#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 1.43 0.57 6.31 2.01 -1.26 -3.58 115.64 121.12 1fa4 s THR 2 Ca 0.00 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.71 1fa4 s THR 2 Cb 0.00 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 1fa4 s THR 2 CO 0.00 -0.17 0.88 -0.31 -0.69 0.00 0.00 174.62 174.33 1fa4 s TYR 3 N 1.43 3.35 -0.24 4.92 1.51 -0.33 -4.98 117.35 123.01 1fa4 s TYR 3 Ca -0.04 0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 56.71 1fa4 s TYR 3 Cb -0.19 -2.64 0.13 0.00 -0.11 0.00 0.00 41.96 39.16 1fa4 s TYR 3 CO -0.08 -0.69 0.40 0.99 -1.11 0.00 0.00 175.55 175.06 1fa4 s THR 4 N -2.95 -0.63 -1.02 -0.71 2.01 -1.26 -1.76 115.64 109.32 1fa4 s THR 4 Ca 0.52 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 1fa4 s THR 4 Cb -0.10 -0.79 0.25 0.00 0.01 0.00 0.00 72.50 71.86 1fa4 s THR 4 CO 0.46 -0.08 0.97 1.33 -0.69 0.00 0.00 174.62 176.61 1fa4 n VAL 5 N 5.37 3.86 -1.70 3.82 0.24 -0.52 -4.79 118.33 124.61 1fa4 n VAL 5 Ca -0.04 -5.26 -0.38 0.00 -2.04 0.00 0.00 64.34 56.61 1fa4 n VAL 5 Cb 0.50 -2.49 0.05 0.00 -1.47 0.00 0.00 33.84 30.43 1fa4 n VAL 5 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1fa4 n LYS 6 N 2.48 1.26 -2.93 7.34 5.02 -1.23 -4.39 118.16 125.71 1fa4 n LYS 6 Ca 0.23 0.48 -0.12 0.00 -2.02 0.00 0.00 58.31 56.87 1fa4 n LYS 6 Cb 0.38 -2.42 -0.02 0.00 -0.02 0.00 0.00 35.03 32.94 1fa4 n LYS 6 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1fa4 n LEU 7 N -1.17 0.00 -2.41 -0.35 -0.00 -1.26 -2.38 117.00 109.43 1fa4 n LEU 7 Ca 0.13 -1.23 -0.01 0.00 -0.00 0.00 0.00 56.01 54.90 1fa4 n LEU 7 Cb 0.46 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1fa4 n LEU 7 CO 0.50 -0.22 -0.31 0.61 -0.00 0.00 0.00 177.39 177.97 1fa4 n GLY 8 N 2.57 -3.55 0.27 1.47 0.00 -1.24 -4.46 105.19 100.26 1fa4 n GLY 8 Ca -0.07 0.37 0.15 0.00 0.00 0.00 0.00 46.02 46.47 1fa4 n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fa4 h SER 9 N 2.15 0.00 0.00 1.61 4.64 -1.80 -3.46 113.55 116.69 1fa4 h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fa4 h SER 9 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1fa4 h SER 9 CO 0.08 0.09 0.00 -0.67 -0.87 0.00 0.00 176.83 175.47 1fa4 n ASP 10 N -3.39 -2.49 -0.30 4.97 2.03 -1.26 -4.92 116.55 111.20 1fa4 n ASP 10 Ca -0.01 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.33 1fa4 n ASP 10 Cb 0.26 -0.42 0.07 0.00 -0.72 0.00 0.00 41.12 40.32 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fa4 n LYS 11 N -2.82 2.86 0.00 -0.67 4.01 -1.26 -4.93 118.16 115.35 1fa4 n LYS 11 Ca 0.00 -1.74 0.00 0.00 -0.51 0.00 0.00 58.31 56.06 1fa4 n LYS 11 Cb 0.00 -1.13 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1fa4 n GLY 12 N -0.01 0.85 3.13 0.72 0.00 -1.26 -5.08 105.19 103.53 1fa4 n GLY 12 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1fa4 n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1fa4 s LEU 13 N 0.00 2.37 -0.20 0.99 2.34 -1.26 -5.12 118.68 117.81 1fa4 s LEU 13 Ca 0.00 -0.76 -0.02 0.00 0.06 0.00 0.00 54.13 53.41 1fa4 s LEU 13 Cb 0.00 -0.19 -0.00 0.00 -0.56 0.00 0.00 46.19 45.44 1fa4 s LEU 13 CO 0.00 -0.29 -0.09 -0.76 -1.06 0.00 0.00 176.35 174.15 1fa4 s LEU 14 N -2.25 2.71 0.03 1.48 1.43 -1.26 -3.08 118.68 117.73 1fa4 s LEU 14 Ca 0.01 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 1fa4 s LEU 14 Cb -0.04 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1fa4 s LEU 14 CO -0.01 0.01 0.28 0.68 0.23 0.00 0.00 176.35 177.54 1fa4 s VAL 15 N 1.28 0.08 0.59 -1.59 -7.23 -1.26 -3.67 120.40 108.60 1fa4 s VAL 15 Ca 0.03 -0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 59.38 1fa4 s VAL 15 Cb -0.14 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1fa4 s VAL 15 CO -0.04 -0.37 1.04 -0.36 -0.31 0.00 0.00 175.10 175.05 1fa4 s PHE 16 N -2.24 3.21 -0.19 2.82 0.08 -1.26 -3.60 117.98 116.80 1fa4 s PHE 16 Ca -0.07 1.46 -0.05 0.00 0.12 0.00 0.00 56.93 58.39 1fa4 s PHE 16 Cb -0.02 -2.89 0.07 0.00 -0.57 0.00 0.00 43.02 39.61 1fa4 s PHE 16 CO -0.02 -0.89 0.14 -1.21 -0.10 0.00 0.00 175.22 173.15 1fa4 s GLU 17 N -4.38 0.11 0.82 0.44 2.02 -1.00 -3.60 118.70 113.11 1fa4 s GLU 17 Ca 0.60 0.02 -0.14 0.00 0.02 0.00 0.00 54.97 55.47 1fa4 s GLU 17 Cb -0.13 -1.58 0.19 0.00 0.10 0.00 0.00 34.13 32.71 1fa4 s GLU 17 CO 0.41 -0.67 1.00 -0.35 0.02 0.00 0.00 175.26 175.66 1fa4 n PRO 18 N 5.29 -1.43 0.20 0.39 -0.04 -1.26 -3.49 135.00 134.65 1fa4 n PRO 18 Ca -0.06 -1.56 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 1fa4 n PRO 18 Cb 0.49 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.02 -0.56 -1.58 0.55 0.00 -1.95 -3.46 119.26 110.24 1fa4 h ALA 19 Ca -0.34 -0.16 -0.43 0.00 0.00 0.00 0.00 54.91 53.98 1fa4 h ALA 19 Cb 0.95 0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1fa4 h ALA 19 CO 0.23 -0.56 -0.25 -1.59 0.00 0.00 0.00 179.25 177.08 1fa4 s LYS 20 N -3.80 2.87 -0.14 0.00 -2.85 -1.26 -3.72 119.74 110.84 1fa4 s LYS 20 Ca -0.11 -1.12 -0.29 0.00 -1.00 0.00 0.00 55.97 53.46 1fa4 s LYS 20 Cb 0.01 -2.74 0.07 0.00 -2.06 0.00 0.00 37.83 33.11 1fa4 s LYS 20 CO 0.36 -0.24 0.70 -1.17 0.10 0.00 0.00 175.35 175.09 1fa4 s LEU 21 N -4.36 -0.69 -0.28 2.77 0.20 -1.07 -4.95 118.68 110.31 1fa4 s LEU 21 Ca 0.53 1.00 -0.02 0.00 0.69 0.00 0.00 54.13 56.33 1fa4 s LEU 21 Cb -0.10 2.51 0.03 0.00 -0.43 0.00 0.00 46.19 48.20 1fa4 s LEU 21 CO 0.33 -0.47 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.02 1fa4 s THR 22 N -0.57 3.03 0.33 3.68 2.01 -1.26 0.13 115.64 122.99 1fa4 s THR 22 Ca -0.07 -1.15 0.10 0.00 0.31 0.00 0.00 61.69 60.88 1fa4 s THR 22 Cb -0.02 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 1fa4 s THR 22 CO 0.06 0.05 -0.05 0.27 -0.69 0.00 0.00 174.62 174.27 1fa4 s ILE 23 N 1.31 2.53 0.68 1.82 -4.36 -0.68 -4.85 121.20 117.66 1fa4 s ILE 23 Ca -0.02 -2.09 -0.10 0.00 -0.26 0.00 0.00 60.65 58.18 1fa4 s ILE 23 Cb -0.18 -2.70 0.02 0.00 1.25 0.00 0.00 42.46 40.86 1fa4 s ILE 23 CO -0.02 -0.23 1.04 -0.54 0.24 0.00 0.00 174.94 175.43 1fa4 s LYS 24 N -3.66 2.75 -1.07 0.37 -0.14 -1.26 -3.73 119.74 113.00 1fa4 s LYS 24 Ca 0.33 0.25 -0.22 0.00 -1.36 0.00 0.00 55.97 54.96 1fa4 s LYS 24 Cb -0.00 -2.10 -0.00 0.00 -1.68 0.00 0.00 37.83 34.05 1fa4 s LYS 24 CO 0.18 -1.01 1.75 -1.25 -0.76 0.00 0.00 175.35 174.27 1fa4 s PRO 25 N -5.27 3.13 0.00 -1.68 0.04 -1.26 -2.39 135.00 127.57 1fa4 s PRO 25 Ca 0.57 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1fa4 s PRO 25 Cb -0.11 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1fa4 s PRO 25 CO 0.49 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1fa4 n GLY 26 N 6.39 0.53 2.44 0.56 0.00 -1.09 -4.58 105.19 109.44 1fa4 n GLY 26 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.53 -4.15 1.61 8.00 -1.00 -4.46 116.55 115.01 1fa4 n ASP 27 Ca 0.00 -1.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.17 1fa4 n ASP 27 Cb 0.00 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 1fa4 n ASP 27 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1fa4 s THR 28 N -2.44 2.06 0.06 -3.53 2.01 -1.24 -1.84 115.64 110.72 1fa4 s THR 28 Ca 0.49 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.58 1fa4 s THR 28 Cb -0.04 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1fa4 s THR 28 CO 0.37 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.09 1fa4 s VAL 29 N 1.01 3.62 -0.01 3.82 1.01 -1.22 -1.19 120.40 127.45 1fa4 s VAL 29 Ca -0.02 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1fa4 s VAL 29 Cb -0.14 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1fa4 s VAL 29 CO -0.07 0.24 -0.21 -0.70 0.00 0.00 0.00 175.10 174.37 1fa4 s GLU 30 N -1.87 2.19 -0.37 2.72 2.56 -0.72 -3.31 118.70 119.90 1fa4 s GLU 30 Ca 0.20 -0.89 0.02 0.00 0.00 0.00 0.00 54.97 54.31 1fa4 s GLU 30 Cb -0.11 -2.16 0.15 0.00 2.00 0.00 0.00 34.13 34.01 1fa4 s GLU 30 CO 0.12 0.57 0.33 -0.06 -0.56 0.00 0.00 175.26 175.65 1fa4 s PHE 31 N -0.72 0.06 0.64 5.30 0.40 -1.26 -1.44 117.98 120.95 1fa4 s PHE 31 Ca 0.11 -1.13 0.07 0.00 -0.60 0.00 0.00 56.93 55.38 1fa4 s PHE 31 Cb -0.10 -0.57 0.11 0.00 0.51 0.00 0.00 43.02 42.97 1fa4 s PHE 31 CO 0.01 -0.92 0.88 -0.48 0.70 0.00 0.00 175.22 175.41 1fa4 s LEU 32 N 1.26 2.99 0.47 -0.37 2.34 -1.26 -4.35 118.68 119.75 1fa4 s LEU 32 Ca 0.18 -0.80 0.00 0.00 0.06 0.00 0.00 54.13 53.57 1fa4 s LEU 32 Cb -0.17 -1.54 0.00 0.00 -0.56 0.00 0.00 46.19 43.92 1fa4 s LEU 32 CO -0.02 -1.59 0.69 0.54 -1.06 0.00 0.00 176.35 174.91 1fa4 s ASN 33 N -4.74 5.74 0.00 1.48 4.22 -1.26 -4.23 114.94 116.15 1fa4 s ASN 33 Ca 0.64 0.24 0.00 0.00 -2.14 0.00 0.00 52.86 51.60 1fa4 s ASN 33 Cb -0.05 -1.42 0.00 0.00 1.28 0.00 0.00 41.25 41.07 1fa4 s ASN 33 CO 0.41 -0.78 0.00 -3.20 -2.04 0.00 0.00 177.10 171.49 1fa4 n ASN 34 N -2.13 0.00 -2.09 3.54 5.15 -1.26 -3.79 115.26 114.68 1fa4 n ASN 34 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1fa4 n ASN 34 Cb 0.58 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.86 1fa4 n ASN 34 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1fa4 n LYS 35 N -0.66 0.84 -2.80 1.20 2.85 -1.26 -4.70 118.16 113.62 1fa4 n LYS 35 Ca 0.00 -2.28 -0.10 0.00 -1.05 0.00 0.00 58.31 54.88 1fa4 n LYS 35 Cb 0.00 -0.44 0.07 0.00 -0.65 0.00 0.00 35.03 34.01 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1fa4 n VAL 36 N -0.29 -0.03 -1.78 0.58 0.31 -1.26 -5.14 118.33 110.73 1fa4 n VAL 36 Ca -0.02 -1.98 -0.29 0.00 -0.01 0.00 0.00 64.34 62.03 1fa4 n VAL 36 Cb 0.92 1.22 0.15 0.00 -0.91 0.00 0.00 33.84 35.21 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 -0.13 0.98 0.54 5.55 0.04 -1.26 -4.73 135.00 135.99 1fa4 s PRO 37 Ca 0.25 -0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.14 1fa4 s PRO 37 Cb 0.30 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.96 1fa4 s PRO 37 CO -0.06 -2.23 0.85 -1.25 0.04 0.00 0.00 177.00 174.35 1fa4 s PRO 38 N -5.65 3.26 0.08 0.56 0.04 -1.26 -5.12 135.00 126.91 1fa4 s PRO 38 Ca 0.68 0.14 0.09 0.00 0.04 0.00 0.00 61.00 61.95 1fa4 s PRO 38 Cb -0.08 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1fa4 s PRO 38 CO 0.52 -0.45 -0.23 -1.01 0.04 0.00 0.00 177.00 175.86 1fa4 s HIS 39 N -2.88 2.40 -0.22 0.56 3.76 -1.20 -4.78 115.29 112.92 1fa4 s HIS 39 Ca 0.51 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.09 1fa4 s HIS 39 Cb -0.10 -1.37 0.04 0.00 1.11 0.00 0.00 32.58 32.26 1fa4 s HIS 39 CO 0.46 0.25 -0.15 1.21 -0.85 0.00 0.00 174.74 175.65 1fa4 s ASN 40 N -1.62 3.86 -0.36 1.40 3.04 -1.26 -2.50 114.94 117.50 1fa4 s ASN 40 Ca 0.14 -1.06 -0.13 0.00 0.04 0.00 0.00 52.86 51.84 1fa4 s ASN 40 Cb -0.10 -1.52 -0.01 0.00 -1.54 0.00 0.00 41.25 38.08 1fa4 s ASN 40 CO 0.05 -0.11 0.26 -0.69 -3.04 0.00 0.00 177.10 173.57 1fa4 s VAL 41 N 1.19 5.28 0.08 -5.21 1.01 -1.26 -4.11 120.40 117.37 1fa4 s VAL 41 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1fa4 s VAL 41 Cb -0.17 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1fa4 s VAL 41 CO -0.09 -0.08 0.31 -0.69 0.00 0.00 0.00 175.10 174.55 1fa4 s VAL 42 N 1.72 0.09 -0.33 2.92 1.01 -1.26 -3.76 120.40 120.80 1fa4 s VAL 42 Ca 0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1fa4 s VAL 42 Cb -0.18 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1fa4 s VAL 42 CO 0.10 -0.41 0.10 -0.36 0.00 0.00 0.00 175.10 174.54 1fa4 s PHE 43 N -3.18 3.23 0.90 5.22 0.08 -1.26 -2.71 117.98 120.26 1fa4 s PHE 43 Ca -0.01 -1.32 -0.15 0.00 0.12 0.00 0.00 56.93 55.58 1fa4 s PHE 43 Cb 0.01 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 1fa4 s PHE 43 CO -0.07 -0.70 -0.03 -3.47 -0.10 0.00 0.00 175.22 170.85 1fa4 n ASP 44 N 4.83 -3.41 -1.67 1.36 -0.08 -1.20 -4.87 116.55 111.51 1fa4 n ASP 44 Ca -0.13 0.34 -0.15 0.00 -1.51 0.00 0.00 54.79 53.35 1fa4 n ASP 44 Cb 0.45 -1.03 0.18 0.00 2.34 0.00 0.00 41.12 43.06 1fa4 n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fa4 n ALA 45 N -2.89 4.98 -0.01 -1.67 0.00 -1.26 -4.44 120.51 115.22 1fa4 n ALA 45 Ca 0.04 -3.12 -0.01 0.00 0.00 0.00 0.00 53.44 50.35 1fa4 n ALA 45 Cb 0.53 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.10 1.95 -2.83 0.00 0.00 -1.26 -4.77 120.51 112.50 1fa4 n ALA 46 Ca 0.46 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 1fa4 n ALA 46 Cb 1.24 0.25 0.01 0.00 0.00 0.00 0.00 19.45 20.94 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 -2.16 6.76 -4.67 0.00 4.32 -1.26 -4.99 117.00 114.99 1fa4 n LEU 47 Ca -0.04 -5.33 -0.24 0.00 -0.02 0.00 0.00 56.01 50.39 1fa4 n LEU 47 Cb 0.56 -1.17 -0.07 0.00 -1.62 0.00 0.00 43.42 41.12 1fa4 n LEU 47 CO 0.04 1.92 -0.31 0.54 -1.22 0.00 0.00 177.39 178.35 1fa4 s ASN 48 N -1.66 4.69 0.09 -1.43 2.20 -1.26 -4.64 114.94 112.92 1fa4 s ASN 48 Ca 0.36 -0.55 -0.02 0.00 -0.94 0.00 0.00 52.86 51.72 1fa4 s ASN 48 Cb 0.13 -0.94 -0.27 0.00 -2.00 0.00 0.00 41.25 38.18 1fa4 s ASN 48 CO -0.03 0.02 1.18 1.55 -2.94 0.00 0.00 177.10 176.88 1fa4 h PRO 49 N 2.04 0.20 -0.40 3.55 0.13 -1.92 -3.34 132.00 132.26 1fa4 h PRO 49 Ca -0.45 -0.35 -0.30 0.00 -0.87 0.00 0.00 66.00 64.03 1fa4 h PRO 49 Cb 1.24 0.13 -0.26 0.00 0.13 0.00 0.00 31.00 32.23 1fa4 h PRO 49 CO 0.60 1.17 -0.73 0.00 -0.23 0.00 0.00 178.00 178.80 1fa4 n ALA 50 N -2.49 4.19 -3.80 -0.56 0.00 -1.26 -4.97 120.51 111.62 1fa4 n ALA 50 Ca -0.06 -3.45 -0.22 0.00 0.00 0.00 0.00 53.44 49.70 1fa4 n ALA 50 Cb 1.00 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.79 -0.95 -4.71 0.00 2.85 -1.26 -4.90 118.16 108.41 1fa4 n LYS 51 Ca 0.30 0.07 -0.24 0.00 -1.05 0.00 0.00 58.31 57.39 1fa4 n LYS 51 Cb 0.86 -2.58 -0.15 0.00 -0.65 0.00 0.00 35.03 32.52 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1fa4 s SER 52 N -3.96 1.95 -0.01 -5.58 0.01 -1.26 -5.01 113.70 99.84 1fa4 s SER 52 Ca 0.02 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.94 1fa4 s SER 52 Cb -0.01 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1fa4 s SER 52 CO 0.71 0.18 0.98 0.00 0.41 0.00 0.00 173.24 175.52 1fa4 n ALA 53 N 2.49 1.96 -0.30 1.44 0.00 -1.26 -4.70 120.51 120.15 1fa4 n ALA 53 Ca -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.20 1fa4 n ALA 53 Cb 0.54 -0.02 0.10 0.00 0.00 0.00 0.00 19.45 20.07 1fa4 n ALA 53 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1fa4 h ASP 54 N 0.00 1.09 0.79 0.00 3.58 -2.00 0.13 116.42 120.01 1fa4 h ASP 54 Ca 0.00 -0.13 -0.25 0.00 0.42 0.00 0.00 57.03 57.08 1fa4 h ASP 54 Cb 0.55 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1fa4 h ASP 54 CO 0.00 0.91 -1.17 0.17 -2.88 0.00 0.00 179.24 176.27 1fa4 h LEU 55 N 1.19 0.19 -0.27 2.28 8.10 -2.00 -3.32 115.31 121.47 1fa4 h LEU 55 Ca 0.29 -0.21 -0.09 0.00 0.11 0.00 0.00 57.88 57.97 1fa4 h LEU 55 Cb 0.11 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.27 1fa4 h LEU 55 CO -0.04 1.17 -0.19 0.00 -4.11 0.00 0.00 178.44 175.27 1fa4 h ALA 56 N 0.81 0.39 -0.99 0.17 0.00 -1.75 1.31 119.26 119.19 1fa4 h ALA 56 Ca -0.09 -0.35 0.28 0.00 0.00 0.00 0.00 54.91 54.75 1fa4 h ALA 56 Cb 1.88 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 1fa4 h ALA 56 CO 0.16 0.32 0.70 -0.22 0.00 0.00 0.00 179.25 180.21 1fa4 h LYS 57 N 0.34 0.06 0.00 0.00 3.64 -0.85 -2.61 116.57 117.16 1fa4 h LYS 57 Ca 0.05 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.15 1fa4 h LYS 57 Cb 0.73 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1fa4 h LYS 57 CO 0.05 0.04 -2.06 0.45 -2.27 0.00 0.00 179.45 175.66 1fa4 n SER 58 N -4.29 2.51 -0.28 4.20 2.88 -1.06 -4.61 113.62 112.97 1fa4 n SER 58 Ca 0.21 -0.09 -0.07 0.00 -1.33 0.00 0.00 58.87 57.59 1fa4 n SER 58 Cb 1.02 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 64.14 1fa4 n SER 58 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1fa4 h LEU 59 N -0.03 -1.60-10.15 2.46 5.85 0.21 -3.40 115.31 108.65 1fa4 h LEU 59 Ca -0.42 0.28 -0.47 0.00 0.84 0.00 0.00 57.88 58.11 1fa4 h LEU 59 Cb 1.63 0.75 0.01 0.00 0.37 0.00 0.00 40.66 43.42 1fa4 h LEU 59 CO -0.07 -0.31 0.37 -0.94 -0.34 0.00 0.00 178.44 177.15 1fa4 s SER 60 N -5.26 6.57 0.67 1.25 1.04 -1.04 -4.81 113.70 112.10 1fa4 s SER 60 Ca -0.14 1.66 0.02 0.00 0.48 0.00 0.00 55.95 57.97 1fa4 s SER 60 Cb 0.15 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.85 1fa4 s SER 60 CO 0.67 -0.62 0.92 -1.38 0.98 0.00 0.00 173.24 173.80 1fa4 s HIS 61 N -2.44 1.75 -0.02 5.02 -3.43 -1.25 -4.93 115.29 109.99 1fa4 s HIS 61 Ca 0.61 -0.32 -0.06 0.00 -0.80 0.00 0.00 55.06 54.48 1fa4 s HIS 61 Cb -0.11 -2.81 -0.03 0.00 -1.43 0.00 0.00 32.58 28.21 1fa4 s HIS 61 CO 0.27 -1.47 -0.13 1.63 -2.00 0.00 0.00 174.74 173.04 1fa4 n LYS 62 N -2.64 0.19 -1.41 -0.38 4.76 -1.26 -4.89 118.16 112.53 1fa4 n LYS 62 Ca 0.14 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 1fa4 n LYS 62 Cb 0.61 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fa4 n GLN 63 N -3.75 0.38 -1.77 1.97 10.64 -1.26 -4.92 117.38 118.66 1fa4 n GLN 63 Ca -0.08 0.14 -0.29 0.00 -1.83 0.00 0.00 57.00 54.93 1fa4 n GLN 63 Cb 0.29 -1.33 0.09 0.00 -0.86 0.00 0.00 30.24 28.43 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1fa4 s LEU 64 N 2.57 2.51 -0.44 2.61 1.02 -1.26 -4.96 118.68 120.73 1fa4 s LEU 64 Ca 0.62 0.97 -0.18 0.00 0.02 0.00 0.00 54.13 55.56 1fa4 s LEU 64 Cb -0.64 -3.52 0.03 0.00 0.02 0.00 0.00 46.19 42.08 1fa4 s LEU 64 CO 0.59 -1.91 0.52 -0.76 0.02 0.00 0.00 176.35 174.80 1fa4 s LEU 65 N -5.65 4.84 0.00 1.79 1.02 -1.04 -4.85 118.68 114.79 1fa4 s LEU 65 Ca 0.61 -0.67 0.03 0.00 0.02 0.00 0.00 54.13 54.11 1fa4 s LEU 65 Cb -0.12 -2.47 0.02 0.00 0.02 0.00 0.00 46.19 43.64 1fa4 s LEU 65 CO 0.51 -0.69 0.56 0.80 0.02 0.00 0.00 176.35 177.56 1fa4 n MET 66 N 5.84 -0.36 -3.42 1.70 1.56 -1.26 -3.27 117.12 117.91 1fa4 n MET 66 Ca -0.06 -0.63 -0.34 0.00 -0.27 0.00 0.00 57.70 56.40 1fa4 n MET 66 Cb 0.47 -1.03 -0.06 0.00 2.15 0.00 0.00 33.22 34.75 1fa4 n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1fa4 s SER 67 N -0.26 6.70 -1.06 6.12 0.15 -1.26 -5.00 113.70 119.10 1fa4 s SER 67 Ca 0.03 0.95 -0.22 0.00 0.70 0.00 0.00 55.95 57.41 1fa4 s SER 67 Cb 0.02 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1fa4 s SER 67 CO 0.04 0.04 1.58 -2.16 1.20 0.00 0.00 173.24 173.94 1fa4 s PRO 68 N -2.34 3.48 0.00 5.44 0.04 -1.26 -3.57 135.00 136.79 1fa4 s PRO 68 Ca 0.41 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1fa4 s PRO 68 Cb -0.13 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1fa4 s PRO 68 CO 0.20 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1fa4 n GLY 69 N 6.59 1.04 2.74 0.56 0.00 -1.25 -5.00 105.19 109.89 1fa4 n GLY 69 Ca 0.37 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.66 0.51 0.00 1.61 0.74 -1.23 -4.81 119.66 113.82 1fa4 s GLN 70 Ca 0.00 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.79 1fa4 s GLN 70 Cb 0.00 -0.73 0.00 0.00 1.10 0.00 0.00 33.01 33.38 1fa4 s GLN 70 CO 0.00 -1.13 0.00 -1.13 -0.55 0.00 0.00 175.29 172.48 1fa4 n SER 71 N 4.63 0.00 -3.64 6.67 3.41 -1.26 -4.40 113.62 119.03 1fa4 n SER 71 Ca 0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1fa4 n SER 71 Cb 0.45 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.58 -0.61 -1.23 6.66 -1.32 -1.26 -5.06 115.64 114.41 1fa4 s THR 72 Ca 0.00 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.29 1fa4 s THR 72 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 1fa4 s THR 72 CO 0.00 0.00 1.69 -0.44 -2.21 0.00 0.00 174.62 173.66 1fa4 s SER 73 N 2.41 6.64 -0.46 8.08 0.01 -1.26 -4.43 113.70 124.69 1fa4 s SER 73 Ca -0.07 -2.16 -0.26 0.00 1.31 0.00 0.00 55.95 54.76 1fa4 s SER 73 Cb -0.09 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 1fa4 s SER 73 CO -0.19 -1.38 2.39 0.41 0.41 0.00 0.00 173.24 174.89 1fa4 n THR 74 N 6.61 -0.02 -2.52 1.44 -1.04 -1.21 -4.84 114.28 112.70 1fa4 n THR 74 Ca 0.45 -0.75 -0.40 0.00 -2.04 0.00 0.00 64.05 61.31 1fa4 n THR 74 Cb 0.47 -2.75 -0.02 0.00 -1.82 0.00 0.00 70.33 66.21 1fa4 n THR 74 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1fa4 s THR 75 N 11.66 3.94 0.36 12.58 -1.32 -1.26 -3.37 115.64 138.23 1fa4 s THR 75 Ca 0.99 -1.14 -0.16 0.00 -1.21 0.00 0.00 61.69 60.17 1fa4 s THR 75 Cb -0.21 -5.02 -0.12 0.00 -1.51 0.00 0.00 72.50 65.63 1fa4 s THR 75 CO 0.28 -1.87 0.01 0.49 -2.21 0.00 0.00 174.62 171.31 1fa4 n PHE 76 N 9.26 -1.94 -1.79 9.09 3.01 -0.77 -4.92 117.46 129.40 1fa4 n PHE 76 Ca 0.39 0.46 -0.30 0.00 1.01 0.00 0.00 57.45 59.02 1fa4 n PHE 76 Cb 0.49 -1.42 0.17 0.00 -0.01 0.00 0.00 39.48 38.71 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 -0.81 0.70 0.00 -1.08 0.04 -1.26 -4.41 135.00 128.18 1fa4 s PRO 77 Ca 0.47 -0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.37 1fa4 s PRO 77 Cb -0.48 -1.83 0.19 0.00 0.04 0.00 0.00 34.50 32.42 1fa4 s PRO 77 CO 0.52 -2.40 1.15 0.00 0.04 0.00 0.00 177.00 176.31 1fa4 n ALA 78 N -3.81 2.47 0.70 8.56 0.00 -1.26 -2.65 120.51 124.53 1fa4 n ALA 78 Ca 0.13 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1fa4 n ALA 78 Cb 0.60 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 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 0.01 0.69 -3.20 0.00 -0.08 -1.26 -4.89 116.55 107.82 1fa4 n ASP 79 Ca 0.06 -0.65 -0.36 0.00 -1.51 0.00 0.00 54.79 52.33 1fa4 n ASP 79 Cb 0.15 1.21 -0.10 0.00 2.34 0.00 0.00 41.12 44.73 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fa4 n ALA 80 N -1.73 0.19 -1.75 -1.67 0.00 -1.19 -4.83 120.51 109.54 1fa4 n ALA 80 Ca 0.02 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 1fa4 n ALA 80 Cb 0.40 -1.59 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 5.58 3.63 0.12 0.00 0.04 -1.26 -4.63 135.00 138.48 1fa4 s PRO 81 Ca 0.94 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 1fa4 s PRO 81 Cb -1.00 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 1fa4 s PRO 81 CO 0.41 -0.56 1.27 0.00 0.04 0.00 0.00 177.00 178.17 1fa4 s ALA 82 N -2.28 3.48 0.00 8.56 0.00 -1.26 -4.73 121.76 125.53 1fa4 s ALA 82 Ca 0.64 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1fa4 s ALA 82 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1fa4 s ALA 82 CO 0.28 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1fa4 n GLY 83 N 2.98 -0.21 3.15 0.00 0.00 0.40 -4.93 105.19 106.58 1fa4 n GLY 83 Ca 0.08 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1fa4 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fa4 s GLU 84 N -2.00 1.56 0.06 1.61 8.01 -1.26 -2.65 118.70 124.02 1fa4 s GLU 84 Ca 0.00 -0.61 0.01 0.00 0.01 0.00 0.00 54.97 54.38 1fa4 s GLU 84 Cb 0.00 -1.43 0.01 0.00 -4.31 0.00 0.00 34.13 28.39 1fa4 s GLU 84 CO 0.00 0.31 0.07 0.66 0.01 0.00 0.00 175.26 176.31 1fa4 n TYR 85 N 2.88 -2.70 -3.13 1.61 4.02 -0.09 -4.62 117.16 115.14 1fa4 n TYR 85 Ca -0.16 -0.21 0.04 0.00 -0.01 0.00 0.00 57.90 57.56 1fa4 n TYR 85 Cb 0.54 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1fa4 n TYR 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1fa4 s THR 86 N 0.51 -0.66 0.28 -0.72 2.01 -1.26 -3.85 115.64 111.95 1fa4 s THR 86 Ca 0.06 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.12 1fa4 s THR 86 Cb -0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1fa4 s THR 86 CO 0.04 0.00 0.35 0.72 -0.69 0.00 0.00 174.62 175.04 1fa4 s PHE 87 N 2.73 3.21 0.00 4.92 -0.71 -0.31 -3.24 117.98 124.58 1fa4 s PHE 87 Ca 0.18 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 1fa4 s PHE 87 Cb -0.05 -1.70 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 1fa4 s PHE 87 CO -0.22 0.29 0.00 2.48 -1.34 0.00 0.00 175.22 176.42 1fa4 n TYR 88 N -1.43 -0.14 -4.36 3.49 4.11 -1.10 -1.99 117.16 115.74 1fa4 n TYR 88 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.66 1fa4 n TYR 88 Cb 0.58 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.78 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 5.68 0.33 0.04 0.00 4.81 -1.96 -3.33 114.58 120.16 1fa4 h GLU 90 Ca -0.32 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1fa4 h GLU 90 Cb 1.18 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1fa4 h GLU 90 CO 0.48 1.16 -0.02 -1.00 -0.73 0.00 0.00 179.01 178.90 1fa4 h PRO 91 N -0.28 -0.05 -3.02 0.92 0.13 -1.93 -3.35 132.00 124.42 1fa4 h PRO 91 Ca -0.10 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.66 1fa4 h PRO 91 Cb 1.45 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1fa4 h PRO 91 CO 0.13 -0.03 2.10 0.72 -0.23 0.00 0.00 178.00 180.68 1fa4 n HIS 92 N -3.67 1.20 0.85 1.56 8.25 -1.26 -4.08 115.22 118.06 1fa4 n HIS 92 Ca -0.01 -1.94 0.09 0.00 -0.26 0.00 0.00 57.72 55.60 1fa4 n HIS 92 Cb 0.02 -1.72 -0.08 0.00 1.12 0.00 0.00 29.99 29.33 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 3.63 1.14 -0.43 -0.41 0.63 -1.25 -4.09 116.66 115.87 1fa4 n ARG 93 Ca 0.48 -0.24 -0.01 0.00 -0.92 0.00 0.00 57.85 57.16 1fa4 n ARG 93 Cb 0.30 -1.36 0.15 0.00 0.45 0.00 0.00 32.46 31.99 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fa4 n GLY 94 N 1.39 2.42 0.00 5.14 0.00 -1.26 -4.79 105.19 108.09 1fa4 n GLY 94 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.13 0.00 -2.22 4.61 0.00 -1.26 -5.05 120.51 116.72 1fa4 n ALA 95 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 1fa4 n ALA 95 Cb 0.77 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.28 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 0.77 4.29 2.76 0.00 0.00 -1.26 -4.94 105.19 106.81 1fa4 n GLY 96 Ca 0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.61 2.91 -3.61 1.61 2.00 -1.24 -4.47 117.12 113.70 1fa4 n MET 97 Ca 0.25 -2.68 -0.23 0.00 0.00 0.00 0.00 57.70 55.04 1fa4 n MET 97 Cb 0.89 -3.27 -0.17 0.00 0.00 0.00 0.00 33.22 30.68 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 3.05 -0.14 0.44 2.03 1.01 -1.26 -3.22 120.40 122.31 1fa4 s VAL 98 Ca 0.47 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.54 1fa4 s VAL 98 Cb 0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1fa4 s VAL 98 CO -0.08 -0.12 0.17 -0.83 0.00 0.00 0.00 175.10 174.24 1fa4 s GLY 99 N 2.18 2.45 -0.14 4.51 0.00 -0.84 -4.89 107.32 110.59 1fa4 s GLY 99 Ca 0.03 -1.81 -0.07 0.00 0.00 0.00 0.00 44.72 42.87 1fa4 s GLY 99 CO -0.08 -1.97 0.32 0.54 0.00 0.00 0.00 173.10 171.91 1fa4 s LYS 100 N -3.93 0.28 0.52 2.90 1.02 -1.24 -1.16 119.74 118.13 1fa4 s LYS 100 Ca 0.35 0.68 -0.16 0.00 0.02 0.00 0.00 55.97 56.87 1fa4 s LYS 100 Cb 0.03 -0.05 -0.07 0.00 -0.52 0.00 0.00 37.83 37.22 1fa4 s LYS 100 CO 0.19 -0.18 0.98 0.42 -0.92 0.00 0.00 175.35 175.85 1fa4 s ILE 101 N 1.50 4.56 -0.44 2.17 1.01 -1.25 -2.58 121.20 126.16 1fa4 s ILE 101 Ca -0.08 1.16 0.02 0.00 0.00 0.00 0.00 60.65 61.75 1fa4 s ILE 101 Cb -0.10 -3.73 0.13 0.00 0.01 0.00 0.00 42.46 38.77 1fa4 s ILE 101 CO -0.10 -0.72 0.23 -0.89 0.00 0.00 0.00 174.94 173.46 1fa4 s THR 102 N -2.66 1.45 -0.27 2.92 2.01 0.35 -0.91 115.64 118.53 1fa4 s THR 102 Ca 0.58 -2.56 -0.11 0.00 0.31 0.00 0.00 61.69 59.91 1fa4 s THR 102 Cb -0.10 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1fa4 s THR 102 CO 0.33 -0.88 0.18 -0.69 -0.69 0.00 0.00 174.62 172.87 1fa4 s VAL 103 N 0.36 5.32 0.00 3.82 1.01 -1.09 -1.68 120.40 128.15 1fa4 s VAL 103 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1fa4 s VAL 103 Cb -0.24 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1fa4 s VAL 103 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.38 1fa4 n ALA 104 N 4.79 0.00 -1.11 5.51 0.00 -1.26 -0.46 120.51 127.99 1fa4 n ALA 104 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1fa4 n ALA 104 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91