#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa4 s THR 2 N 0.00 -0.07 0.36 2.62 2.01 -1.26 -1.27 115.64 118.02 1fa4 s THR 2 Ca 0.00 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.39 1fa4 s THR 2 Cb 0.00 -0.14 -0.06 0.00 0.01 0.00 0.00 72.50 72.30 1fa4 s THR 2 CO 0.00 0.15 0.05 -0.31 -0.69 0.00 0.00 174.62 173.82 1fa4 s TYR 3 N 1.80 2.07 -0.27 4.92 1.51 -0.18 -4.99 117.35 122.20 1fa4 s TYR 3 Ca 0.00 -0.92 -0.07 0.00 -1.01 0.00 0.00 57.07 55.08 1fa4 s TYR 3 Cb -0.12 -1.40 0.13 0.00 -0.11 0.00 0.00 41.96 40.46 1fa4 s TYR 3 CO -0.03 0.09 0.56 0.99 -1.11 0.00 0.00 175.55 176.06 1fa4 s THR 4 N -3.15 -0.89 0.46 -0.71 2.01 -1.26 -0.82 115.64 111.29 1fa4 s THR 4 Ca 0.34 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.44 1fa4 s THR 4 Cb 0.08 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.71 1fa4 s THR 4 CO 0.16 0.01 0.63 0.68 -0.69 0.00 0.00 174.62 175.40 1fa4 s VAL 5 N 2.80 2.86 -0.38 3.82 -7.23 -0.43 -4.93 120.40 116.90 1fa4 s VAL 5 Ca 0.02 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1fa4 s VAL 5 Cb -0.13 -2.93 0.15 0.00 0.56 0.00 0.00 36.38 34.04 1fa4 s VAL 5 CO -0.18 0.00 0.32 -0.75 -0.31 0.00 0.00 175.10 174.18 1fa4 s LYS 6 N -4.47 0.69 -0.72 4.82 2.20 -1.26 -3.46 119.74 117.54 1fa4 s LYS 6 Ca 0.56 -1.35 -0.28 0.00 -0.36 0.00 0.00 55.97 54.53 1fa4 s LYS 6 Cb -0.10 -1.08 -0.14 0.00 -1.51 0.00 0.00 37.83 35.01 1fa4 s LYS 6 CO 0.35 -1.25 2.54 1.47 -0.36 0.00 0.00 175.35 178.10 1fa4 n LEU 7 N 3.76 1.40 0.00 5.43 -0.00 -1.24 -4.24 117.00 122.12 1fa4 n LEU 7 Ca 0.16 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1fa4 n LEU 7 Cb 0.43 -1.28 0.00 0.00 -0.00 0.00 0.00 43.42 42.57 1fa4 n LEU 7 CO 0.10 -1.19 0.00 0.61 -0.00 0.00 0.00 177.39 176.91 1fa4 n GLY 8 N 6.24 2.26 0.00 1.47 0.00 -0.57 -3.41 105.19 111.18 1fa4 n GLY 8 Ca 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1fa4 n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fa4 n SER 9 N 0.00 0.00 0.00 1.61 3.41 -1.21 -4.82 113.62 112.61 1fa4 n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fa4 n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fa4 n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1fa4 n ASP 10 N 0.00 0.00 0.00 4.04 2.03 -1.26 -5.02 116.55 116.34 1fa4 n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1fa4 n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1fa4 n ASP 10 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fa4 n LYS 11 N 0.00 0.00 0.00 -0.67 4.81 -1.26 -5.03 118.16 116.01 1fa4 n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1fa4 n LYS 11 Cb 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 35.03 34.60 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa4 n GLY 12 N 1.86 0.00 3.30 3.14 0.00 -1.26 -5.17 105.19 107.07 1fa4 n GLY 12 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1fa4 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fa4 s LEU 13 N 0.00 0.72 -0.31 0.99 1.43 -1.26 -5.10 118.68 115.15 1fa4 s LEU 13 Ca 0.00 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1fa4 s LEU 13 Cb 0.00 1.57 0.09 0.00 0.03 0.00 0.00 46.19 47.88 1fa4 s LEU 13 CO 0.00 -0.84 0.00 -0.76 0.23 0.00 0.00 176.35 174.98 1fa4 s LEU 14 N -2.84 4.25 -0.13 1.79 1.43 -1.26 -3.36 118.68 118.55 1fa4 s LEU 14 Ca 0.05 -1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 51.14 1fa4 s LEU 14 Cb 0.03 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1fa4 s LEU 14 CO -0.10 -0.32 0.35 0.68 0.23 0.00 0.00 176.35 177.19 1fa4 s VAL 15 N 0.99 -0.00 0.74 -1.59 -7.23 -1.26 -3.98 120.40 108.07 1fa4 s VAL 15 Ca 0.05 0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 1fa4 s VAL 15 Cb -0.19 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.26 1fa4 s VAL 15 CO -0.08 0.01 0.96 0.49 -0.31 0.00 0.00 175.10 176.17 1fa4 n PHE 16 N 3.08 0.61 -3.49 2.82 3.01 -1.09 -1.52 117.46 120.88 1fa4 n PHE 16 Ca -0.15 0.39 -0.22 0.00 1.01 0.00 0.00 57.45 58.48 1fa4 n PHE 16 Cb 0.57 -2.07 -0.13 0.00 -0.01 0.00 0.00 39.48 37.84 1fa4 n PHE 16 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1fa4 s GLU 17 N -3.42 0.22 0.99 -1.08 0.41 -1.26 -3.51 118.70 111.05 1fa4 s GLU 17 Ca 0.72 -0.18 -0.17 0.00 -0.41 0.00 0.00 54.97 54.94 1fa4 s GLU 17 Cb -0.33 -1.09 0.21 0.00 -1.78 0.00 0.00 34.13 31.14 1fa4 s GLU 17 CO 0.51 -0.89 1.32 -1.25 -0.49 0.00 0.00 175.26 174.46 1fa4 s PRO 18 N 2.24 0.42 -0.06 0.39 0.04 -1.26 -4.05 135.00 132.72 1fa4 s PRO 18 Ca 0.08 -0.42 -0.25 0.00 0.04 0.00 0.00 61.00 60.45 1fa4 s PRO 18 Cb -0.15 -1.82 -0.20 0.00 0.04 0.00 0.00 34.50 32.37 1fa4 s PRO 18 CO -0.26 -2.56 1.03 0.00 0.04 0.00 0.00 177.00 175.24 1fa4 h ALA 19 N -1.75 -0.07 -2.79 8.56 0.00 -1.93 -3.44 119.26 117.84 1fa4 h ALA 19 Ca -0.44 -0.29 -0.63 0.00 0.00 0.00 0.00 54.91 53.54 1fa4 h ALA 19 Cb 1.23 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1fa4 h ALA 19 CO 0.36 -0.21 -0.46 -1.59 0.00 0.00 0.00 179.25 177.35 1fa4 s LYS 20 N -3.53 3.48 -0.00 0.00 -2.85 -1.26 -3.16 119.74 112.42 1fa4 s LYS 20 Ca -0.16 -0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 54.55 1fa4 s LYS 20 Cb 0.00 -3.07 -0.00 0.00 -2.06 0.00 0.00 37.83 32.70 1fa4 s LYS 20 CO 0.61 0.65 0.01 -0.51 0.10 0.00 0.00 175.35 176.21 1fa4 s LEU 21 N -2.00 1.99 -0.20 2.77 1.43 -0.96 -4.95 118.68 116.76 1fa4 s LEU 21 Ca 0.29 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1fa4 s LEU 21 Cb -0.13 0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.14 1fa4 s LEU 21 CO 0.19 -0.08 0.03 -0.89 0.23 0.00 0.00 176.35 175.84 1fa4 s THR 22 N -0.34 4.29 0.30 5.49 2.01 -1.26 0.15 115.64 126.28 1fa4 s THR 22 Ca -0.04 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1fa4 s THR 22 Cb -0.02 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1fa4 s THR 22 CO -0.00 0.43 0.18 0.27 -0.69 0.00 0.00 174.62 174.80 1fa4 s ILE 23 N 0.83 0.24 0.54 1.82 -5.25 -0.11 -4.85 121.20 114.42 1fa4 s ILE 23 Ca 0.02 -2.00 0.05 0.00 -0.99 0.00 0.00 60.65 57.73 1fa4 s ILE 23 Cb -0.14 -2.50 0.05 0.00 2.95 0.00 0.00 42.46 42.82 1fa4 s ILE 23 CO 0.02 0.00 0.75 -0.54 -1.79 0.00 0.00 174.94 173.38 1fa4 s LYS 24 N -3.78 2.43 -0.95 0.37 3.01 -1.26 -3.69 119.74 115.87 1fa4 s LYS 24 Ca 0.36 -1.17 -0.24 0.00 -1.01 0.00 0.00 55.97 53.92 1fa4 s LYS 24 Cb 0.05 -2.58 0.03 0.00 -1.01 0.00 0.00 37.83 34.31 1fa4 s LYS 24 CO 0.19 -0.73 1.54 -1.25 0.51 0.00 0.00 175.35 175.61 1fa4 s PRO 25 N -4.68 3.30 0.00 -1.68 0.04 -1.26 -2.78 135.00 127.94 1fa4 s PRO 25 Ca 0.59 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1fa4 s PRO 25 Cb -0.08 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1fa4 s PRO 25 CO 0.38 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1fa4 n GLY 26 N 6.64 1.43 2.71 0.56 0.00 0.35 -4.03 105.19 112.85 1fa4 n GLY 26 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 1fa4 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fa4 n ASP 27 N 0.00 -3.49 -4.23 1.61 9.92 -1.12 -4.36 116.55 114.89 1fa4 n ASP 27 Ca 0.00 -0.61 -0.27 0.00 -0.53 0.00 0.00 54.79 53.38 1fa4 n ASP 27 Cb 0.00 -0.79 -0.15 0.00 -0.64 0.00 0.00 41.12 39.54 1fa4 n ASP 27 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1fa4 s THR 28 N -1.92 1.65 -0.11 -3.53 2.01 -0.40 -2.01 115.64 111.33 1fa4 s THR 28 Ca 0.47 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1fa4 s THR 28 Cb -0.08 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.07 1fa4 s THR 28 CO 0.39 0.41 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.99 1fa4 s VAL 29 N -0.55 0.88 -0.15 3.82 1.01 -1.14 -1.01 120.40 123.25 1fa4 s VAL 29 Ca 0.08 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1fa4 s VAL 29 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1fa4 s VAL 29 CO -0.00 0.31 0.16 -0.70 0.00 0.00 0.00 175.10 174.86 1fa4 s GLU 30 N 1.76 3.77 0.11 2.72 2.12 -0.00 -3.20 118.70 125.99 1fa4 s GLU 30 Ca 0.04 -0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.32 1fa4 s GLU 30 Cb -0.13 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1fa4 s GLU 30 CO -0.08 0.58 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.99 1fa4 s PHE 31 N -0.45 1.58 0.00 5.30 0.40 -1.26 -1.31 117.98 122.24 1fa4 s PHE 31 Ca 0.13 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1fa4 s PHE 31 Cb -0.12 -0.85 -0.00 0.00 0.51 0.00 0.00 43.02 42.57 1fa4 s PHE 31 CO 0.02 0.18 0.00 1.28 0.70 0.00 0.00 175.22 177.41 1fa4 n LEU 32 N 0.86 0.00 -4.73 -0.37 4.32 -1.22 -0.56 117.00 115.28 1fa4 n LEU 32 Ca -0.18 -0.02 -0.25 0.00 -0.02 0.00 0.00 56.01 55.54 1fa4 n LEU 32 Cb 0.55 0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.29 1fa4 n LEU 32 CO 0.24 -0.00 -0.16 0.54 -1.22 0.00 0.00 177.39 176.79 1fa4 s ASN 33 N -1.02 4.41 0.00 -1.43 4.22 -1.26 -3.71 114.94 116.15 1fa4 s ASN 33 Ca 0.00 -1.08 0.00 0.00 -2.14 0.00 0.00 52.86 49.64 1fa4 s ASN 33 Cb 0.00 -0.48 0.00 0.00 1.28 0.00 0.00 41.25 42.05 1fa4 s ASN 33 CO 0.00 -0.53 0.00 -3.20 -2.04 0.00 0.00 177.10 171.33 1fa4 n ASN 34 N -1.22 0.00 -1.86 3.54 5.15 -1.22 -3.56 115.26 116.08 1fa4 n ASN 34 Ca -0.01 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.98 1fa4 n ASN 34 Cb 0.65 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.92 1fa4 n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fa4 n LYS 35 N 0.00 0.53 -2.92 1.20 4.81 -1.26 -4.72 118.16 115.80 1fa4 n LYS 35 Ca 0.00 -2.26 -0.13 0.00 -0.87 0.00 0.00 58.31 55.05 1fa4 n LYS 35 Cb 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 35.03 34.73 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1fa4 n VAL 36 N 0.06 -0.05 -1.73 3.15 0.31 -1.26 -5.12 118.33 113.68 1fa4 n VAL 36 Ca 0.02 -2.79 -0.29 0.00 -0.01 0.00 0.00 64.34 61.26 1fa4 n VAL 36 Cb 1.00 0.76 0.15 0.00 -0.91 0.00 0.00 33.84 34.83 1fa4 n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1fa4 s PRO 37 N -0.89 0.99 0.00 5.55 0.04 -1.26 -4.82 135.00 134.61 1fa4 s PRO 37 Ca 0.29 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1fa4 s PRO 37 Cb 0.32 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 33.01 1fa4 s PRO 37 CO -0.06 -2.24 0.00 -0.35 0.04 0.00 0.00 177.00 174.39 1fa4 n PRO 38 N -3.73 1.51 -3.64 0.56 -0.04 -1.26 -5.12 135.00 123.29 1fa4 n PRO 38 Ca 0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1fa4 n PRO 38 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 1fa4 n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fa4 s HIS 39 N 0.26 -1.04 -0.45 0.54 3.76 -1.25 -4.92 115.29 112.19 1fa4 s HIS 39 Ca 0.00 2.06 -0.14 0.00 -0.15 0.00 0.00 55.06 56.82 1fa4 s HIS 39 Cb 0.00 0.62 0.06 0.00 1.11 0.00 0.00 32.58 34.37 1fa4 s HIS 39 CO 0.00 -0.51 0.36 1.21 -0.85 0.00 0.00 174.74 174.94 1fa4 s ASN 40 N 1.67 6.06 -0.27 1.40 2.47 -1.26 -3.84 114.94 121.16 1fa4 s ASN 40 Ca -0.10 -1.28 -0.11 0.00 0.42 0.00 0.00 52.86 51.79 1fa4 s ASN 40 Cb -0.05 -2.15 -0.05 0.00 -1.45 0.00 0.00 41.25 37.55 1fa4 s ASN 40 CO -0.19 -0.59 0.20 -0.69 -3.72 0.00 0.00 177.10 172.10 1fa4 s VAL 41 N 1.61 5.31 0.12 -5.21 1.01 -1.26 -4.10 120.40 117.87 1fa4 s VAL 41 Ca 0.04 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 1fa4 s VAL 41 Cb -0.23 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1fa4 s VAL 41 CO 0.07 0.26 0.60 0.68 0.00 0.00 0.00 175.10 176.70 1fa4 s VAL 42 N 1.69 0.01 -0.33 2.92 -7.23 -1.26 -3.58 120.40 112.63 1fa4 s VAL 42 Ca 0.08 -0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.04 1fa4 s VAL 42 Cb -0.16 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 1fa4 s VAL 42 CO 0.10 -0.02 0.45 -0.36 -0.31 0.00 0.00 175.10 174.95 1fa4 s PHE 43 N -3.25 3.21 0.14 2.82 0.08 -1.26 -2.80 117.98 116.92 1fa4 s PHE 43 Ca -0.01 0.20 -0.35 0.00 0.12 0.00 0.00 56.93 56.89 1fa4 s PHE 43 Cb -0.01 -2.77 -0.15 0.00 -0.57 0.00 0.00 43.02 39.52 1fa4 s PHE 43 CO -0.08 -0.43 1.49 -3.47 -0.10 0.00 0.00 175.22 172.63 1fa4 n ASP 44 N 5.55 2.59 -0.12 1.36 2.03 -0.78 -4.83 116.55 122.36 1fa4 n ASP 44 Ca -0.07 1.10 0.15 0.00 0.52 0.00 0.00 54.79 56.49 1fa4 n ASP 44 Cb 0.49 -1.35 0.76 0.00 -0.72 0.00 0.00 41.12 40.31 1fa4 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n ALA 45 N 3.08 2.66 -0.50 -1.67 0.00 -1.26 -3.21 120.51 119.61 1fa4 n ALA 45 Ca 0.17 -0.25 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1fa4 n ALA 45 Cb 0.25 -1.41 0.30 0.00 0.00 0.00 0.00 19.45 18.60 1fa4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fa4 n ALA 46 N -0.81 2.70 -2.81 0.00 0.00 -1.26 -4.49 120.51 113.84 1fa4 n ALA 46 Ca 0.19 -1.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.02 1fa4 n ALA 46 Cb 0.21 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1fa4 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fa4 n LEU 47 N 0.98 1.30 -4.87 0.00 4.77 -1.20 -5.10 117.00 112.87 1fa4 n LEU 47 Ca 0.22 -4.09 -0.21 0.00 -0.03 0.00 0.00 56.01 51.91 1fa4 n LEU 47 Cb 0.72 0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 42.28 1fa4 n LEU 47 CO 0.18 1.77 -0.07 0.54 -1.33 0.00 0.00 177.39 178.48 1fa4 s ASN 48 N -2.93 5.45 0.44 -1.43 2.20 -1.26 -4.37 114.94 113.04 1fa4 s ASN 48 Ca 0.31 -0.41 0.24 0.00 -0.94 0.00 0.00 52.86 52.06 1fa4 s ASN 48 Cb 0.43 -1.09 0.50 0.00 -2.00 0.00 0.00 41.25 39.09 1fa4 s ASN 48 CO 0.00 -0.32 1.66 1.55 -2.94 0.00 0.00 177.10 177.06 1fa4 h PRO 49 N 1.22 0.00 0.00 3.55 0.13 -1.86 -3.28 132.00 131.76 1fa4 h PRO 49 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1fa4 h PRO 49 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1fa4 h PRO 49 CO 0.58 0.06 -0.48 0.00 -0.23 0.00 0.00 178.00 177.92 1fa4 n ALA 50 N -2.12 2.86 -3.15 -0.56 0.00 -1.26 -4.97 120.51 111.32 1fa4 n ALA 50 Ca 0.03 -2.68 -0.21 0.00 0.00 0.00 0.00 53.44 50.58 1fa4 n ALA 50 Cb 0.51 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1fa4 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fa4 n LYS 51 N -0.75 -1.32 -0.23 0.00 4.76 -1.24 -4.85 118.16 114.53 1fa4 n LYS 51 Ca 0.13 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1fa4 n LYS 51 Cb 0.77 -3.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 1fa4 n LYS 51 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1fa4 n SER 52 N -1.41 0.00 -2.74 4.39 7.64 -1.26 -5.06 113.62 115.18 1fa4 n SER 52 Ca 0.06 -0.23 -0.04 0.00 1.01 0.00 0.00 58.87 59.67 1fa4 n SER 52 Cb 0.34 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1fa4 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fa4 s ALA 53 N -2.03 -3.02 0.00 -0.43 0.00 -1.26 -4.97 121.76 110.06 1fa4 s ALA 53 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1fa4 s ALA 53 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1fa4 s ALA 53 CO 0.00 -2.35 0.00 -3.47 0.00 0.00 0.00 175.76 169.94 1fa4 n ASP 54 N 2.85 0.00 0.23 0.00 2.03 -1.26 -4.81 116.55 115.59 1fa4 n ASP 54 Ca 0.15 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.62 1fa4 n ASP 54 Cb 0.59 0.36 0.81 0.00 -0.72 0.00 0.00 41.12 42.16 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1fa4 h LEU 55 N 0.00 0.00 0.01 -2.67 8.10 -1.98 -1.34 115.31 117.42 1fa4 h LEU 55 Ca 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 57.69 1fa4 h LEU 55 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 1fa4 h LEU 55 CO 0.00 0.00 -1.73 0.00 -4.11 0.00 0.00 178.44 172.60 1fa4 n ALA 56 N -1.92 1.47 -0.17 0.17 0.00 -1.26 -4.09 120.51 114.71 1fa4 n ALA 56 Ca -0.01 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.57 1fa4 n ALA 56 Cb 0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 1fa4 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1fa4 h LYS 57 N 0.00 -0.19 -1.97 0.00 1.79 -1.55 0.43 116.57 115.09 1fa4 h LYS 57 Ca -0.29 0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.59 1fa4 h LYS 57 Cb 2.02 0.04 -0.21 0.00 -1.58 0.00 0.00 32.23 32.50 1fa4 h LYS 57 CO 0.08 -0.12 0.66 0.43 -1.08 0.00 0.00 179.45 179.41 1fa4 n SER 58 N -4.64 6.90 0.12 0.86 7.64 -1.25 -4.36 113.62 118.89 1fa4 n SER 58 Ca -0.01 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1fa4 n SER 58 Cb 0.23 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1fa4 n LEU 59 N 0.29 0.05 -4.82 -3.43 7.94 0.11 -4.95 117.00 112.20 1fa4 n LEU 59 Ca 0.51 0.40 -0.33 0.00 -1.11 0.00 0.00 56.01 55.48 1fa4 n LEU 59 Cb 0.43 0.26 -0.03 0.00 0.53 0.00 0.00 43.42 44.61 1fa4 n LEU 59 CO 0.41 -0.77 0.69 -0.94 -1.11 0.00 0.00 177.39 175.67 1fa4 s SER 60 N -5.10 6.46 0.12 1.96 1.04 -1.01 -4.86 113.70 112.32 1fa4 s SER 60 Ca 0.00 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1fa4 s SER 60 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1fa4 s SER 60 CO 0.00 -0.70 0.00 0.00 0.98 0.00 0.00 173.24 173.52 1fa4 n HIS 61 N -1.27 -2.70 0.00 5.02 1.44 -1.23 -4.98 115.22 111.50 1fa4 n HIS 61 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1fa4 n HIS 61 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1fa4 n HIS 61 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1fa4 n LYS 62 N -0.86 0.00 -2.02 -1.40 0.00 -1.26 -4.91 118.16 107.71 1fa4 n LYS 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1fa4 n LYS 62 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 35.03 34.83 1fa4 n LYS 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1fa4 s GLN 63 N -1.62 4.26 1.19 1.64 0.74 -1.26 -4.97 119.66 119.65 1fa4 s GLN 63 Ca 0.00 2.28 -0.14 0.00 0.05 0.00 0.00 55.36 57.55 1fa4 s GLN 63 Cb 0.00 -3.14 0.28 0.00 1.10 0.00 0.00 33.01 31.24 1fa4 s GLN 63 CO 0.00 -0.47 0.87 1.28 -0.55 0.00 0.00 175.29 176.42 1fa4 n LEU 64 N 3.05 -1.90 -4.30 3.68 4.32 -1.26 -5.00 117.00 115.59 1fa4 n LEU 64 Ca 0.09 -0.20 -0.33 0.00 -0.02 0.00 0.00 56.01 55.55 1fa4 n LEU 64 Cb 0.40 -1.20 -0.15 0.00 -1.62 0.00 0.00 43.42 40.85 1fa4 n LEU 64 CO 0.60 -3.34 -0.47 -0.76 -1.22 0.00 0.00 177.39 172.20 1fa4 s LEU 65 N -6.49 2.55 0.00 2.23 1.43 -1.25 -4.95 118.68 112.20 1fa4 s LEU 65 Ca 0.67 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1fa4 s LEU 65 Cb -0.24 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1fa4 s LEU 65 CO 0.66 0.11 0.98 0.23 0.23 0.00 0.00 176.35 178.56 1fa4 n MET 66 N 3.87 2.87 -3.53 1.70 2.81 -1.26 -3.76 117.12 119.82 1fa4 n MET 66 Ca -0.19 -1.46 -0.38 0.00 -1.81 0.00 0.00 57.70 53.86 1fa4 n MET 66 Cb 0.52 -0.99 -0.06 0.00 -0.71 0.00 0.00 33.22 31.98 1fa4 n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1fa4 s SER 67 N -0.96 6.73 -0.86 7.83 0.15 -1.26 -5.02 113.70 120.31 1fa4 s SER 67 Ca 0.00 0.87 -0.25 0.00 0.70 0.00 0.00 55.95 57.27 1fa4 s SER 67 Cb 0.00 -2.23 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1fa4 s SER 67 CO 0.00 0.29 1.36 -2.16 1.20 0.00 0.00 173.24 173.93 1fa4 s PRO 68 N -0.82 3.36 0.00 5.44 0.04 -1.26 -3.78 135.00 137.98 1fa4 s PRO 68 Ca 0.22 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1fa4 s PRO 68 Cb -0.16 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1fa4 s PRO 68 CO 0.11 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1fa4 n GLY 69 N 6.04 0.57 3.15 0.56 0.00 -1.23 -4.93 105.19 109.34 1fa4 n GLY 69 Ca 0.16 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1fa4 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fa4 s GLN 70 N 0.80 0.02 0.00 1.61 0.74 -1.25 -4.80 119.66 116.79 1fa4 s GLN 70 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1fa4 s GLN 70 Cb 0.00 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.12 1fa4 s GLN 70 CO 0.00 -0.04 0.00 -1.13 -0.55 0.00 0.00 175.29 173.57 1fa4 n SER 71 N 5.02 0.00 -3.15 6.67 3.41 0.27 -4.54 113.62 121.30 1fa4 n SER 71 Ca 0.11 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.76 1fa4 n SER 71 Cb 0.59 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1fa4 n SER 71 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1fa4 s THR 72 N -0.04 -0.96 -0.75 6.66 -1.32 -1.17 -4.98 115.64 113.09 1fa4 s THR 72 Ca 0.00 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 1fa4 s THR 72 Cb 0.00 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1fa4 s THR 72 CO 0.00 0.00 1.33 -0.44 -2.21 0.00 0.00 174.62 173.30 1fa4 s SER 73 N 2.86 6.11 -0.23 8.08 0.01 -1.26 -4.07 113.70 125.20 1fa4 s SER 73 Ca 0.18 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 1fa4 s SER 73 Cb -0.14 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1fa4 s SER 73 CO -0.22 -1.86 0.10 -0.89 0.41 0.00 0.00 173.24 170.78 1fa4 s THR 74 N 5.96 4.87 -0.82 1.44 2.01 -1.19 -4.99 115.64 122.91 1fa4 s THR 74 Ca 0.38 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 1fa4 s THR 74 Cb -0.08 -3.25 0.11 0.00 0.01 0.00 0.00 72.50 69.29 1fa4 s THR 74 CO 0.14 0.38 1.03 0.28 -0.69 0.00 0.00 174.62 175.76 1fa4 s THR 75 N 1.03 4.65 0.86 -0.82 -1.32 -1.26 -2.91 115.64 115.86 1fa4 s THR 75 Ca 0.05 -1.22 -0.17 0.00 -1.21 0.00 0.00 61.69 59.15 1fa4 s THR 75 Cb -0.14 -4.72 -0.15 0.00 -1.51 0.00 0.00 72.50 65.98 1fa4 s THR 75 CO 0.04 -1.45 -0.61 0.49 -2.21 0.00 0.00 174.62 170.88 1fa4 n PHE 76 N 6.78 -4.56 -1.60 9.09 3.01 -0.85 -4.90 117.46 124.43 1fa4 n PHE 76 Ca 0.13 0.10 -0.31 0.00 1.01 0.00 0.00 57.45 58.38 1fa4 n PHE 76 Cb 0.47 -1.50 0.06 0.00 -0.01 0.00 0.00 39.48 38.50 1fa4 n PHE 76 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1fa4 s PRO 77 N -1.71 2.72 0.00 -1.08 0.04 -1.26 -4.14 135.00 129.57 1fa4 s PRO 77 Ca 0.45 0.83 0.11 0.00 0.04 0.00 0.00 61.00 62.43 1fa4 s PRO 77 Cb -0.27 -1.98 0.68 0.00 0.04 0.00 0.00 34.50 32.97 1fa4 s PRO 77 CO 0.78 -1.22 1.23 0.00 0.04 0.00 0.00 177.00 177.83 1fa4 n ALA 78 N -3.19 2.29 -0.02 8.56 0.00 -1.26 0.13 120.51 127.02 1fa4 n ALA 78 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1fa4 n ALA 78 Cb 0.54 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1fa4 n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fa4 n ASP 79 N -0.74 0.53 -3.60 0.00 2.03 -1.26 -4.59 116.55 108.92 1fa4 n ASP 79 Ca 0.09 0.13 -0.34 0.00 0.52 0.00 0.00 54.79 55.19 1fa4 n ASP 79 Cb 0.04 -0.57 0.03 0.00 -0.72 0.00 0.00 41.12 39.89 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n ALA 80 N -2.99 -2.48 -2.50 -1.67 0.00 -1.25 -4.70 120.51 104.92 1fa4 n ALA 80 Ca -0.04 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1fa4 n ALA 80 Cb 0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 1fa4 n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fa4 s PRO 81 N -3.32 4.23 -0.03 0.00 0.04 -1.26 -4.58 135.00 130.07 1fa4 s PRO 81 Ca 0.25 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1fa4 s PRO 81 Cb -0.03 -3.73 0.01 0.00 0.04 0.00 0.00 34.50 30.80 1fa4 s PRO 81 CO 0.88 -0.69 0.06 0.00 0.04 0.00 0.00 177.00 177.29 1fa4 n ALA 82 N 6.54 -1.92 -1.48 8.56 0.00 -1.24 -4.49 120.51 126.48 1fa4 n ALA 82 Ca 0.13 0.71 -0.44 0.00 0.00 0.00 0.00 53.44 53.84 1fa4 n ALA 82 Cb 0.45 -1.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 1fa4 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa4 n GLY 83 N 1.99 0.02 2.71 0.00 0.00 0.72 -4.69 105.19 105.95 1fa4 n GLY 83 Ca -0.09 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 46.79 1fa4 n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fa4 n GLU 84 N 8.49 1.12 -4.48 1.61 4.07 -1.25 -4.50 120.64 125.71 1fa4 n GLU 84 Ca 0.50 -1.83 -0.34 0.00 -0.06 0.00 0.00 57.16 55.42 1fa4 n GLU 84 Cb 0.23 -0.36 -0.13 0.00 -0.06 0.00 0.00 31.44 31.12 1fa4 n GLU 84 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1fa4 s TYR 85 N 0.22 2.93 -0.19 4.31 2.02 -1.22 -3.87 117.35 121.54 1fa4 s TYR 85 Ca 0.22 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1fa4 s TYR 85 Cb 0.36 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1fa4 s TYR 85 CO -0.08 -0.18 -0.10 0.99 -1.57 0.00 0.00 175.55 174.61 1fa4 s THR 86 N 0.53 1.59 0.32 -0.71 2.01 -1.26 -1.24 115.64 116.87 1fa4 s THR 86 Ca -0.05 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.05 1fa4 s THR 86 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1fa4 s THR 86 CO 0.03 0.18 0.45 0.72 -0.69 0.00 0.00 174.62 175.31 1fa4 s PHE 87 N 1.42 3.17 0.00 4.92 -0.71 0.09 -1.87 117.98 124.99 1fa4 s PHE 87 Ca -0.01 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.69 1fa4 s PHE 87 Cb -0.16 -1.93 0.00 0.00 -1.21 0.00 0.00 43.02 39.72 1fa4 s PHE 87 CO -0.08 0.06 0.00 2.48 -1.34 0.00 0.00 175.22 176.33 1fa4 n TYR 88 N -1.61 -0.18 -4.01 3.49 0.18 -1.12 -2.01 117.16 111.90 1fa4 n TYR 88 Ca -0.01 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.54 1fa4 n TYR 88 Cb 0.58 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.37 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1fa4 h GLU 90 N 7.76 0.78 0.01 0.00 4.81 -1.95 -2.98 114.58 123.00 1fa4 h GLU 90 Ca -0.29 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1fa4 h GLU 90 Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1fa4 h GLU 90 CO 0.39 0.60 -0.00 -1.00 -0.73 0.00 0.00 179.01 178.26 1fa4 h PRO 91 N 0.76 -0.01 -2.78 0.92 0.13 -1.95 -3.35 132.00 125.71 1fa4 h PRO 91 Ca 0.20 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.97 1fa4 h PRO 91 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1fa4 h PRO 91 CO -0.03 -0.01 1.74 0.72 -0.23 0.00 0.00 178.00 180.19 1fa4 n HIS 92 N -2.90 1.06 -2.69 1.56 8.25 -1.25 -4.86 115.22 114.39 1fa4 n HIS 92 Ca -0.00 -1.94 -0.43 0.00 -0.26 0.00 0.00 57.72 55.09 1fa4 n HIS 92 Cb 0.01 -1.76 -0.03 0.00 1.12 0.00 0.00 29.99 29.33 1fa4 n HIS 92 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1fa4 s ARG 93 N 2.19 3.63 0.00 -0.41 6.06 -1.13 -3.14 118.95 126.16 1fa4 s ARG 93 Ca 0.54 0.38 0.00 0.00 -2.50 0.00 0.00 55.73 54.14 1fa4 s ARG 93 Cb 0.19 -3.92 0.00 0.00 0.06 0.00 0.00 34.95 31.28 1fa4 s ARG 93 CO -0.03 -1.33 0.00 0.41 -2.50 0.00 0.00 175.30 171.85 1fa4 n GLY 94 N 4.90 0.77 2.23 8.12 0.00 -1.26 -4.97 105.19 114.98 1fa4 n GLY 94 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1fa4 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fa4 n ALA 95 N -0.93 5.90 -1.29 4.61 0.00 -1.19 -4.82 120.51 122.79 1fa4 n ALA 95 Ca 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 53.44 50.12 1fa4 n ALA 95 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1fa4 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa4 n GLY 96 N -1.03 1.15 1.93 0.00 0.00 -1.26 -4.17 105.19 101.81 1fa4 n GLY 96 Ca 0.60 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1fa4 n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fa4 n MET 97 N -2.65 1.94 -3.94 1.61 2.00 -1.26 -2.66 117.12 112.17 1fa4 n MET 97 Ca -0.10 -1.93 -0.30 0.00 0.00 0.00 0.00 57.70 55.36 1fa4 n MET 97 Cb 0.34 -1.76 -0.16 0.00 0.00 0.00 0.00 33.22 31.64 1fa4 n MET 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fa4 s VAL 98 N -2.65 1.54 0.45 2.03 1.01 -1.26 -2.84 120.40 118.67 1fa4 s VAL 98 Ca 0.38 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1fa4 s VAL 98 Cb 0.30 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1fa4 s VAL 98 CO 0.01 -0.09 0.06 -0.83 0.00 0.00 0.00 175.10 174.26 1fa4 s GLY 99 N 1.39 2.64 -0.13 4.51 0.00 -0.85 -4.87 107.32 110.02 1fa4 s GLY 99 Ca -0.06 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.02 1fa4 s GLY 99 CO -0.06 -2.09 0.30 0.54 0.00 0.00 0.00 173.10 171.79 1fa4 s LYS 100 N -3.83 0.26 -0.05 2.90 1.02 -1.19 -0.73 119.74 118.11 1fa4 s LYS 100 Ca 0.26 0.62 -0.26 0.00 0.02 0.00 0.00 55.97 56.61 1fa4 s LYS 100 Cb 0.05 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.25 1fa4 s LYS 100 CO 0.14 -0.16 0.84 0.42 -0.92 0.00 0.00 175.35 175.66 1fa4 s ILE 101 N 1.33 4.95 -0.69 2.17 1.01 -0.38 -2.26 121.20 127.34 1fa4 s ILE 101 Ca -0.09 1.73 -0.15 0.00 0.00 0.00 0.00 60.65 62.14 1fa4 s ILE 101 Cb -0.10 -4.17 0.17 0.00 0.01 0.00 0.00 42.46 38.37 1fa4 s ILE 101 CO -0.10 0.18 0.64 -0.89 0.00 0.00 0.00 174.94 174.77 1fa4 s THR 102 N 1.10 5.38 -0.57 2.92 2.01 0.39 -3.43 115.64 123.44 1fa4 s THR 102 Ca 0.44 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.32 1fa4 s THR 102 Cb -0.19 -4.41 0.13 0.00 0.01 0.00 0.00 72.50 68.04 1fa4 s THR 102 CO 0.21 -0.96 0.57 -0.69 -0.69 0.00 0.00 174.62 173.06 1fa4 s VAL 103 N 0.96 5.12 0.13 3.82 1.01 -1.25 -0.94 120.40 129.26 1fa4 s VAL 103 Ca 0.11 -1.42 -0.33 0.00 0.00 0.00 0.00 61.98 60.34 1fa4 s VAL 103 Cb -0.20 -4.39 -0.13 0.00 0.00 0.00 0.00 36.38 31.66 1fa4 s VAL 103 CO -0.03 -0.95 1.71 0.00 0.00 0.00 0.00 175.10 175.82 1fa4 n ALA 104 N 5.49 1.78 0.00 5.51 0.00 -1.24 0.26 120.51 132.31 1fa4 n ALA 104 Ca -0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1fa4 n ALA 104 Cb 0.41 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91