#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 3.56 0.24 3.84 -1.32 -1.26 -4.67 115.64 116.03 1fa4 s THR 2 Ca 0.00 -1.70 -0.04 0.00 -1.21 0.00 0.00 61.69 58.74 1fa4 s THR 2 Cb 0.00 -2.86 -0.05 0.00 -1.51 0.00 0.00 72.50 68.08 1fa4 s THR 2 CO 0.00 -0.26 0.48 -0.31 -2.21 0.00 0.00 174.62 172.32 1fa4 s TYR 3 N -2.05 3.47 -0.05 9.09 1.51 -0.48 -4.89 117.35 123.95 1fa4 s TYR 3 Ca 0.29 0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 56.88 1fa4 s TYR 3 Cb -0.08 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1fa4 s TYR 3 CO 0.19 0.27 0.11 0.99 -1.11 0.00 0.00 175.55 176.00 1fa4 s THR 4 N -1.95 -0.02 -0.36 -0.71 2.01 -1.26 0.46 115.64 113.80 1fa4 s THR 4 Ca 0.42 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1fa4 s THR 4 Cb -0.11 -0.18 0.10 0.00 0.01 0.00 0.00 72.50 72.33 1fa4 s THR 4 CO 0.28 0.03 0.10 0.68 -0.69 0.00 0.00 174.62 175.03 1fa4 s VAL 5 N 0.51 2.66 -1.15 3.82 -7.23 -1.16 -4.77 120.40 113.07 1fa4 s VAL 5 Ca -0.04 -2.22 -0.23 0.00 -1.81 0.00 0.00 61.98 57.69 1fa4 s VAL 5 Cb -0.05 -2.89 -0.10 0.00 0.56 0.00 0.00 36.38 33.90 1fa4 s VAL 5 CO -0.02 -0.62 1.94 1.17 -0.31 0.00 0.00 175.10 177.26 1fa4 n LYS 6 N 4.39 1.54 -1.63 4.82 4.81 -1.23 -4.20 118.16 126.65 1fa4 n LYS 6 Ca 0.01 -2.40 -0.45 0.00 -0.87 0.00 0.00 58.31 54.60 1fa4 n LYS 6 Cb 0.42 -3.67 -0.02 0.00 0.02 0.00 0.00 35.03 31.77 1fa4 n LYS 6 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1fa4 n LEU 7 N 14.03 2.50 0.00 3.14 -0.00 -1.26 -4.23 117.00 131.18 1fa4 n LEU 7 Ca 0.45 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.62 1fa4 n LEU 7 Cb 0.46 -1.35 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 1fa4 n LEU 7 CO 0.71 -0.88 0.00 0.61 -0.00 0.00 0.00 177.39 177.82 1fa4 n GLY 8 N 1.72 1.23 0.00 1.47 0.00 -1.15 -3.86 105.19 104.60 1fa4 n GLY 8 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.89 -4.82 113.62 112.92 1fa4 n SER 9 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 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 -0.90 -0.16 0.00 0.00 175.04 173.98 1fa4 n ASP 10 N -0.38 0.00 0.00 4.04 5.68 -1.26 -4.92 116.55 119.71 1fa4 n ASP 10 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1fa4 n ASP 10 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1fa4 n LYS 11 N 0.00 3.47 0.00 0.11 5.02 -1.26 -4.96 118.16 120.55 1fa4 n LYS 11 Ca 0.00 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1fa4 n LYS 11 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fa4 n GLY 12 N 0.56 0.04 0.00 0.72 0.00 -1.26 -5.15 105.19 100.10 1fa4 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fa4 n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fa4 n LEU 13 N 0.00 0.00 -4.60 0.99 0.00 -1.26 -5.01 117.00 107.12 1fa4 n LEU 13 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.63 1fa4 n LEU 13 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.31 1fa4 n LEU 13 CO 0.00 0.00 -0.16 -0.76 0.00 0.00 0.00 177.39 176.47 1fa4 s LEU 14 N 0.00 4.03 -0.29 -1.96 1.43 -1.26 -2.10 118.68 118.53 1fa4 s LEU 14 Ca 0.00 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 1fa4 s LEU 14 Cb 0.00 -2.13 0.10 0.00 0.03 0.00 0.00 46.19 44.19 1fa4 s LEU 14 CO 0.00 -0.04 0.69 0.68 0.23 0.00 0.00 176.35 177.91 1fa4 s VAL 15 N 1.69 -0.32 1.02 -1.59 -7.23 -1.26 -4.27 120.40 108.44 1fa4 s VAL 15 Ca 0.07 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.04 1fa4 s VAL 15 Cb -0.16 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 1fa4 s VAL 15 CO 0.10 0.00 -0.73 0.49 -0.31 0.00 0.00 175.10 174.65 1fa4 n PHE 16 N 4.66 -2.39 -3.40 2.82 3.01 -1.26 -2.96 117.46 117.94 1fa4 n PHE 16 Ca -0.17 0.30 -0.15 0.00 1.01 0.00 0.00 57.45 58.44 1fa4 n PHE 16 Cb 0.56 -1.49 -0.10 0.00 -0.01 0.00 0.00 39.48 38.44 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 -2.56 0.31 0.64 -1.08 2.02 -1.26 -3.85 118.70 112.92 1fa4 s GLU 17 Ca 0.44 0.12 -0.11 0.00 0.02 0.00 0.00 54.97 55.45 1fa4 s GLU 17 Cb -0.06 -0.71 0.15 0.00 0.10 0.00 0.00 34.13 33.61 1fa4 s GLU 17 CO 0.71 -0.86 0.79 -0.35 0.02 0.00 0.00 175.26 175.57 1fa4 n PRO 18 N 5.33 -1.16 -0.03 0.39 -0.04 -1.26 -3.53 135.00 134.69 1fa4 n PRO 18 Ca -0.03 -1.22 -0.14 0.00 -0.04 0.00 0.00 63.50 62.07 1fa4 n PRO 18 Cb 0.48 -0.88 -0.09 0.00 -0.04 0.00 0.00 33.50 32.97 1fa4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 h ALA 19 N -2.01 0.10 -1.14 0.55 0.00 -1.92 -3.46 119.26 111.38 1fa4 h ALA 19 Ca -0.26 -0.36 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 1fa4 h ALA 19 Cb 0.74 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.58 1fa4 h ALA 19 CO 0.18 0.02 0.03 -1.59 0.00 0.00 0.00 179.25 177.89 1fa4 s LYS 20 N -3.83 1.90 -0.15 0.00 -2.85 -1.26 -3.59 119.74 109.95 1fa4 s LYS 20 Ca -0.15 -1.31 -0.17 0.00 -1.00 0.00 0.00 55.97 53.34 1fa4 s LYS 20 Cb 0.03 -2.45 0.04 0.00 -2.06 0.00 0.00 37.83 33.40 1fa4 s LYS 20 CO 0.73 -1.24 0.46 -1.17 0.10 0.00 0.00 175.35 174.24 1fa4 s LEU 21 N -4.97 0.23 -0.22 2.77 2.96 -0.21 -4.80 118.68 114.45 1fa4 s LEU 21 Ca 0.65 0.83 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1fa4 s LEU 21 Cb -0.05 1.62 0.04 0.00 0.50 0.00 0.00 46.19 48.30 1fa4 s LEU 21 CO 0.42 -0.22 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.19 1fa4 s THR 22 N -0.02 2.09 0.28 3.68 2.01 -1.26 0.25 115.64 122.67 1fa4 s THR 22 Ca -0.02 -1.25 0.03 0.00 0.31 0.00 0.00 61.69 60.76 1fa4 s THR 22 Cb -0.03 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 1fa4 s THR 22 CO 0.02 0.27 0.12 2.30 -0.69 0.00 0.00 174.62 176.64 1fa4 n ILE 23 N 4.54 0.00 -3.43 1.82 -6.64 -0.53 -4.87 119.36 110.25 1fa4 n ILE 23 Ca -0.18 -1.69 -0.22 0.00 -1.77 0.00 0.00 62.75 58.89 1fa4 n ILE 23 Cb 0.46 0.65 0.02 0.00 -1.44 0.00 0.00 39.64 39.34 1fa4 n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1fa4 s LYS 24 N -3.07 2.33 -1.26 6.28 3.01 -1.26 -3.89 119.74 121.88 1fa4 s LYS 24 Ca 0.17 -1.77 -0.18 0.00 -1.01 0.00 0.00 55.97 53.18 1fa4 s LYS 24 Cb 0.01 -2.40 0.01 0.00 -1.01 0.00 0.00 37.83 34.44 1fa4 s LYS 24 CO 0.12 -0.67 1.91 -0.35 0.51 0.00 0.00 175.35 176.86 1fa4 n PRO 25 N -1.97 2.66 0.00 -1.68 -0.04 -1.26 -2.96 135.00 129.75 1fa4 n PRO 25 Ca 0.07 -2.83 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1fa4 n PRO 25 Cb 0.63 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 1fa4 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fa4 n GLY 26 N 5.08 0.97 1.88 0.55 0.00 -1.06 -4.42 105.19 108.20 1fa4 n GLY 26 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.66 -4.29 1.61 9.92 -1.16 -4.24 116.55 115.73 1fa4 n ASP 27 Ca 0.00 -0.36 -0.26 0.00 -0.53 0.00 0.00 54.79 53.63 1fa4 n ASP 27 Cb 0.00 -0.52 -0.14 0.00 -0.64 0.00 0.00 41.12 39.83 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 -1.53 1.83 -0.05 -3.53 2.01 -1.26 -2.06 115.64 111.05 1fa4 s THR 28 Ca 0.28 -1.38 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 1fa4 s THR 28 Cb -0.05 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1fa4 s THR 28 CO 0.23 0.16 0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 1fa4 s VAL 29 N -0.92 0.18 -0.19 3.82 1.01 -1.14 -1.39 120.40 121.78 1fa4 s VAL 29 Ca 0.09 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1fa4 s VAL 29 Cb -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1fa4 s VAL 29 CO 0.03 0.19 0.11 -0.70 0.00 0.00 0.00 175.10 174.73 1fa4 s GLU 30 N 1.61 4.07 0.13 2.72 2.56 0.17 -2.16 118.70 127.80 1fa4 s GLU 30 Ca -0.01 -0.25 0.08 0.00 0.00 0.00 0.00 54.97 54.79 1fa4 s GLU 30 Cb -0.13 -3.34 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 1fa4 s GLU 30 CO -0.03 0.33 -0.10 -0.06 -0.56 0.00 0.00 175.26 174.84 1fa4 s PHE 31 N 0.24 2.69 0.26 5.30 0.08 -1.24 -2.99 117.98 122.33 1fa4 s PHE 31 Ca 0.07 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.98 1fa4 s PHE 31 Cb -0.11 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1fa4 s PHE 31 CO -0.01 0.45 0.26 1.47 -0.10 0.00 0.00 175.22 177.29 1fa4 n LEU 32 N 0.51 0.00 -4.50 -0.37 -0.00 -1.26 0.54 117.00 111.91 1fa4 n LEU 32 Ca -0.13 -2.42 -0.28 0.00 -0.00 0.00 0.00 56.01 53.19 1fa4 n LEU 32 Cb 0.53 1.48 -0.11 0.00 -0.00 0.00 0.00 43.42 45.32 1fa4 n LEU 32 CO 0.33 -0.44 -0.47 0.54 -0.00 0.00 0.00 177.39 177.36 1fa4 s ASN 33 N -2.79 3.91 0.00 1.45 4.22 -1.26 -4.36 114.94 116.11 1fa4 s ASN 33 Ca 0.29 -0.65 0.00 0.00 -2.14 0.00 0.00 52.86 50.36 1fa4 s ASN 33 Cb 0.01 -0.53 0.00 0.00 1.28 0.00 0.00 41.25 42.00 1fa4 s ASN 33 CO 0.21 0.13 0.00 -3.20 -2.04 0.00 0.00 177.10 172.20 1fa4 n ASN 34 N 0.34 0.00 -1.91 3.54 5.15 -1.25 -2.69 115.26 118.43 1fa4 n ASN 34 Ca -0.13 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.78 1fa4 n ASN 34 Cb 0.55 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.86 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 2.12 -2.89 1.20 4.81 -1.26 -4.62 118.16 117.52 1fa4 n LYS 35 Ca 0.00 -3.48 -0.12 0.00 -0.87 0.00 0.00 58.31 53.84 1fa4 n LYS 35 Cb 0.00 -1.61 0.04 0.00 0.02 0.00 0.00 35.03 33.48 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 -0.57 -0.10 -1.94 3.15 0.31 -1.26 -5.14 118.33 112.79 1fa4 n VAL 36 Ca 0.23 -2.54 -0.29 0.00 -0.01 0.00 0.00 64.34 61.72 1fa4 n VAL 36 Cb 0.89 0.77 0.16 0.00 -0.91 0.00 0.00 33.84 34.75 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 -0.53 1.01 0.50 5.55 0.04 -1.26 -4.73 135.00 135.58 1fa4 s PRO 37 Ca 0.29 -0.29 -0.07 0.00 0.04 0.00 0.00 61.00 60.98 1fa4 s PRO 37 Cb 0.29 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 1fa4 s PRO 37 CO -0.09 -2.18 0.83 -1.25 0.04 0.00 0.00 177.00 174.35 1fa4 s PRO 38 N -5.79 3.58 -0.01 0.56 0.04 -1.26 -5.10 135.00 127.01 1fa4 s PRO 38 Ca 0.71 0.33 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1fa4 s PRO 38 Cb -0.06 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1fa4 s PRO 38 CO 0.52 -0.26 -0.19 -1.01 0.04 0.00 0.00 177.00 176.10 1fa4 s HIS 39 N -2.79 2.55 -0.14 0.56 3.76 -1.26 -4.71 115.29 113.27 1fa4 s HIS 39 Ca 0.49 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 1fa4 s HIS 39 Cb -0.10 -1.54 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 1fa4 s HIS 39 CO 0.45 0.15 -0.18 1.21 -0.85 0.00 0.00 174.74 175.52 1fa4 s ASN 40 N -0.92 3.48 -0.15 1.40 3.04 -1.26 -3.35 114.94 117.18 1fa4 s ASN 40 Ca 0.12 -0.50 0.00 0.00 0.04 0.00 0.00 52.86 52.53 1fa4 s ASN 40 Cb -0.10 -1.52 -0.00 0.00 -1.54 0.00 0.00 41.25 38.09 1fa4 s ASN 40 CO 0.02 0.11 -0.16 -0.69 -3.04 0.00 0.00 177.10 173.34 1fa4 s VAL 41 N 0.67 2.66 0.23 -5.21 1.01 -1.26 -3.74 120.40 114.77 1fa4 s VAL 41 Ca -0.09 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1fa4 s VAL 41 Cb -0.16 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1fa4 s VAL 41 CO 0.02 0.52 0.68 0.68 0.00 0.00 0.00 175.10 177.00 1fa4 s VAL 42 N 0.73 0.00 -0.29 2.92 -7.23 -1.26 -3.73 120.40 111.54 1fa4 s VAL 42 Ca -0.07 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1fa4 s VAL 42 Cb -0.16 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.20 1fa4 s VAL 42 CO 0.01 0.00 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.40 1fa4 s PHE 43 N -3.85 3.28 0.44 2.82 0.40 -1.26 -3.18 117.98 116.63 1fa4 s PHE 43 Ca 0.07 -2.07 -0.24 0.00 -0.60 0.00 0.00 56.93 54.10 1fa4 s PHE 43 Cb -0.04 -2.07 -0.10 0.00 0.51 0.00 0.00 43.02 41.32 1fa4 s PHE 43 CO -0.00 -0.84 1.00 -3.47 0.70 0.00 0.00 175.22 172.61 1fa4 n ASP 44 N 4.54 1.21 -0.99 1.36 2.03 -1.17 -4.84 116.55 118.69 1fa4 n ASP 44 Ca -0.13 1.01 0.03 0.00 0.52 0.00 0.00 54.79 56.22 1fa4 n ASP 44 Cb 0.43 -1.36 0.15 0.00 -0.72 0.00 0.00 41.12 39.62 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 -0.63 2.99 0.00 -1.67 0.00 -1.26 -3.76 120.51 116.17 1fa4 n ALA 45 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1fa4 n ALA 45 Cb 0.40 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.25 1.94 -2.44 0.00 0.00 -1.26 -4.33 120.51 114.66 1fa4 n ALA 46 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1fa4 n ALA 46 Cb 0.58 0.24 0.01 0.00 0.00 0.00 0.00 19.45 20.29 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 -1.92 7.50 -4.07 0.00 4.32 -1.25 -4.91 117.00 116.67 1fa4 n LEU 47 Ca 0.00 -5.18 -0.08 0.00 -0.02 0.00 0.00 56.01 50.72 1fa4 n LEU 47 Cb 0.47 -1.25 -0.09 0.00 -1.62 0.00 0.00 43.42 40.92 1fa4 n LEU 47 CO 0.00 2.00 -0.27 0.54 -1.22 0.00 0.00 177.39 178.44 1fa4 s ASN 48 N -0.72 0.33 0.32 -1.43 2.20 -1.26 -3.76 114.94 110.63 1fa4 s ASN 48 Ca 0.43 -1.02 0.26 0.00 -0.94 0.00 0.00 52.86 51.59 1fa4 s ASN 48 Cb 0.17 0.28 0.86 0.00 -2.00 0.00 0.00 41.25 40.56 1fa4 s ASN 48 CO -0.10 -0.69 1.76 1.55 -2.94 0.00 0.00 177.10 176.68 1fa4 h PRO 49 N 2.94 0.00 -2.07 3.55 0.13 -1.88 -3.33 132.00 131.34 1fa4 h PRO 49 Ca -0.34 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.22 1fa4 h PRO 49 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 1fa4 h PRO 49 CO 0.60 0.00 -0.95 0.00 -0.23 0.00 0.00 178.00 177.42 1fa4 n ALA 50 N -1.89 2.95 -1.50 -0.56 0.00 -1.26 -5.05 120.51 113.20 1fa4 n ALA 50 Ca 0.03 -3.84 -0.27 0.00 0.00 0.00 0.00 53.44 49.36 1fa4 n ALA 50 Cb 0.37 -0.84 -0.20 0.00 0.00 0.00 0.00 19.45 18.78 1fa4 n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1fa4 n LYS 51 N 1.06 0.01 0.00 0.00 0.00 -1.25 -4.74 118.16 113.24 1fa4 n LYS 51 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1fa4 n LYS 51 Cb 0.50 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 34.34 1fa4 n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1fa4 n SER 52 N 7.17 0.00 -2.79 -5.58 7.64 -1.26 -5.07 113.62 113.74 1fa4 n SER 52 Ca 0.67 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.45 1fa4 n SER 52 Cb 0.11 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.39 1fa4 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fa4 n ALA 53 N -3.00 0.37 0.13 -0.43 0.00 -1.26 -4.79 120.51 111.53 1fa4 n ALA 53 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1fa4 n ALA 53 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1fa4 n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fa4 n ASP 54 N 0.09 -0.10 0.05 0.00 2.03 -1.26 -4.69 116.55 112.66 1fa4 n ASP 54 Ca 0.07 0.44 0.20 0.00 0.52 0.00 0.00 54.79 56.02 1fa4 n ASP 54 Cb 0.74 0.34 0.73 0.00 -0.72 0.00 0.00 41.12 42.21 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 -0.26 -2.67 8.10 -1.98 0.13 115.31 118.63 1fa4 h LEU 55 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 1fa4 h LEU 55 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1fa4 h LEU 55 CO 0.00 0.00 -0.67 0.00 -4.11 0.00 0.00 178.44 173.66 1fa4 h ALA 56 N 1.66 0.42 -0.88 0.17 0.00 -1.94 -3.00 119.26 115.70 1fa4 h ALA 56 Ca 0.22 -0.56 0.23 0.00 0.00 0.00 0.00 54.91 54.80 1fa4 h ALA 56 Cb 1.00 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 1fa4 h ALA 56 CO -0.00 0.69 0.13 -0.22 0.00 0.00 0.00 179.25 179.84 1fa4 h LYS 57 N 0.57 0.12 -0.83 0.00 3.64 -1.00 1.50 116.57 120.57 1fa4 h LYS 57 Ca -0.02 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1fa4 h LYS 57 Cb 1.28 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.92 1fa4 h LYS 57 CO 0.14 0.08 0.32 0.43 -2.27 0.00 0.00 179.45 178.15 1fa4 n SER 58 N -5.33 4.42 0.04 4.20 7.64 -1.19 -4.41 113.62 119.00 1fa4 n SER 58 Ca 0.20 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1fa4 n SER 58 Cb 0.66 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.28 0.32 -4.80 -3.43 7.94 0.48 -4.84 117.00 112.40 1fa4 n LEU 59 Ca 0.41 0.13 -0.35 0.00 -1.11 0.00 0.00 56.01 55.09 1fa4 n LEU 59 Cb 1.36 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 45.22 1fa4 n LEU 59 CO 0.43 -0.47 0.67 -0.94 -1.11 0.00 0.00 177.39 175.98 1fa4 s SER 60 N -5.32 6.98 0.45 1.96 1.04 0.68 -4.86 113.70 114.63 1fa4 s SER 60 Ca 0.00 1.84 0.04 0.00 0.48 0.00 0.00 55.95 58.30 1fa4 s SER 60 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1fa4 s SER 60 CO 0.00 -0.33 0.03 -1.38 0.98 0.00 0.00 173.24 172.54 1fa4 s HIS 61 N -1.86 2.07 0.00 5.02 -3.43 -1.24 -4.86 115.29 110.98 1fa4 s HIS 61 Ca 0.58 -0.91 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 1fa4 s HIS 61 Cb -0.16 -1.57 0.00 0.00 -1.43 0.00 0.00 32.58 29.42 1fa4 s HIS 61 CO 0.20 0.21 0.00 1.63 -2.00 0.00 0.00 174.74 174.78 1fa4 n LYS 62 N -1.06 2.96 -1.30 -0.38 5.02 -1.26 -4.80 118.16 117.33 1fa4 n LYS 62 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1fa4 n LYS 62 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1fa4 n GLN 63 N 0.00 -3.69 -1.10 1.97 -0.06 -1.26 -4.89 117.38 108.36 1fa4 n GLN 63 Ca 0.00 2.71 -0.32 0.00 -2.00 0.00 0.00 57.00 57.39 1fa4 n GLN 63 Cb 0.00 -3.02 0.12 0.00 -4.06 0.00 0.00 30.24 23.28 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1fa4 s LEU 64 N -2.50 3.03 -1.09 1.69 1.43 -1.26 -4.87 118.68 115.11 1fa4 s LEU 64 Ca 0.00 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 54.96 1fa4 s LEU 64 Cb 0.00 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.71 1fa4 s LEU 64 CO 0.00 -2.48 1.56 -0.76 0.23 0.00 0.00 176.35 174.90 1fa4 s LEU 65 N -5.99 3.56 0.00 1.79 1.02 -1.21 -4.74 118.68 113.10 1fa4 s LEU 65 Ca 0.66 -1.67 0.18 0.00 0.02 0.00 0.00 54.13 53.32 1fa4 s LEU 65 Cb -0.22 -2.57 0.93 0.00 0.02 0.00 0.00 46.19 44.35 1fa4 s LEU 65 CO 0.54 -1.51 1.62 0.23 0.02 0.00 0.00 176.35 177.25 1fa4 n MET 66 N 8.75 1.25 -3.61 1.70 2.81 -1.26 -4.59 117.12 122.17 1fa4 n MET 66 Ca 0.38 -0.38 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 1fa4 n MET 66 Cb 0.49 -1.31 -0.11 0.00 -0.71 0.00 0.00 33.22 31.58 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 -1.54 5.72 -0.86 7.83 0.15 -1.26 -5.03 113.70 118.72 1fa4 s SER 67 Ca 0.28 -0.47 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 1fa4 s SER 67 Cb 0.14 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1fa4 s SER 67 CO 0.22 -0.20 1.44 -2.16 1.20 0.00 0.00 173.24 173.74 1fa4 s PRO 68 N 1.65 3.27 0.00 5.44 0.04 -1.26 -3.17 135.00 140.97 1fa4 s PRO 68 Ca 0.05 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1fa4 s PRO 68 Cb -0.17 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.63 1fa4 s PRO 68 CO 0.08 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1fa4 n GLY 69 N 6.12 1.58 3.25 0.56 0.00 -1.10 -4.96 105.19 110.65 1fa4 n GLY 69 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1fa4 n GLY 69 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fa4 s GLN 70 N 0.00 0.68 0.00 1.61 -2.07 -1.19 -4.32 119.66 114.37 1fa4 s GLN 70 Ca 0.00 -0.15 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 1fa4 s GLN 70 Cb 0.00 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 1fa4 s GLN 70 CO 0.00 -0.19 0.00 -1.13 -1.32 0.00 0.00 175.29 172.65 1fa4 n SER 71 N 1.31 0.00 -3.60 12.60 3.41 0.19 -4.23 113.62 123.30 1fa4 n SER 71 Ca -0.21 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1fa4 n SER 71 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1fa4 n SER 71 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fa4 s THR 72 N -0.15 -0.99 -0.74 6.66 2.01 -1.12 -4.99 115.64 116.30 1fa4 s THR 72 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1fa4 s THR 72 Cb 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1fa4 s THR 72 CO 0.00 0.00 1.31 -0.55 -0.69 0.00 0.00 174.62 174.69 1fa4 s SER 73 N 2.89 6.13 -0.51 3.53 0.15 -1.26 -3.62 113.70 121.00 1fa4 s SER 73 Ca -0.03 -0.44 -0.27 0.00 0.70 0.00 0.00 55.95 55.91 1fa4 s SER 73 Cb -0.12 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1fa4 s SER 73 CO -0.19 -1.86 1.06 -0.89 1.20 0.00 0.00 173.24 172.56 1fa4 s THR 74 N 5.88 4.27 -1.13 6.45 2.01 -0.92 -4.90 115.64 127.29 1fa4 s THR 74 Ca 0.37 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 63.01 1fa4 s THR 74 Cb -0.08 -4.58 0.05 0.00 0.01 0.00 0.00 72.50 67.91 1fa4 s THR 74 CO 0.15 -1.06 1.60 0.42 -0.69 0.00 0.00 174.62 175.03 1fa4 s THR 75 N 4.29 3.97 0.14 -0.82 -4.23 -1.26 -2.88 115.64 114.86 1fa4 s THR 75 Ca 0.41 -1.21 -0.32 0.00 -1.18 0.00 0.00 61.69 59.39 1fa4 s THR 75 Cb -0.09 -5.06 -0.18 0.00 1.34 0.00 0.00 72.50 68.51 1fa4 s THR 75 CO 0.27 -1.91 0.70 0.49 -0.54 0.00 0.00 174.62 173.63 1fa4 n PHE 76 N 9.03 -0.08 -1.74 3.99 3.01 -0.87 -4.91 117.46 125.88 1fa4 n PHE 76 Ca 0.40 0.98 -0.29 0.00 1.01 0.00 0.00 57.45 59.55 1fa4 n PHE 76 Cb 0.49 -2.01 0.16 0.00 -0.01 0.00 0.00 39.48 38.11 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 -0.71 0.82 0.00 -1.08 0.04 -1.26 -4.20 135.00 128.61 1fa4 s PRO 77 Ca 0.72 -0.11 0.17 0.00 0.04 0.00 0.00 61.00 61.82 1fa4 s PRO 77 Cb -1.02 -1.84 0.99 0.00 0.04 0.00 0.00 34.50 32.67 1fa4 s PRO 77 CO 0.56 -2.34 1.54 0.00 0.04 0.00 0.00 177.00 176.80 1fa4 n ALA 78 N -3.78 2.46 0.92 8.56 0.00 -1.26 -2.40 120.51 125.01 1fa4 n ALA 78 Ca 0.12 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1fa4 n ALA 78 Cb 0.60 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1fa4 n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fa4 n ASP 79 N -0.80 0.85 -4.28 0.00 9.92 -1.26 -4.84 116.55 116.14 1fa4 n ASP 79 Ca 0.12 -0.79 -0.61 0.00 -0.53 0.00 0.00 54.79 52.99 1fa4 n ASP 79 Cb 0.06 0.93 -0.12 0.00 -0.64 0.00 0.00 41.12 41.34 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fa4 n ALA 80 N -1.56 0.08 -2.40 2.24 0.00 -1.01 -4.82 120.51 113.05 1fa4 n ALA 80 Ca 0.04 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1fa4 n ALA 80 Cb 0.35 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 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 5.72 4.48 0.98 0.00 0.04 -1.26 -4.64 135.00 140.31 1fa4 s PRO 81 Ca 1.18 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.82 1fa4 s PRO 81 Cb -1.50 -3.35 0.12 0.00 0.04 0.00 0.00 34.50 29.81 1fa4 s PRO 81 CO 0.67 -0.17 0.75 0.00 0.04 0.00 0.00 177.00 178.29 1fa4 n ALA 82 N 3.66 -2.06 0.00 8.56 0.00 -1.26 -4.64 120.51 124.77 1fa4 n ALA 82 Ca 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1fa4 n ALA 82 Cb 0.47 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 0.99 0.51 3.64 0.00 0.00 -0.32 -4.84 105.19 105.17 1fa4 n GLY 83 Ca 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 1fa4 n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fa4 s GLU 84 N 0.00 0.60 0.00 1.61 -1.05 -1.26 -2.98 118.70 115.62 1fa4 s GLU 84 Ca 0.00 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.19 1fa4 s GLU 84 Cb 0.00 0.68 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 1fa4 s GLU 84 CO 0.00 -0.18 0.00 0.66 0.95 0.00 0.00 175.26 176.69 1fa4 n TYR 85 N 5.14 -2.01 -3.15 4.83 4.01 0.61 -4.39 117.16 122.20 1fa4 n TYR 85 Ca -0.14 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.65 1fa4 n TYR 85 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1fa4 n TYR 85 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1fa4 s THR 86 N 0.04 -0.74 0.35 -0.72 2.01 -1.25 -3.99 115.64 111.35 1fa4 s THR 86 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1fa4 s THR 86 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1fa4 s THR 86 CO 0.00 0.00 0.28 0.72 -0.69 0.00 0.00 174.62 174.93 1fa4 s PHE 87 N 2.88 2.84 0.06 4.92 -0.71 -0.75 -3.05 117.98 124.16 1fa4 s PHE 87 Ca 0.16 -0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 55.68 1fa4 s PHE 87 Cb -0.08 -1.84 0.01 0.00 -1.21 0.00 0.00 43.02 39.90 1fa4 s PHE 87 CO -0.24 0.16 0.10 2.48 -1.34 0.00 0.00 175.22 176.38 1fa4 n TYR 88 N -1.37 -1.04 -4.94 3.49 4.11 -1.19 -2.64 117.16 113.58 1fa4 n TYR 88 Ca -0.01 -0.29 -0.30 0.00 -0.00 0.00 0.00 57.90 57.30 1fa4 n TYR 88 Cb 0.60 0.12 -0.15 0.00 -0.00 0.00 0.00 39.34 39.92 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1fa4 h GLU 90 N 4.87 0.31 0.01 0.00 4.81 -1.94 -3.34 114.58 119.31 1fa4 h GLU 90 Ca -0.46 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.36 1fa4 h GLU 90 Cb 1.14 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1fa4 h GLU 90 CO 0.44 1.12 -0.01 -1.00 -0.73 0.00 0.00 179.01 178.84 1fa4 h PRO 91 N -0.31 -0.02 -3.66 0.92 0.13 -1.93 -3.37 132.00 123.77 1fa4 h PRO 91 Ca -0.09 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.52 1fa4 h PRO 91 Cb 1.37 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.53 1fa4 h PRO 91 CO 0.12 -0.01 2.80 0.72 -0.23 0.00 0.00 178.00 181.40 1fa4 n HIS 92 N -3.37 1.86 0.01 1.56 8.25 -1.26 -4.33 115.22 117.94 1fa4 n HIS 92 Ca -0.00 -2.21 -0.02 0.00 -0.26 0.00 0.00 57.72 55.22 1fa4 n HIS 92 Cb 0.01 -1.90 -0.10 0.00 1.12 0.00 0.00 29.99 29.12 1fa4 n HIS 92 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1fa4 n ARG 93 N 4.92 0.62 -1.05 -0.41 3.00 -1.25 -3.95 116.66 118.54 1fa4 n ARG 93 Ca 0.52 0.24 -0.23 0.00 -0.00 0.00 0.00 57.85 58.38 1fa4 n ARG 93 Cb 0.23 -1.80 0.10 0.00 0.00 0.00 0.00 32.46 30.99 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fa4 n GLY 94 N 1.44 4.57 1.91 5.14 0.00 -1.26 -4.19 105.19 112.80 1fa4 n GLY 94 Ca -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.54 2.84 -1.91 4.61 0.00 -1.25 -4.95 120.51 119.31 1fa4 n ALA 95 Ca 0.47 -2.74 -0.09 0.00 0.00 0.00 0.00 53.44 51.08 1fa4 n ALA 95 Cb 0.97 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.19 0.11 2.18 0.00 0.00 -1.26 -4.19 105.19 101.84 1fa4 n GLY 96 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.20 2.55 -3.91 1.61 2.00 -1.26 -4.49 117.12 111.43 1fa4 n MET 97 Ca -0.10 -1.43 -0.30 0.00 0.00 0.00 0.00 57.70 55.86 1fa4 n MET 97 Cb 0.45 -2.31 -0.15 0.00 0.00 0.00 0.00 33.22 31.21 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 1.69 1.57 0.50 2.03 1.01 -1.26 -3.27 120.40 122.67 1fa4 s VAL 98 Ca 0.63 -1.61 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1fa4 s VAL 98 Cb 0.24 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1fa4 s VAL 98 CO -0.02 -0.41 0.56 -0.83 0.00 0.00 0.00 175.10 174.39 1fa4 s GLY 99 N 1.31 2.02 -0.16 4.51 0.00 -1.08 -4.86 107.32 109.06 1fa4 s GLY 99 Ca 0.04 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 42.87 1fa4 s GLY 99 CO -0.12 -1.71 0.38 0.54 0.00 0.00 0.00 173.10 172.19 1fa4 s LYS 100 N -4.38 0.37 -0.10 2.90 1.02 -1.24 -1.80 119.74 116.50 1fa4 s LYS 100 Ca 0.51 0.71 -0.26 0.00 0.02 0.00 0.00 55.97 56.94 1fa4 s LYS 100 Cb -0.05 -0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1fa4 s LYS 100 CO 0.31 -0.14 0.86 0.42 -0.92 0.00 0.00 175.35 175.88 1fa4 s ILE 101 N 1.21 4.90 -0.47 2.17 1.01 -1.26 -1.04 121.20 127.72 1fa4 s ILE 101 Ca -0.08 1.74 -0.12 0.00 0.00 0.00 0.00 60.65 62.19 1fa4 s ILE 101 Cb -0.08 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.31 1fa4 s ILE 101 CO -0.10 0.10 0.36 -0.89 0.00 0.00 0.00 174.94 174.41 1fa4 s THR 102 N 1.61 4.59 -0.75 2.92 2.01 0.70 -0.28 115.64 126.44 1fa4 s THR 102 Ca 0.42 -1.50 -0.15 0.00 0.31 0.00 0.00 61.69 60.78 1fa4 s THR 102 Cb -0.18 -3.90 0.19 0.00 0.01 0.00 0.00 72.50 68.63 1fa4 s THR 102 CO 0.18 -0.69 0.70 -0.69 -0.69 0.00 0.00 174.62 173.43 1fa4 s VAL 103 N 1.48 5.48 0.99 3.82 1.01 -1.16 -1.45 120.40 130.56 1fa4 s VAL 103 Ca 0.04 -2.17 -0.16 0.00 0.00 0.00 0.00 61.98 59.69 1fa4 s VAL 103 Cb -0.26 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.63 1fa4 s VAL 103 CO 0.02 -0.99 -0.31 0.00 0.00 0.00 0.00 175.10 173.81 1fa4 n ALA 104 N 4.40 -4.25 1.13 5.51 0.00 -1.25 -1.17 120.51 124.87 1fa4 n ALA 104 Ca 0.06 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 52.86 1fa4 n ALA 104 Cb 0.45 -1.41 0.21 0.00 0.00 0.00 0.00 19.45 18.70 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91