.02 0.27 4.30 0.04 -1.26 -0.87 135.00 139.25 1fnl s PRO 14 Ca 0.03 0.48 0.23 0.00 0.04 0.00 0.00 61.00 61.78 1fnl s PRO 14 Cb -0.14 -1.69 1.02 0.00 0.04 0.00 0.00 34.50 33.73 1fnl s PRO 14 CO -0.07 -3.03 1.69 0.00 0.04 0.00 0.00 177.00 175.63 1fnl n GLN 15 N -4.38 0.18 -1.68 4.56 10.64 -1.21 -4.85 117.38 120.64 1fnl n GLN 15 Ca 0.05 0.48 -0.45 0.00 -1.83 0.00 0.00 57.00 55.25 1fnl n GLN 15 Cb 0.57 -1.89 -0.04 0.00 -0.86 0.00 0.00 30.24 28.02 1fnl n GLN 15 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1fnl n TRP 16 N -2.23 2.45 0.24 2.61 7.02 -1.26 -4.68 117.44 121.58 1fnl n TRP 16 Ca 0.01 -0.12 0.13 0.00 -1.02 0.00 0.00 57.50 56.50 1fnl n TRP 16 Cb 0.17 -2.71 0.24 0.00 -2.42 0.00 0.00 31.31 26.59 1fnl n TRP 16 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1fnl h TYR 17 N 9.11 0.00 -4.16 -5.99 -0.00 -1.79 -3.43 116.97 110.71 1fnl h TYR 17 Ca -0.48 0.00 -0.69 0.00 0.00 0.00 0.00 58.73 57.56 1fnl h TYR 17 Cb 1.25 0.00 -0.29 0.00 0.00 0.00 0.00 36.73 37.69 1fnl h TYR 17 CO 0.85 0.00 -0.85 -1.54 -0.00 0.00 0.00 178.16 176.62 1fnl s SER 18 N -6.09 3.34 0.17 0.10 1.04 -1.26 -0.75 113.70 110.26 1fnl s SER 18 Ca 0.06 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1fnl s SER 18 Cb 0.06 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 1fnl s SER 18 CO 0.65 0.29 0.09 0.68 0.98 0.00 0.00 173.24 175.93 1fnl s VAL 19 N -0.40 0.13 0.15 5.02 -7.23 0.06 -4.88 120.40 113.25 1fnl s VAL 19 Ca 0.04 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1fnl s VAL 19 Cb -0.12 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1fnl s VAL 19 CO 0.02 -0.22 0.32 -0.76 -0.31 0.00 0.00 175.10 174.15 1fnl s LEU 20 N -3.13 4.29 0.45 1.32 1.43 -1.26 -0.55 118.68 121.22 1fnl s LEU 20 Ca 0.32 0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.52 1fnl s LEU 20 Cb 0.07 -3.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.12 1fnl s LEU 20 CO 0.07 0.04 1.03 -0.62 0.23 0.00 0.00 176.35 177.10 1fnl n GLU 21 N -0.33 1.35 0.00 1.70 1.02 -0.21 -1.52 120.64 122.65 1fnl n GLU 21 Ca -0.05 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1fnl n GLU 21 Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1fnl n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1fnl n LYS 22 N -0.02 0.00 -1.87 3.49 5.02 0.04 -4.72 118.16 120.10 1fnl n LYS 22 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 1fnl n LYS 22 Cb 0.40 -1.06 0.04 0.00 -0.02 0.00 0.00 35.03 34.39 1fnl n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fnl s ASP 23 N -3.05 5.28 -0.06 4.39 1.01 -0.57 -4.37 116.67 119.30 1fnl s ASP 23 Ca 0.00 2.01 -0.07 0.00 0.71 0.00 0.00 52.55 55.19 1fnl s ASP 23 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1fnl s ASP 23 CO 0.00 -1.51 0.21 -0.44 0.21 0.00 0.00 175.17 173.64 1fnl s SER 24 N -2.48 6.47 -0.01 0.27 0.01 -1.25 -0.75 113.70 115.97 1fnl s SER 24 Ca 0.67 0.54 0.02 0.00 1.31 0.00 0.00 55.95 58.49 1fnl s SER 24 Cb -0.20 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1fnl s SER 24 CO 0.39 0.34 -0.06 -0.69 0.41 0.00 0.00 173.24 173.63 1fnl s VAL 25 N -1.14 0.48 -0.18 3.43 1.01 -0.31 -4.71 120.40 118.98 1fnl s VAL 25 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1fnl s VAL 25 Cb -0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1fnl s VAL 25 CO 0.10 0.15 -0.10 -0.89 0.00 0.00 0.00 175.10 174.36 1fnl s THR 26 N 0.08 3.02 -0.25 3.92 2.01 -0.05 -0.58 115.64 123.79 1fnl s THR 26 Ca -0.01 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1fnl s THR 26 Cb -0.05 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1fnl s THR 26 CO -0.00 0.48 0.36 -0.76 -0.69 0.00 0.00 174.62 174.01 1fnl s LEU 27 N 1.07 4.08 -0.02 4.42 2.01 -0.13 -0.91 118.68 129.20 1fnl s LEU 27 Ca 0.00 0.34 0.02 0.00 0.01 0.00 0.00 54.13 54.50 1fnl s LEU 27 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.60 1fnl s LEU 27 CO -0.02 -0.13 -0.05 -0.54 1.01 0.00 0.00 176.35 176.62 1fnl s LYS 28 N 1.76 2.65 -0.23 1.70 1.02 0.99 -0.61 119.74 127.02 1fnl s LYS 28 Ca 0.15 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.46 1fnl s LYS 28 Cb -0.15 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1fnl s LYS 28 CO 0.09 0.62 -0.05 0.00 -0.92 0.00 0.00 175.35 175.09 1fnl s GLN 30 N 1.42 3.68 0.16 0.00 0.74 0.69 -4.91 119.66 121.44 1fnl s GLN 30 Ca 0.04 -0.04 -0.24 0.00 0.05 0.00 0.00 55.36 55.16 1fnl s GLN 30 Cb -0.15 -3.80 0.07 0.00 1.10 0.00 0.00 33.01 30.23 1fnl s GLN 30 CO -0.04 -0.66 1.00 0.20 -0.55 0.00 0.00 175.29 175.24 1fnl s GLY 31 N 1.76 -0.15 0.20 2.59 0.00 -1.26 -1.67 107.32 108.79 1fnl s GLY 31 Ca 0.21 0.03 0.07 0.00 0.00 0.00 0.00 44.72 45.03 1fnl s GLY 31 CO 0.14 0.56 0.09 0.00 0.00 0.00 0.00 173.10 173.88 1fnl s ALA 32 N -2.95 3.40 0.08 3.20 0.00 -1.26 -5.03 121.76 119.20 1fnl s ALA 32 Ca 0.15 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1fnl s ALA 32 Cb -0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1fnl s ALA 32 CO 0.03 0.42 -0.17 0.71 0.00 0.00 0.00 175.76 176.75 1fnl s TYR 33 N -1.89 1.42 0.44 0.00 1.51 -1.26 -3.72 117.35 113.85 1fnl s TYR 33 Ca 0.30 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1fnl s TYR 33 Cb -0.09 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1fnl s TYR 33 CO 0.22 0.11 0.71 -1.54 -1.11 0.00 0.00 175.55 173.94 1fnl s SER 34 N -1.79 6.25 0.32 2.29 1.04 -1.07 -4.98 113.70 115.76 1fnl s SER 34 Ca 0.01 0.77 0.07 0.00 0.48 0.00 0.00 55.95 57.28 1fnl s SER 34 Cb -0.10 -2.16 0.77 0.00 0.10 0.00 0.00 66.02 64.64 1fnl s SER 34 CO 0.03 -0.50 1.80 -0.65 0.98 0.00 0.00 173.24 174.89 1fnl h PRO 35 N 0.38 0.72 -0.18 4.02 0.11 -2.04 -2.47 132.00 132.54 1fnl h PRO 35 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1fnl h PRO 35 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1fnl h PRO 35 CO 0.61 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 178.03 1fnl n GLU 36 N -4.70 2.07 -3.23 1.05 0.00 -1.26 -4.78 120.64 109.79 1fnl n GLU 36 Ca 0.22 -1.60 -0.02 0.00 0.00 0.00 0.00 57.16 55.76 1fnl n GLU 36 Cb 0.57 -1.46 -0.03 0.00 0.00 0.00 0.00 31.44 30.51 1fnl n GLU 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1fnl s ASP 37 N -1.71 -0.64 -0.24 -1.84 2.15 -0.93 -5.00 116.67 108.46 1fnl s ASP 37 Ca 0.34 0.20 0.11 0.00 0.43 0.00 0.00 52.55 53.64 1fnl s ASP 37 Cb 0.20 1.63 0.46 0.00 -0.30 0.00 0.00 42.92 44.91 1fnl s ASP 37 CO 0.30 -0.31 1.35 -0.46 -0.17 0.00 0.00 175.17 175.88 1fnl n ASN 38 N 5.39 2.33 -4.81 -0.34 2.04 -1.26 -2.58 115.26 116.04 1fnl n ASN 38 Ca 0.01 -3.68 -0.33 0.00 -0.44 0.00 0.00 54.58 50.14 1fnl n ASN 38 Cb 0.51 -0.57 0.01 0.00 -2.53 0.00 0.00 39.78 37.20 1fnl n ASN 38 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1fnl s SER 39 N -2.75 5.88 -0.03 0.53 1.04 -1.26 -4.87 113.70 112.23 1fnl s SER 39 Ca 0.41 1.79 0.05 0.00 0.48 0.00 0.00 55.95 58.67 1fnl s SER 39 Cb 0.37 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 1fnl s SER 39 CO -0.01 -1.10 -0.17 -0.89 0.98 0.00 0.00 173.24 172.05 1fnl s THR 40 N -2.47 1.36 -0.13 2.02 2.01 0.24 -4.29 115.64 114.37 1fnl s THR 40 Ca 0.63 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 1fnl s THR 40 Cb -0.15 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1fnl s THR 40 CO 0.36 0.39 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.57 1fnl s GLN 41 N -0.20 3.45 -0.05 4.92 1.11 0.09 -1.49 119.66 127.48 1fnl s GLN 41 Ca 0.02 -0.46 0.02 0.00 0.01 0.00 0.00 55.36 54.95 1fnl s GLN 41 Cb -0.09 -2.90 -0.03 0.00 -1.01 0.00 0.00 33.01 28.99 1fnl s GLN 41 CO 0.00 0.41 -0.10 -1.58 0.01 0.00 0.00 175.29 174.04 1fnl s TRP 42 N -0.09 2.84 -0.02 0.91 0.52 0.07 -1.56 118.94 121.61 1fnl s TRP 42 Ca 0.03 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.14 1fnl s TRP 42 Cb -0.13 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1fnl s TRP 42 CO 0.02 0.29 -0.15 -0.06 0.02 0.00 0.00 176.95 177.08 1fnl s PHE 43 N -0.81 1.33 -0.26 -1.98 0.40 0.10 -0.87 117.98 115.89 1fnl s PHE 43 Ca 0.13 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1fnl s PHE 43 Cb -0.11 -0.87 0.05 0.00 0.51 0.00 0.00 43.02 42.60 1fnl s PHE 43 CO 0.02 -0.04 -0.09 -1.58 0.70 0.00 0.00 175.22 174.23 1fnl s HIS 44 N -0.27 3.19 -1.36 0.36 2.46 0.01 -1.29 115.29 118.38 1fnl s HIS 44 Ca 0.04 -2.05 -0.09 0.00 0.47 0.00 0.00 55.06 53.42 1fnl s HIS 44 Cb -0.06 -1.98 0.01 0.00 -0.13 0.00 0.00 32.58 30.41 1fnl s HIS 44 CO -0.00 -0.84 0.43 0.09 -2.47 0.00 0.00 174.74 171.95 1fnl n ASN 45 N 4.52 -1.47 0.00 9.88 3.02 0.92 -0.83 115.26 131.30 1fnl n ASN 45 Ca -0.15 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1fnl n ASN 45 Cb 0.44 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.05 1fnl n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1fnl n GLU 46 N -4.51 0.00 -3.61 3.52 4.71 -1.26 -4.99 120.64 114.49 1fnl n GLU 46 Ca -0.25 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.54 1fnl n GLU 46 Cb 0.65 -2.43 -0.07 0.00 -1.01 0.00 0.00 31.44 28.58 1fnl n GLU 46 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1fnl s SER 47 N -3.24 6.39 0.20 1.62 0.01 -0.01 -5.06 113.70 113.61 1fnl s SER 47 Ca 0.00 0.45 -0.30 0.00 1.31 0.00 0.00 55.95 57.40 1fnl s SER 47 Cb 0.00 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 1fnl s SER 47 CO 0.00 0.15 1.39 -0.22 0.41 0.00 0.00 173.24 174.97 1fnl s LEU 48 N 0.27 4.39 0.00 2.44 2.96 -1.26 -0.81 118.68 126.67 1fnl s LEU 48 Ca 0.14 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1fnl s LEU 48 Cb -0.12 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1fnl s LEU 48 CO 0.03 -0.63 0.00 2.30 -1.32 0.00 0.00 176.35 176.73 1fnl n ILE 49 N 2.86 0.00 -3.61 6.68 -5.35 -0.05 -4.89 119.36 115.01 1fnl n ILE 49 Ca 0.08 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1fnl n ILE 49 Cb 0.41 0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 38.93 1fnl n ILE 49 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1fnl s SER 50 N -1.26 -0.62 -0.02 7.28 0.15 -1.23 -4.98 113.70 113.02 1fnl s SER 50 Ca 0.00 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.74 1fnl s SER 50 Cb 0.00 1.03 0.05 0.00 -1.71 0.00 0.00 66.02 65.38 1fnl s SER 50 CO 0.00 -0.30 0.92 -1.20 1.20 0.00 0.00 173.24 173.86 1fnl n SER 51 N 2.04 1.51 0.10 5.45 7.64 -1.24 -0.75 113.62 128.36 1fnl n SER 51 Ca -0.14 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1fnl n SER 51 Cb 0.56 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1fnl n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fnl n GLN 52 N -0.52 0.00 -2.03 1.43 -0.00 -0.55 -3.64 117.38 112.07 1fnl n GLN 52 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.64 1fnl n GLN 52 Cb 0.40 -0.01 0.01 0.00 -0.00 0.00 0.00 30.24 30.63 1fnl n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fnl s ALA 53 N -2.00 3.09 0.40 2.61 0.00 -1.26 -0.59 121.76 124.00 1fnl s ALA 53 Ca 0.00 1.19 0.19 0.00 0.00 0.00 0.00 51.96 53.34 1fnl s ALA 53 Cb 0.00 -3.48 1.07 0.00 0.00 0.00 0.00 23.12 20.70 1fnl s ALA 53 CO 0.00 -0.93 1.96 0.66 0.00 0.00 0.00 175.76 177.46 1fnl h SER 54 N 2.23 0.00 -2.89 0.00 4.64 -1.90 -3.41 113.55 112.21 1fnl h SER 54 Ca -0.50 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.21 1fnl h SER 54 Cb 1.26 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.23 1fnl h SER 54 CO 0.61 0.22 -0.67 -0.44 -0.87 0.00 0.00 176.83 175.67 1fnl s SER 55 N -6.66 4.63 -0.21 4.97 0.01 -1.26 -2.11 113.70 113.07 1fnl s SER 55 Ca -0.03 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1fnl s SER 55 Cb 0.14 -0.93 0.05 0.00 0.21 0.00 0.00 66.02 65.49 1fnl s SER 55 CO 0.66 0.09 -0.08 -0.47 0.41 0.00 0.00 173.24 173.86 1fnl s TYR 56 N -1.74 2.33 -0.21 2.43 5.04 0.22 -4.98 117.35 120.44 1fnl s TYR 56 Ca 0.27 -1.59 -0.12 0.00 -2.44 0.00 0.00 57.07 53.19 1fnl s TYR 56 Cb -0.09 -1.58 -0.05 0.00 0.35 0.00 0.00 41.96 40.59 1fnl s TYR 56 CO 0.18 -0.74 0.21 0.12 -1.34 0.00 0.00 175.55 173.97 1fnl s PHE 57 N 1.42 3.38 -0.40 4.97 5.36 -1.26 -0.96 117.98 130.49 1fnl s PHE 57 Ca -0.03 0.37 -0.11 0.00 -0.96 0.00 0.00 56.93 56.20 1fnl s PHE 57 Cb -0.17 -2.28 0.04 0.00 -0.34 0.00 0.00 43.02 40.27 1fnl s PHE 57 CO -0.07 0.15 0.24 0.42 -1.46 0.00 0.00 175.22 174.50 1fnl s ILE 58 N 0.79 4.61 0.12 3.12 1.01 0.25 -4.97 121.20 126.13 1fnl s ILE 58 Ca 0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 1fnl s ILE 58 Cb -0.13 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1fnl s ILE 58 CO 0.03 -0.33 1.42 -0.78 0.00 0.00 0.00 174.94 175.28 1fnl h ASP 59 N 8.47 0.90 -2.35 3.58 3.58 -1.86 -0.81 116.42 127.93 1fnl h ASP 59 Ca -0.25 -0.50 -0.41 0.00 0.42 0.00 0.00 57.03 56.29 1fnl h ASP 59 Cb 1.10 -0.25 -0.35 0.00 1.72 0.00 0.00 39.33 41.54 1fnl h ASP 59 CO 0.71 1.22 -0.70 0.00 -2.88 0.00 0.00 179.24 177.59 1fnl s ALA 60 N -4.26 -0.03 0.54 -0.78 0.00 -1.26 -3.85 121.76 112.13 1fnl s ALA 60 Ca -0.11 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1fnl s ALA 60 Cb 0.10 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1fnl s ALA 60 CO 0.87 -1.77 1.29 0.00 0.00 0.00 0.00 175.76 176.14 1fnl n ALA 61 N 5.09 1.32 -2.33 0.00 0.00 0.08 -4.56 120.51 120.09 1fnl n ALA 61 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 1fnl n ALA 61 Cb 0.44 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.49 1fnl n ALA 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fnl s THR 62 N -1.31 1.40 0.52 0.00 -4.23 -1.26 -0.78 115.64 109.99 1fnl s THR 62 Ca 0.71 -2.11 0.25 0.00 -1.18 0.00 0.00 61.69 59.36 1fnl s THR 62 Cb -0.43 -2.15 0.31 0.00 1.34 0.00 0.00 72.50 71.57 1fnl s THR 62 CO 0.50 -0.51 2.17 -0.37 -0.54 0.00 0.00 174.62 175.87 1fnl h VAL 63 N 2.54 0.69 0.00 2.29 -1.51 -1.93 0.18 116.25 118.51 1fnl h VAL 63 Ca -0.38 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1fnl h VAL 63 Cb 1.22 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1fnl h VAL 63 CO 0.64 0.05 0.00 -1.13 -1.23 0.00 0.00 177.57 175.90 1fnl h ASN 64 N 0.00 0.00 0.90 4.19 -0.73 -1.95 -1.60 115.58 116.38 1fnl h ASN 64 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1fnl h ASN 64 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1fnl h ASN 64 CO 0.01 0.00 0.00 0.47 -0.37 0.00 0.00 177.43 177.54 1fnl n ASP 65 N -3.02 0.13 -4.74 1.15 8.00 0.61 -4.86 116.55 113.82 1fnl n ASP 65 Ca -0.01 0.52 -0.37 0.00 0.71 0.00 0.00 54.79 55.64 1fnl n ASP 65 Cb 0.22 -0.55 0.06 0.00 -0.02 0.00 0.00 41.12 40.83 1fnl n ASP 65 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1fnl s SER 66 N -3.24 4.78 0.00 -2.24 0.01 -0.60 -4.88 113.70 107.53 1fnl s SER 66 Ca 0.11 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1fnl s SER 66 Cb 0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1fnl s SER 66 CO 0.46 -1.89 0.00 0.61 0.41 0.00 0.00 173.24 172.83 1fnl n GLY 67 N 0.84 0.90 3.81 3.44 0.00 0.23 -4.98 105.19 109.43 1fnl n GLY 67 Ca 0.14 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 1fnl n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fnl s GLU 68 N -1.67 3.89 0.01 1.61 2.02 -1.26 -1.13 118.70 122.17 1fnl s GLU 68 Ca 0.00 0.11 0.08 0.00 0.02 0.00 0.00 54.97 55.18 1fnl s GLU 68 Cb 0.00 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 1fnl s GLU 68 CO 0.00 0.55 -0.25 0.71 0.02 0.00 0.00 175.26 176.29 1fnl s TYR 69 N -0.49 2.22 0.03 1.61 1.51 0.13 -0.06 117.35 122.30 1fnl s TYR 69 Ca 0.18 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1fnl s TYR 69 Cb -0.14 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1fnl s TYR 69 CO 0.07 0.04 0.08 1.03 -1.11 0.00 0.00 175.55 175.65 1fnl s ARG 70 N -0.89 0.54 0.26 -0.62 0.52 -0.41 -1.14 118.95 117.20 1fnl s ARG 70 Ca 0.10 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1fnl s ARG 70 Cb -0.10 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 1fnl s ARG 70 CO 0.00 -0.13 0.13 0.00 0.02 0.00 0.00 175.30 175.33 1fnl s GLN 72 N -3.99 0.86 0.33 0.00 -2.07 -0.60 -0.73 119.66 113.47 1fnl s GLN 72 Ca 0.38 -0.19 0.02 0.00 -1.82 0.00 0.00 55.36 53.75 1fnl s GLN 72 Cb 0.07 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 1fnl s GLN 72 CO 0.15 -0.35 0.08 0.25 -1.32 0.00 0.00 175.29 174.10 1fnl n THR 73 N 0.03 0.00 1.63 3.63 -2.24 -0.49 -0.73 114.28 116.10 1fnl n THR 73 Ca -0.11 -1.80 0.15 0.00 -2.27 0.00 0.00 64.05 60.02 1fnl n THR 73 Cb 0.61 0.58 0.75 0.00 -2.10 0.00 0.00 70.33 70.17 1fnl n THR 73 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1fnl n ASN 74 N -1.55 0.32 -0.01 3.42 6.94 -1.26 -3.58 115.26 119.54 1fnl n ASN 74 Ca -0.07 -0.73 0.00 0.00 -0.02 0.00 0.00 54.58 53.76 1fnl n ASN 74 Cb 0.47 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.78 1fnl n ASN 74 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1fnl n LEU 75 N -0.92 0.00 -4.23 -4.53 4.77 -1.24 -4.95 117.00 105.90 1fnl n LEU 75 Ca 0.18 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.82 1fnl n LEU 75 Cb 0.22 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1fnl n LEU 75 CO 0.21 0.03 -0.40 -0.44 -1.33 0.00 0.00 177.39 175.46 1fnl s SER 76 N -2.77 4.29 0.97 -1.43 0.01 -1.23 -4.84 113.70 108.70 1fnl s SER 76 Ca -0.01 -0.74 -0.12 0.00 1.31 0.00 0.00 55.95 56.39 1fnl s SER 76 Cb 0.02 -1.69 0.18 0.00 0.21 0.00 0.00 66.02 64.74 1fnl s SER 76 CO 0.13 -0.10 1.09 0.42 0.41 0.00 0.00 173.24 175.19 1fnl s THR 77 N 1.37 2.36 -0.47 1.44 -4.23 -1.26 -1.40 115.64 113.46 1fnl s THR 77 Ca 0.02 0.12 -0.44 0.00 -1.18 0.00 0.00 61.69 60.21 1fnl s THR 77 Cb -0.16 -2.39 -0.19 0.00 1.34 0.00 0.00 72.50 71.10 1fnl s THR 77 CO -0.04 -0.15 1.55 -0.11 -0.54 0.00 0.00 174.62 175.32 1fnl n LEU 78 N -4.24 1.08 -4.74 4.79 7.94 -1.26 0.03 117.00 120.60 1fnl n LEU 78 Ca 0.07 1.06 -0.31 0.00 -1.11 0.00 0.00 56.01 55.72 1fnl n LEU 78 Cb 0.54 -0.82 0.11 0.00 0.53 0.00 0.00 43.42 43.78 1fnl n LEU 78 CO 0.55 -0.78 0.70 -0.94 -1.11 0.00 0.00 177.39 175.81 1fnl s SER 79 N 3.11 4.06 0.79 1.96 1.04 0.10 -4.60 113.70 120.15 1fnl s SER 79 Ca 1.00 1.94 -0.11 0.00 0.48 0.00 0.00 55.95 59.25 1fnl s SER 79 Cb -1.40 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 62.25 1fnl s SER 79 CO 0.75 -2.34 1.12 -1.81 0.98 0.00 0.00 173.24 171.94 1fnl s ASP 80 N -3.15 4.16 0.41 7.02 1.01 -1.26 -4.71 116.67 120.15 1fnl s ASP 80 Ca 0.63 1.99 -0.22 0.00 0.71 0.00 0.00 52.55 55.67 1fnl s ASP 80 Cb -0.19 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.09 1fnl s ASP 80 CO 0.56 -2.27 0.95 -2.16 0.21 0.00 0.00 175.17 172.46 1fnl s PRO 81 N -4.62 4.28 -0.09 8.23 0.04 -1.26 -4.67 135.00 136.90 1fnl s PRO 81 Ca 0.65 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.87 1fnl s PRO 81 Cb -0.20 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1fnl s PRO 81 CO 0.53 0.02 -0.22 0.08 0.04 0.00 0.00 177.00 177.45 1fnl s VAL 82 N -2.10 2.26 0.07 -0.36 1.01 -0.29 -4.90 120.40 116.09 1fnl s VAL 82 Ca 0.60 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1fnl s VAL 82 Cb -0.10 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1fnl s VAL 82 CO 0.15 0.56 0.58 -1.10 0.00 0.00 0.00 175.10 175.28 1fnl s GLN 83 N 0.19 4.22 -0.08 2.72 -1.52 -1.26 -0.70 119.66 123.23 1fnl s GLN 83 Ca -0.13 0.75 0.02 0.00 -1.95 0.00 0.00 55.36 54.05 1fnl s GLN 83 Cb -0.16 -3.24 0.01 0.00 -0.22 0.00 0.00 33.01 29.40 1fnl s GLN 83 CO 0.07 0.63 -0.14 -1.17 -0.25 0.00 0.00 175.29 174.43 1fnl s LEU 84 N -1.08 1.68 -0.12 2.90 2.96 -0.28 -4.81 118.68 119.92 1fnl s LEU 84 Ca 0.29 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1fnl s LEU 84 Cb -0.20 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1fnl s LEU 84 CO 0.19 0.04 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.50 1fnl s GLU 85 N 0.70 3.32 -0.14 1.98 2.02 0.07 -0.60 118.70 126.06 1fnl s GLU 85 Ca -0.13 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1fnl s GLU 85 Cb -0.16 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.50 1fnl s GLU 85 CO 0.03 0.21 -0.16 0.08 0.02 0.00 0.00 175.26 175.44 1fnl s VAL 86 N 0.35 2.67 0.28 2.63 1.01 -1.26 -0.76 120.40 125.32 1fnl s VAL 86 Ca -0.12 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1fnl s VAL 86 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1fnl s VAL 86 CO 0.06 0.52 0.04 -1.00 0.00 0.00 0.00 175.10 174.72 1fnl s HIS 87 N 0.65 2.72 -0.12 5.22 3.76 0.28 -4.72 115.29 123.08 1fnl s HIS 87 Ca -0.08 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.59 1fnl s HIS 87 Cb -0.16 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.24 1fnl s HIS 87 CO 0.02 0.55 -0.19 0.42 -0.85 0.00 0.00 174.74 174.70 1fnl s ILE 88 N -2.34 1.76 0.00 0.60 1.01 -1.26 -1.04 121.20 119.93 1fnl s ILE 88 Ca 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1fnl s ILE 88 Cb -0.05 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1fnl s ILE 88 CO 0.21 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1fnl n GLY 89 N 4.11 0.97 0.11 6.18 0.00 -1.26 -5.01 105.19 110.29 1fnl n GLY 89 Ca -0.19 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 1fnl n GLY 89 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1fnl h TRP 90 N 0.00 0.00 -4.01 1.61 4.06 -1.94 -3.41 115.95 112.25 1fnl h TRP 90 Ca 0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 1fnl h TRP 90 Cb 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.00 1fnl h TRP 90 CO 0.00 0.73 -0.69 -0.51 -3.56 0.00 0.00 178.44 174.40 1fnl s LEU 91 N -7.12 2.45 -0.13 -4.49 1.43 -1.26 -1.20 118.68 108.35 1fnl s LEU 91 Ca 0.00 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.14 1fnl s LEU 91 Cb 0.11 0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.42 1fnl s LEU 91 CO 0.78 -0.47 0.29 -0.22 0.23 0.00 0.00 176.35 176.95 1fnl s LEU 92 N -2.67 0.12 -0.33 1.79 2.96 0.15 -4.56 118.68 116.14 1fnl s LEU 92 Ca 0.05 0.63 -0.24 0.00 -0.22 0.00 0.00 54.13 54.35 1fnl s LEU 92 Cb 0.03 0.87 0.00 0.00 0.50 0.00 0.00 46.19 47.59 1fnl s LEU 92 CO -0.06 -0.19 0.81 -0.22 -1.32 0.00 0.00 176.35 175.37 1fnl s LEU 93 N 1.59 4.09 0.05 -0.68 0.20 -1.26 -0.59 118.68 122.08 1fnl s LEU 93 Ca -0.07 0.58 0.02 0.00 0.69 0.00 0.00 54.13 55.35 1fnl s LEU 93 Cb -0.10 -3.09 -0.04 0.00 -0.43 0.00 0.00 46.19 42.53 1fnl s LEU 93 CO -0.10 -0.68 0.07 -1.10 -0.29 0.00 0.00 176.35 174.26 1fnl s GLN 94 N 3.06 2.92 0.08 1.98 -0.21 0.97 -4.94 119.66 123.51 1fnl s GLN 94 Ca 0.33 -0.64 -0.11 0.00 0.02 0.00 0.00 55.36 54.97 1fnl s GLN 94 Cb -0.14 -2.75 0.01 0.00 1.00 0.00 0.00 33.01 31.13 1fnl s GLN 94 CO 0.14 0.59 0.24 0.00 -2.12 0.00 0.00 175.29 174.14 1fnl s ALA 95 N -1.32 -0.43 -0.47 6.09 0.00 -1.26 -1.16 121.76 123.20 1fnl s ALA 95 Ca 0.27 -0.36 0.25 0.00 0.00 0.00 0.00 51.96 52.13 1fnl s ALA 95 Cb -0.12 0.44 0.97 0.00 0.00 0.00 0.00 23.12 24.41 1fnl s ALA 95 CO 0.19 -0.48 1.75 -1.00 0.00 0.00 0.00 175.76 176.23 1fnl h PRO 96 N 2.92 0.00 -2.44 0.00 0.13 -1.84 -3.32 132.00 127.46 1fnl h PRO 96 Ca -0.33 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.99 1fnl h PRO 96 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1fnl h PRO 96 CO 0.51 0.00 0.63 -0.98 -0.23 0.00 0.00 178.00 177.93 1fnl s ARG 97 N -3.30 1.16 0.00 0.86 1.70 -1.26 -4.51 118.95 113.60 1fnl s ARG 97 Ca 0.05 -0.74 0.03 0.00 -0.47 0.00 0.00 55.73 54.61 1fnl s ARG 97 Cb 0.10 0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1fnl s ARG 97 CO 0.46 -0.54 0.74 -2.67 -1.08 0.00 0.00 175.30 172.22 1fnl n TRP 98 N -0.71 0.04 -4.25 5.89 2.14 -1.26 -4.95 117.44 114.34 1fnl n TRP 98 Ca -0.02 -0.15 -0.25 0.00 2.07 0.00 0.00 57.50 59.14 1fnl n TRP 98 Cb 0.59 -0.01 -0.17 0.00 -0.81 0.00 0.00 31.31 30.91 1fnl n TRP 98 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1fnl s VAL 99 N -0.49 1.03 0.12 -1.67 1.01 -1.26 -1.11 120.40 118.05 1fnl s VAL 99 Ca 0.04 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1fnl s VAL 99 Cb 0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1fnl s VAL 99 CO 0.04 0.35 -0.16 -0.36 0.00 0.00 0.00 175.10 174.97 1fnl s PHE 100 N 1.14 1.52 0.17 5.22 0.40 -0.02 -4.98 117.98 121.43 1fnl s PHE 100 Ca -0.06 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1fnl s PHE 100 Cb -0.14 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.54 1fnl s PHE 100 CO -0.02 0.19 0.39 0.15 0.70 0.00 0.00 175.22 176.63 1fnl s LYS 101 N -2.53 3.59 0.45 0.44 1.02 -1.26 -0.09 119.74 121.36 1fnl s LYS 101 Ca 0.09 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.69 1fnl s LYS 101 Cb -0.06 -2.83 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 1fnl s LYS 101 CO 0.04 0.43 1.11 0.39 -0.92 0.00 0.00 175.35 176.40 1fnl n GLU 102 N -0.19 1.50 0.00 1.68 1.02 -0.57 -1.42 120.64 122.66 1fnl n GLU 102 Ca -0.03 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1fnl n GLU 102 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1fnl n GLU 102 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1fnl n GLU 103 N -0.10 0.00 -1.88 3.49 4.71 0.07 -4.90 120.64 122.03 1fnl n GLU 103 Ca 0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.85 1fnl n GLU 103 Cb 0.41 -0.12 0.02 0.00 -1.01 0.00 0.00 31.44 30.73 1fnl n GLU 103 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1fnl s ASP 104 N 0.10 5.88 0.35 1.62 1.11 -0.51 -4.15 116.67 121.07 1fnl s ASP 104 Ca 0.00 2.80 -0.18 0.00 0.18 0.00 0.00 52.55 55.35 1fnl s ASP 104 Cb 0.00 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 1fnl s ASP 104 CO 0.00 -1.16 0.82 -2.16 1.18 0.00 0.00 175.17 173.85 1fnl s PRO 105 N -2.50 4.15 -0.21 8.23 0.04 -1.25 -0.24 135.00 143.22 1fnl s PRO 105 Ca 0.62 0.88 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1fnl s PRO 105 Cb -0.41 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.74 1fnl s PRO 105 CO 0.52 0.13 -0.12 0.42 0.04 0.00 0.00 177.00 177.99 1fnl s ILE 106 N -1.97 1.84 -0.37 0.56 1.01 -0.50 -4.93 121.20 116.85 1fnl s ILE 106 Ca 0.55 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1fnl s ILE 106 Cb -0.11 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1fnl s ILE 106 CO 0.17 0.19 0.24 -2.28 0.00 0.00 0.00 174.94 173.26 1fnl s HIS 107 N 1.31 3.23 0.09 3.97 2.46 -1.26 -0.59 115.29 124.50 1fnl s HIS 107 Ca -0.02 -0.52 0.06 0.00 0.47 0.00 0.00 55.06 55.05 1fnl s HIS 107 Cb -0.17 -2.49 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 1fnl s HIS 107 CO -0.08 -0.50 -0.07 -0.51 -2.47 0.00 0.00 174.74 171.10 1fnl s LEU 108 N 1.66 3.15 -0.03 8.88 1.43 0.03 -4.19 118.68 129.61 1fnl s LEU 108 Ca 0.05 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1fnl s LEU 108 Cb -0.18 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1fnl s LEU 108 CO 0.09 0.19 -0.03 -0.60 0.23 0.00 0.00 176.35 176.23 1fnl s ARG 109 N -2.17 0.50 -0.82 1.70 3.52 -0.31 -1.16 118.95 120.22 1fnl s ARG 109 Ca 0.22 -0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.61 1fnl s ARG 109 Cb -0.11 -0.57 0.19 0.00 -1.56 0.00 0.00 34.95 32.90 1fnl s ARG 109 CO 0.14 -0.05 0.83 0.00 -0.81 0.00 0.00 175.30 175.41 1fnl s HIS 111 N 0.93 3.55 0.20 0.00 2.46 0.24 -4.86 115.29 117.82 1fnl s HIS 111 Ca 0.20 1.34 -0.03 0.00 0.47 0.00 0.00 55.06 57.03 1fnl s HIS 111 Cb -0.11 -2.92 -0.05 0.00 -0.13 0.00 0.00 32.58 29.37 1fnl s HIS 111 CO -0.07 -0.02 0.43 -1.54 -2.47 0.00 0.00 174.74 171.06 1fnl s SER 112 N 0.94 6.44 0.55 9.88 1.04 -1.26 -0.67 113.70 130.61 1fnl s SER 112 Ca 0.40 0.55 -0.21 0.00 0.48 0.00 0.00 55.95 57.17 1fnl s SER 112 Cb -0.18 -2.07 -0.06 0.00 0.10 0.00 0.00 66.02 63.81 1fnl s SER 112 CO 0.18 -0.05 1.17 1.87 0.98 0.00 0.00 173.24 177.40 1fnl n TRP 113 N -0.46 1.63 -1.33 5.02 -0.00 -0.34 -4.85 117.44 117.10 1fnl n TRP 113 Ca -0.03 0.45 -0.52 0.00 -0.00 0.00 0.00 57.50 57.40 1fnl n TRP 113 Cb 0.53 -2.27 -0.07 0.00 -0.00 0.00 0.00 31.31 29.50 1fnl n TRP 113 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1fnl n LYS 114 N -0.86 0.00 -1.30 5.87 4.81 -1.26 -1.75 118.16 123.67 1fnl n LYS 114 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.45 1fnl n LYS 114 Cb 0.45 -1.31 -0.04 0.00 0.02 0.00 0.00 35.03 34.15 1fnl n LYS 114 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1fnl n ASN 115 N 1.59 -5.13 -4.54 3.14 3.02 -1.26 -5.00 115.26 107.07 1fnl n ASN 115 Ca 0.19 0.26 -0.27 0.00 -0.03 0.00 0.00 54.58 54.73 1fnl n ASN 115 Cb 0.05 -3.56 -0.10 0.00 -0.61 0.00 0.00 39.78 35.57 1fnl n ASN 115 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fnl s THR 116 N -2.10 3.01 -0.05 3.41 -4.23 -0.72 -5.14 115.64 109.83 1fnl s THR 116 Ca 0.00 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1fnl s THR 116 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1fnl s THR 116 CO 0.00 -0.12 -0.15 0.00 -0.54 0.00 0.00 174.62 173.80 1fnl s ALA 117 N -1.72 1.44 -0.10 3.99 0.00 -1.26 -4.71 121.76 119.40 1fnl s ALA 117 Ca 0.24 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1fnl s ALA 117 Cb -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1fnl s ALA 117 CO 0.14 0.22 0.11 -1.17 0.00 0.00 0.00 175.76 175.06 1fnl s LEU 118 N 0.26 4.17 0.21 0.00 2.96 -1.26 -4.35 118.68 120.67 1fnl s LEU 118 Ca -0.08 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1fnl s LEU 118 Cb -0.13 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1fnl s LEU 118 CO 0.03 0.38 0.00 -1.00 -1.32 0.00 0.00 176.35 174.44 1fnl s HIS 119 N -1.03 1.43 -1.18 5.38 3.76 0.31 -2.89 115.29 121.06 1fnl s HIS 119 Ca 0.16 -0.97 -0.15 0.00 -0.15 0.00 0.00 55.06 53.95 1fnl s HIS 119 Cb -0.12 -0.82 -0.01 0.00 1.11 0.00 0.00 32.58 32.74 1fnl s HIS 119 CO 0.06 -0.12 0.74 1.63 -0.85 0.00 0.00 174.74 176.20 1fnl n LYS 120 N -0.35 -1.93 -3.34 1.40 5.02 0.47 -0.84 118.16 118.59 1fnl n LYS 120 Ca -0.05 0.49 -0.38 0.00 -2.02 0.00 0.00 58.31 56.35 1fnl n LYS 120 Cb 0.64 -4.39 -0.06 0.00 -0.02 0.00 0.00 35.03 31.20 1fnl n LYS 120 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fnl s VAL 121 N -3.55 5.07 -0.02 -0.18 1.01 0.03 -4.27 120.40 118.50 1fnl s VAL 121 Ca 0.37 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.40 1fnl s VAL 121 Cb -0.12 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1fnl s VAL 121 CO 0.85 0.42 -0.22 -0.89 0.00 0.00 0.00 175.10 175.26 1fnl s THR 122 N -0.02 1.73 -0.15 3.92 2.01 -0.30 -0.78 115.64 122.05 1fnl s THR 122 Ca 0.26 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1fnl s THR 122 Cb -0.16 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1fnl s THR 122 CO 0.13 0.49 0.01 -0.31 -0.69 0.00 0.00 174.62 174.25 1fnl s TYR 123 N -0.45 3.16 0.11 4.92 1.51 -0.03 -1.89 117.35 124.68 1fnl s TYR 123 Ca 0.07 -0.02 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 1fnl s TYR 123 Cb -0.09 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1fnl s TYR 123 CO -0.00 0.18 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.88 1fnl s LEU 124 N 0.00 2.31 -0.09 -1.29 1.02 0.23 -0.31 118.68 120.56 1fnl s LEU 124 Ca 0.03 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1fnl s LEU 124 Cb -0.13 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.10 1fnl s LEU 124 CO 0.02 0.10 -0.08 -1.58 0.02 0.00 0.00 176.35 174.83 1fnl s GLN 125 N -1.98 1.46 -1.50 1.70 0.74 0.13 -2.13 119.66 118.07 1fnl s GLN 125 Ca 0.09 -0.26 -0.07 0.00 0.05 0.00 0.00 55.36 55.17 1fnl s GLN 125 Cb -0.10 -1.43 0.06 0.00 1.10 0.00 0.00 33.01 32.64 1fnl s GLN 125 CO 0.05 -0.17 0.64 0.09 -0.55 0.00 0.00 175.29 175.35 1fnl n ASN 126 N 4.55 -1.94 0.00 6.67 3.02 0.73 -1.28 115.26 127.00 1fnl n ASN 126 Ca -0.16 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1fnl n ASN 126 Cb 0.51 -3.19 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 1fnl n ASN 126 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fnl n GLY 127 N -1.74 0.43 3.30 7.41 0.00 -1.26 -5.02 105.19 108.31 1fnl n GLY 127 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1fnl n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fnl s LYS 128 N -0.55 2.17 0.21 1.61 1.02 -0.41 -5.09 119.74 118.70 1fnl s LYS 128 Ca 0.00 -0.92 -0.32 0.00 0.02 0.00 0.00 55.97 54.75 1fnl s LYS 128 Cb 0.00 -2.04 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 1fnl s LYS 128 CO 0.00 0.52 1.61 -0.25 -0.92 0.00 0.00 175.35 176.31 1fnl n ASP 129 N 2.53 3.50 -0.04 2.83 9.92 -1.26 -0.70 116.55 133.34 1fnl n ASP 129 Ca -0.16 1.10 -0.04 0.00 -0.53 0.00 0.00 54.79 55.16 1fnl n ASP 129 Cb 0.51 -1.51 -0.06 0.00 -0.64 0.00 0.00 41.12 39.43 1fnl n ASP 129 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1fnl n ARG 130 N 3.15 2.57 -3.64 -1.24 5.12 0.58 -4.85 116.66 118.36 1fnl n ARG 130 Ca 0.14 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.96 1fnl n ARG 130 Cb 0.33 -1.19 -0.07 0.00 -1.16 0.00 0.00 32.46 30.37 1fnl n ARG 130 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1fnl s LYS 131 N -2.18 0.62 -0.03 5.56 2.47 -1.13 -4.98 119.74 120.07 1fnl s LYS 131 Ca -0.04 0.74 0.05 0.00 -1.56 0.00 0.00 55.97 55.16 1fnl s LYS 131 Cb 0.02 0.30 -0.01 0.00 -1.46 0.00 0.00 37.83 36.68 1fnl s LYS 131 CO 0.29 -0.07 -0.19 -0.47 0.16 0.00 0.00 175.35 175.06 1fnl s TYR 132 N 0.30 1.83 -0.02 4.03 5.04 -1.26 -0.85 117.35 126.42 1fnl s TYR 132 Ca 0.02 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 1fnl s TYR 132 Cb -0.05 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 41.06 1fnl s TYR 132 CO -0.04 -0.10 -0.10 -0.06 -1.34 0.00 0.00 175.55 173.91 1fnl s PHE 133 N -0.26 1.00 0.20 4.97 0.40 0.04 -5.00 117.98 119.33 1fnl s PHE 133 Ca 0.02 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1fnl s PHE 133 Cb -0.10 -0.70 0.16 0.00 0.51 0.00 0.00 43.02 42.89 1fnl s PHE 133 CO 0.01 -0.09 1.59 1.25 0.70 0.00 0.00 175.22 178.67 1fnl h HIS 134 N 6.32 0.85 -4.36 0.36 -0.00 -1.95 0.14 115.15 116.52 1fnl h HIS 134 Ca -0.33 -0.22 -0.64 0.00 -0.00 0.00 0.00 60.37 59.18 1fnl h HIS 134 Cb 1.17 -0.19 -0.28 0.00 -0.00 0.00 0.00 27.41 28.11 1fnl h HIS 134 CO 0.44 0.95 -0.86 -1.01 -0.00 0.00 0.00 177.93 177.44 1fnl s HIS 135 N -4.45 2.03 -0.27 5.26 3.76 -1.26 -0.39 115.29 119.97 1fnl s HIS 135 Ca -0.09 -0.39 -0.40 0.00 -0.15 0.00 0.00 55.06 54.03 1fnl s HIS 135 Cb 0.12 -1.26 -0.16 0.00 1.11 0.00 0.00 32.58 32.40 1fnl s HIS 135 CO 0.84 0.04 1.73 -1.71 -0.85 0.00 0.00 174.74 174.79 1fnl n ASN 136 N 2.16 2.34 -4.03 1.40 5.15 -1.14 -4.90 115.26 116.24 1fnl n ASN 136 Ca -0.16 1.08 -0.08 0.00 -0.60 0.00 0.00 54.58 54.82 1fnl n ASN 136 Cb 0.52 -1.14 -0.09 0.00 -0.53 0.00 0.00 39.78 38.55 1fnl n ASN 136 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1fnl s SER 137 N 3.46 0.33 0.51 1.20 0.01 -1.26 -5.09 113.70 112.86 1fnl s SER 137 Ca 0.98 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 1fnl s SER 137 Cb -1.08 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 65.35 1fnl s SER 137 CO 0.66 -0.67 0.96 -1.81 0.41 0.00 0.00 173.24 172.78 1fnl s ASP 138 N -2.93 6.59 -0.27 2.44 1.01 -1.26 -4.65 116.67 117.60 1fnl s ASP 138 Ca 0.10 1.51 -0.04 0.00 0.71 0.00 0.00 52.55 54.82 1fnl s ASP 138 Cb 0.07 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1fnl s ASP 138 CO -0.08 -0.58 0.01 0.12 0.21 0.00 0.00 175.17 174.85 1fnl s PHE 139 N -2.63 3.10 -0.23 4.23 5.36 -0.31 -4.99 117.98 122.51 1fnl s PHE 139 Ca 0.58 -1.21 -0.07 0.00 -0.96 0.00 0.00 56.93 55.27 1fnl s PHE 139 Cb -0.10 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1fnl s PHE 139 CO 0.33 -0.63 0.05 -1.01 -1.46 0.00 0.00 175.22 172.49 1fnl s HIS 140 N 1.43 3.08 -0.38 10.12 3.76 -1.26 -0.79 115.29 131.24 1fnl s HIS 140 Ca 0.02 -0.43 -0.16 0.00 -0.15 0.00 0.00 55.06 54.34 1fnl s HIS 140 Cb -0.17 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.34 1fnl s HIS 140 CO -0.01 -0.32 0.40 0.42 -0.85 0.00 0.00 174.74 174.39 1fnl s ILE 141 N 1.42 5.13 0.11 0.60 1.01 0.24 -4.97 121.20 124.73 1fnl s ILE 141 Ca 0.05 -0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 1fnl s ILE 141 Cb -0.15 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 1fnl s ILE 141 CO 0.03 -0.26 1.42 -0.65 0.00 0.00 0.00 174.94 175.48 1fnl h PRO 142 N 8.60 -0.21 -3.27 2.79 0.11 -1.90 -1.33 132.00 136.79 1fnl h PRO 142 Ca -0.28 0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.41 1fnl h PRO 142 Cb 1.13 0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 1fnl h PRO 142 CO 0.75 -0.14 -0.75 0.15 -0.21 0.00 0.00 178.00 177.79 1fnl s LYS 143 N -5.02 0.16 0.30 1.05 1.02 -1.26 -3.85 119.74 112.14 1fnl s LYS 143 Ca -0.11 0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 1fnl s LYS 143 Cb 0.07 -1.39 -0.11 0.00 -0.52 0.00 0.00 37.83 35.89 1fnl s LYS 143 CO 0.48 -0.53 1.51 0.00 -0.92 0.00 0.00 175.35 175.90 1fnl s ALA 144 N 2.09 3.67 0.47 5.17 0.00 0.67 -4.71 121.76 129.12 1fnl s ALA 144 Ca 0.03 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1fnl s ALA 144 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1fnl s ALA 144 CO -0.07 -0.90 0.02 0.95 0.00 0.00 0.00 175.76 175.76 1fnl s THR 145 N -0.26 1.54 0.28 0.00 -4.23 -1.26 -0.75 115.64 110.96 1fnl s THR 145 Ca 0.59 -1.98 0.36 0.00 -1.18 0.00 0.00 61.69 59.48 1fnl s THR 145 Cb -0.45 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.27 1fnl s THR 145 CO 0.49 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.60 1fnl h LEU 146 N 1.50 0.00 -0.24 4.79 3.38 -1.95 -1.72 115.31 121.07 1fnl h LEU 146 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1fnl h LEU 146 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1fnl h LEU 146 CO 0.76 0.02 0.00 0.29 0.09 0.00 0.00 178.44 179.60 1fnl n LYS 147 N -3.14 0.07 0.00 1.13 5.02 -1.26 -2.47 118.16 117.51 1fnl n LYS 147 Ca -0.01 0.32 0.14 0.00 -2.02 0.00 0.00 58.31 56.74 1fnl n LYS 147 Cb 0.24 -1.63 0.60 0.00 -0.02 0.00 0.00 35.03 34.23 1fnl n LYS 147 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1fnl n ASP 148 N -1.75 0.50 -4.77 4.39 8.00 -0.64 -4.86 116.55 117.41 1fnl n ASP 148 Ca 0.03 -0.59 -0.38 0.00 0.71 0.00 0.00 54.79 54.56 1fnl n ASP 148 Cb 0.19 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1fnl n ASP 148 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1fnl s SER 149 N -2.47 6.41 0.00 -2.24 0.01 -1.03 -4.88 113.70 109.50 1fnl s SER 149 Ca 0.29 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1fnl s SER 149 Cb 0.20 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1fnl s SER 149 CO 0.48 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1fnl n GLY 150 N 0.57 -1.10 3.55 3.44 0.00 -0.42 -4.96 105.19 106.27 1fnl n GLY 150 Ca 0.05 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1fnl n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fnl s SER 151 N -1.85 6.25 0.12 1.61 0.15 -1.26 -0.57 113.70 118.15 1fnl s SER 151 Ca 0.00 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.56 1fnl s SER 151 Cb 0.00 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1fnl s SER 151 CO 0.00 -0.43 -0.01 -0.31 1.20 0.00 0.00 173.24 173.69 1fnl s TYR 152 N 2.23 2.90 0.24 3.44 1.51 0.18 -0.20 117.35 127.65 1fnl s TYR 152 Ca 0.15 -0.09 -0.22 0.00 -1.01 0.00 0.00 57.07 55.91 1fnl s TYR 152 Cb -0.16 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1fnl s TYR 152 CO 0.13 0.48 0.76 -0.59 -1.11 0.00 0.00 175.55 175.22 1fnl s PHE 153 N -1.45 -0.21 0.12 2.71 -0.12 -0.91 -0.27 117.98 117.85 1fnl s PHE 153 Ca 0.26 -0.19 0.02 0.00 -0.05 0.00 0.00 56.93 56.96 1fnl s PHE 153 Cb -0.11 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1fnl s PHE 153 CO 0.18 -1.11 -0.04 0.00 -0.05 0.00 0.00 175.22 174.20 1fnl s ARG 155 N -3.87 1.20 0.00 0.00 1.70 -0.79 -0.32 118.95 116.87 1fnl s ARG 155 Ca 0.15 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1fnl s ARG 155 Cb 0.06 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1fnl s ARG 155 CO -0.02 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 1fnl n GLY 156 N -0.26 0.91 3.30 3.88 0.00 -0.57 -1.15 105.19 111.30 1fnl n GLY 156 Ca -0.12 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1fnl n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fnl s LEU 157 N 0.00 2.11 -0.25 0.99 1.43 -0.02 -1.31 118.68 121.62 1fnl s LEU 157 Ca 0.00 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1fnl s LEU 157 Cb 0.00 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.91 1fnl s LEU 157 CO 0.00 0.28 -0.07 -0.69 0.23 0.00 0.00 176.35 176.10 1fnl s VAL 158 N -0.38 1.77 0.00 -1.59 1.01 -0.57 -0.53 120.40 120.11 1fnl s VAL 158 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1fnl s VAL 158 Cb -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1fnl s VAL 158 CO 0.02 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1fnl n GLY 159 N 4.58 3.04 0.52 4.51 0.00 -1.26 -1.27 105.19 115.31 1fnl n GLY 159 Ca -0.12 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.75 1fnl n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fnl n SER 160 N 7.89 2.70 -4.66 1.61 3.41 -1.26 -4.97 113.62 118.34 1fnl n SER 160 Ca 0.00 -1.95 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 1fnl n SER 160 Cb 0.00 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1fnl n SER 160 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1fnl s LYS 161 N -0.98 4.17 -0.06 4.33 2.20 -0.40 -5.04 119.74 123.96 1fnl s LYS 161 Ca 0.19 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.83 1fnl s LYS 161 Cb 0.10 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1fnl s LYS 161 CO 0.13 -0.12 0.95 -0.80 -0.36 0.00 0.00 175.35 175.15 1fnl s ASN 162 N 1.14 7.26 0.10 1.43 0.01 -1.26 -1.51 114.94 122.10 1fnl s ASN 162 Ca 0.22 1.53 0.05 0.00 -0.71 0.00 0.00 52.86 53.95 1fnl s ASN 162 Cb -0.15 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1fnl s ASN 162 CO 0.09 -0.32 -0.12 0.68 -1.51 0.00 0.00 177.10 175.92 1fnl s VAL 163 N 1.42 1.07 -0.00 1.60 -7.23 -0.43 -5.00 120.40 111.83 1fnl s VAL 163 Ca 0.48 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1fnl s VAL 163 Cb -0.19 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1fnl s VAL 163 CO 0.22 -0.44 0.01 -0.44 -0.31 0.00 0.00 175.10 174.14 1fnl s SER 164 N -2.26 -0.00 0.71 4.85 0.01 -1.26 -1.51 113.70 114.25 1fnl s SER 164 Ca 0.04 0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.21 1fnl s SER 164 Cb -0.05 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1fnl s SER 164 CO 0.01 -0.01 1.08 -0.94 0.41 0.00 0.00 173.24 173.80 1fnl s SER 165 N 0.06 5.19 0.85 2.44 1.04 0.56 -4.78 113.70 119.07 1fnl s SER 165 Ca -0.00 0.94 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 1fnl s SER 165 Cb -0.01 -1.68 0.10 0.00 0.10 0.00 0.00 66.02 64.54 1fnl s SER 165 CO -0.00 -1.46 1.09 -1.61 0.98 0.00 0.00 173.24 172.24 1fnl s GLU 166 N -5.35 1.62 0.36 4.02 2.02 -1.26 -4.62 118.70 115.49 1fnl s GLU 166 Ca 0.59 0.80 -0.12 0.00 0.02 0.00 0.00 54.97 56.25 1fnl s GLU 166 Cb -0.11 -1.85 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 1fnl s GLU 166 CO 0.50 -1.98 0.74 0.95 0.02 0.00 0.00 175.26 175.48 1fnl s THR 167 N -3.00 4.75 -0.09 3.63 -4.23 -1.26 -4.59 115.64 110.84 1fnl s THR 167 Ca 0.62 0.74 0.01 0.00 -1.18 0.00 0.00 61.69 61.89 1fnl s THR 167 Cb -0.17 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1fnl s THR 167 CO 0.56 -0.35 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.48 1fnl s VAL 168 N -2.17 1.24 -0.23 2.29 1.01 0.63 -4.93 120.40 118.23 1fnl s VAL 168 Ca 0.52 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 1fnl s VAL 168 Cb -0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1fnl s VAL 168 CO 0.25 0.39 0.54 0.20 0.00 0.00 0.00 175.10 176.47 1fnl s ASN 169 N 1.05 6.51 -0.14 3.32 0.01 -1.26 -0.65 114.94 123.79 1fnl s ASN 169 Ca -0.07 0.62 -0.03 0.00 -0.71 0.00 0.00 52.86 52.68 1fnl s ASN 169 Cb -0.15 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 1fnl s ASN 169 CO -0.01 -0.26 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.65 1fnl s ILE 170 N 2.06 3.91 -0.09 0.60 1.01 0.27 -4.86 121.20 124.10 1fnl s ILE 170 Ca 0.23 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1fnl s ILE 170 Cb -0.16 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1fnl s ILE 170 CO 0.09 0.52 -0.16 -0.89 0.00 0.00 0.00 174.94 174.50 1fnl s THR 171 N 0.08 2.87 -0.19 2.92 2.01 -0.26 -1.30 115.64 121.77 1fnl s THR 171 Ca -0.00 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1fnl s THR 171 Cb -0.13 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1fnl s THR 171 CO 0.03 0.56 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.85 1fnl s ILE 172 N -0.15 3.67 0.12 1.82 -1.09 -1.26 -0.84 121.20 123.47 1fnl s ILE 172 Ca -0.02 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 57.97 1fnl s ILE 172 Cb -0.14 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 1fnl s ILE 172 CO 0.03 0.45 0.30 0.42 -1.23 0.00 0.00 174.94 174.92 1fnl s THR 173 N 0.92 5.28 0.11 2.92 -4.23 0.87 -4.92 115.64 116.58 1fnl s THR 173 Ca -0.00 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 1fnl s THR 173 Cb -0.15 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1fnl s THR 173 CO 0.01 0.04 0.12 1.67 -0.54 0.00 0.00 174.62 175.93 1fnl n GLN 174 N 0.01 -0.70 -0.96 3.99 7.27 -1.26 -1.52 117.38 124.22 1fnl n GLN 174 Ca -0.04 -0.19 0.00 0.00 0.07 0.00 0.00 57.00 56.84 1fnl n GLN 174 Cb 0.52 -0.15 0.00 0.00 2.41 0.00 0.00 30.24 33.01 1fnl n GLN 174 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13