#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 0.41 0.04 2.62 2.01 -1.26 -3.93 115.64 115.53 1fa4 s THR 2 Ca 0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1fa4 s THR 2 Cb 0.00 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1fa4 s THR 2 CO 0.00 -0.39 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.14 1fa4 s TYR 3 N -1.32 0.85 -0.25 4.92 2.02 -1.02 -5.02 117.35 117.52 1fa4 s TYR 3 Ca -0.11 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 1fa4 s TYR 3 Cb -0.09 -0.50 0.09 0.00 -0.40 0.00 0.00 41.96 41.05 1fa4 s TYR 3 CO -0.00 -0.03 0.10 -0.08 -1.57 0.00 0.00 175.55 173.98 1fa4 s THR 4 N -1.16 0.16 -1.34 -0.71 -1.32 -1.26 0.24 115.64 110.25 1fa4 s THR 4 Ca -0.05 -0.70 -0.09 0.00 -1.21 0.00 0.00 61.69 59.63 1fa4 s THR 4 Cb -0.09 -1.01 0.12 0.00 -1.51 0.00 0.00 72.50 70.01 1fa4 s THR 4 CO 0.01 -0.55 2.12 1.33 -2.21 0.00 0.00 174.62 175.32 1fa4 n VAL 5 N 5.16 4.38 -1.46 5.08 0.24 0.96 -4.76 118.33 127.94 1fa4 n VAL 5 Ca -0.06 -4.02 -0.49 0.00 -2.04 0.00 0.00 64.34 57.73 1fa4 n VAL 5 Cb 0.44 -2.36 -0.07 0.00 -1.47 0.00 0.00 33.84 30.38 1fa4 n VAL 5 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1fa4 n LYS 6 N 3.76 1.06 -0.96 7.34 2.85 -1.16 -4.10 118.16 126.95 1fa4 n LYS 6 Ca 0.49 0.27 -0.30 0.00 -1.05 0.00 0.00 58.31 57.72 1fa4 n LYS 6 Cb 0.33 -2.51 0.24 0.00 -0.65 0.00 0.00 35.03 32.44 1fa4 n LYS 6 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1fa4 s LEU 7 N 7.72 0.62 0.02 -5.58 2.34 -1.06 -3.41 118.68 119.33 1fa4 s LEU 7 Ca 1.10 0.83 0.00 0.00 0.06 0.00 0.00 54.13 56.12 1fa4 s LEU 7 Cb -0.82 -2.62 0.00 0.00 -0.56 0.00 0.00 46.19 42.19 1fa4 s LEU 7 CO 0.47 -4.12 0.00 0.61 -1.06 0.00 0.00 176.35 172.25 1fa4 n GLY 8 N -0.53 -4.80 0.00 -3.48 0.00 -0.94 -4.00 105.19 91.45 1fa4 n GLY 8 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.19 0.00 -0.51 1.61 3.41 -0.95 -4.81 113.62 113.56 1fa4 n SER 9 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1fa4 n SER 9 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.25 0.00 4.04 2.03 -1.26 -4.97 116.55 116.14 1fa4 n ASP 10 Ca 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1fa4 n ASP 10 Cb 0.00 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 2.55 0.00 -0.67 4.81 -1.26 -4.99 118.16 118.59 1fa4 n LYS 11 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1fa4 n LYS 11 Cb 0.34 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.17 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 0.37 0.18 3.57 3.14 0.00 -1.26 -5.13 105.19 106.05 1fa4 n GLY 12 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.08 -0.48 0.99 1.43 -1.26 -5.07 118.68 117.38 1fa4 s LEU 13 Ca 0.00 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 1fa4 s LEU 13 Cb 0.00 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.61 1fa4 s LEU 13 CO 0.00 0.32 0.38 -0.76 0.23 0.00 0.00 176.35 176.52 1fa4 s LEU 14 N -1.08 5.69 -0.04 1.79 1.43 -1.26 -2.24 118.68 122.97 1fa4 s LEU 14 Ca 0.14 -1.64 -0.03 0.00 -1.03 0.00 0.00 54.13 51.57 1fa4 s LEU 14 Cb -0.11 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1fa4 s LEU 14 CO 0.04 -0.69 0.11 0.68 0.23 0.00 0.00 176.35 176.72 1fa4 s VAL 15 N 1.51 -0.01 0.59 -1.59 -7.23 -1.26 -4.44 120.40 107.98 1fa4 s VAL 15 Ca 0.04 0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.05 1fa4 s VAL 15 Cb -0.26 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1fa4 s VAL 15 CO 0.03 0.01 1.08 0.49 -0.31 0.00 0.00 175.10 176.40 1fa4 n PHE 16 N 3.21 1.24 -3.53 2.82 3.01 -1.26 -2.22 117.46 120.74 1fa4 n PHE 16 Ca -0.15 0.44 -0.22 0.00 1.01 0.00 0.00 57.45 58.54 1fa4 n PHE 16 Cb 0.58 -2.20 -0.14 0.00 -0.01 0.00 0.00 39.48 37.71 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 -2.84 0.16 0.94 -1.08 0.41 -1.22 -3.44 118.70 111.62 1fa4 s GLU 17 Ca 0.76 0.03 -0.15 0.00 -0.41 0.00 0.00 54.97 55.20 1fa4 s GLU 17 Cb -0.42 -1.37 0.17 0.00 -1.78 0.00 0.00 34.13 30.72 1fa4 s GLU 17 CO 0.47 -0.72 1.23 -1.25 -0.49 0.00 0.00 175.26 174.50 1fa4 s PRO 18 N 2.25 0.89 -0.05 0.39 0.04 -1.26 -2.97 135.00 134.29 1fa4 s PRO 18 Ca 0.06 -0.12 -0.21 0.00 0.04 0.00 0.00 61.00 60.77 1fa4 s PRO 18 Cb -0.16 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 1fa4 s PRO 18 CO -0.15 -2.29 0.86 0.00 0.04 0.00 0.00 177.00 175.47 1fa4 h ALA 19 N -1.56 -0.25 -2.79 8.56 0.00 -1.94 -3.44 119.26 117.84 1fa4 h ALA 19 Ca -0.46 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.58 1fa4 h ALA 19 Cb 1.28 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1fa4 h ALA 19 CO 0.49 -0.33 -0.49 0.15 0.00 0.00 0.00 179.25 179.07 1fa4 s LYS 20 N -3.45 3.53 -0.20 0.00 1.02 -1.26 -3.02 119.74 116.36 1fa4 s LYS 20 Ca -0.12 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1fa4 s LYS 20 Cb 0.01 -3.20 0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1fa4 s LYS 20 CO 0.46 0.69 -0.07 -1.17 -0.92 0.00 0.00 175.35 174.34 1fa4 s LEU 21 N -0.79 2.18 -0.86 3.17 2.96 -0.66 -4.99 118.68 119.70 1fa4 s LEU 21 Ca 0.14 -0.93 -0.24 0.00 -0.22 0.00 0.00 54.13 52.88 1fa4 s LEU 21 Cb -0.12 -1.12 0.06 0.00 0.50 0.00 0.00 46.19 45.51 1fa4 s LEU 21 CO 0.03 -0.19 1.28 -0.89 -1.32 0.00 0.00 176.35 175.26 1fa4 s THR 22 N 1.46 4.01 0.48 3.68 2.01 -1.26 -0.36 115.64 125.67 1fa4 s THR 22 Ca -0.02 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1fa4 s THR 22 Cb -0.17 -4.92 0.04 0.00 0.01 0.00 0.00 72.50 67.46 1fa4 s THR 22 CO -0.07 -1.79 0.66 0.27 -0.69 0.00 0.00 174.62 173.00 1fa4 s ILE 23 N 4.81 2.73 0.55 1.82 -4.36 -0.91 -4.91 121.20 120.92 1fa4 s ILE 23 Ca 0.37 -0.96 -0.00 0.00 -0.26 0.00 0.00 60.65 59.80 1fa4 s ILE 23 Cb -0.06 -2.77 0.03 0.00 1.25 0.00 0.00 42.46 40.91 1fa4 s ILE 23 CO 0.02 0.00 0.79 -0.54 0.24 0.00 0.00 174.94 175.45 1fa4 s LYS 24 N -4.49 2.61 -1.22 0.37 -0.14 -1.26 -4.04 119.74 111.57 1fa4 s LYS 24 Ca 0.57 -0.63 -0.20 0.00 -1.36 0.00 0.00 55.97 54.35 1fa4 s LYS 24 Cb -0.09 -2.45 0.03 0.00 -1.68 0.00 0.00 37.83 33.64 1fa4 s LYS 24 CO 0.35 -0.70 1.75 -1.25 -0.76 0.00 0.00 175.35 174.75 1fa4 s PRO 25 N -4.79 3.53 0.00 -1.68 0.04 -1.26 -2.84 135.00 127.99 1fa4 s PRO 25 Ca 0.56 -1.61 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1fa4 s PRO 25 Cb -0.10 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1fa4 s PRO 25 CO 0.39 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.14 1fa4 n GLY 26 N 5.76 0.22 3.75 0.56 0.00 -0.72 -4.36 105.19 110.39 1fa4 n GLY 26 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 1fa4 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fa4 s ASP 27 N -0.18 1.91 0.22 1.61 1.11 -1.13 -4.57 116.67 115.64 1fa4 s ASP 27 Ca 0.00 0.46 0.08 0.00 0.18 0.00 0.00 52.55 53.28 1fa4 s ASP 27 Cb 0.00 -0.62 -0.04 0.00 1.07 0.00 0.00 42.92 43.33 1fa4 s ASP 27 CO 0.00 -3.50 0.00 -0.89 1.18 0.00 0.00 175.17 171.97 1fa4 s THR 28 N -3.41 3.62 0.08 -1.27 2.01 -1.25 -2.36 115.64 113.06 1fa4 s THR 28 Ca 0.72 -1.64 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1fa4 s THR 28 Cb -0.07 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1fa4 s THR 28 CO 0.55 -0.23 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.41 1fa4 s VAL 29 N -1.99 1.14 -0.28 3.82 1.01 -1.18 -2.44 120.40 120.48 1fa4 s VAL 29 Ca 0.29 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1fa4 s VAL 29 Cb -0.08 -1.14 0.08 0.00 0.00 0.00 0.00 36.38 35.24 1fa4 s VAL 29 CO 0.19 -0.25 0.02 -1.61 0.00 0.00 0.00 175.10 173.45 1fa4 s GLU 30 N -1.88 1.25 -0.67 2.72 2.02 0.68 -3.13 118.70 119.68 1fa4 s GLU 30 Ca -0.00 -1.18 -0.07 0.00 0.02 0.00 0.00 54.97 53.74 1fa4 s GLU 30 Cb -0.09 -2.51 0.17 0.00 0.10 0.00 0.00 34.13 31.80 1fa4 s GLU 30 CO 0.02 -0.80 0.53 -0.06 0.02 0.00 0.00 175.26 174.98 1fa4 s PHE 31 N 1.38 3.53 0.35 1.61 0.40 -1.26 -0.03 117.98 123.96 1fa4 s PHE 31 Ca 0.03 -2.39 0.02 0.00 -0.60 0.00 0.00 56.93 53.99 1fa4 s PHE 31 Cb -0.18 -3.43 -0.02 0.00 0.51 0.00 0.00 43.02 39.90 1fa4 s PHE 31 CO -0.13 -0.91 0.54 -0.48 0.70 0.00 0.00 175.22 174.94 1fa4 s LEU 32 N 0.17 3.97 0.62 -0.37 2.34 -1.26 -4.35 118.68 119.80 1fa4 s LEU 32 Ca 0.16 0.25 -0.11 0.00 0.06 0.00 0.00 54.13 54.49 1fa4 s LEU 32 Cb -0.18 -3.12 -0.04 0.00 -0.56 0.00 0.00 46.19 42.30 1fa4 s LEU 32 CO -0.05 -0.38 1.02 0.54 -1.06 0.00 0.00 176.35 176.42 1fa4 s ASN 33 N -4.09 6.18 0.00 1.48 4.22 -1.26 -2.57 114.94 118.89 1fa4 s ASN 33 Ca 0.42 1.38 0.00 0.00 -2.14 0.00 0.00 52.86 52.51 1fa4 s ASN 33 Cb -0.10 -2.42 0.00 0.00 1.28 0.00 0.00 41.25 40.01 1fa4 s ASN 33 CO 0.35 -0.89 0.00 -3.20 -2.04 0.00 0.00 177.10 171.32 1fa4 n ASN 34 N -2.74 0.00 -1.77 3.54 5.15 -1.26 -2.72 115.26 115.47 1fa4 n ASN 34 Ca 0.06 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.00 1fa4 n ASN 34 Cb 0.54 -0.16 0.02 0.00 -0.53 0.00 0.00 39.78 39.65 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 -1.83 0.61 -2.87 1.20 2.85 -1.26 -4.49 118.16 112.38 1fa4 n LYS 35 Ca 0.00 -1.28 -0.12 0.00 -1.05 0.00 0.00 58.31 55.86 1fa4 n LYS 35 Cb 0.00 0.33 0.03 0.00 -0.65 0.00 0.00 35.03 34.75 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 -0.59 -0.13 -1.81 0.58 0.31 -1.26 -5.14 118.33 110.29 1fa4 n VAL 36 Ca -0.20 -2.32 -0.30 0.00 -0.01 0.00 0.00 64.34 61.52 1fa4 n VAL 36 Cb 0.80 0.74 0.17 0.00 -0.91 0.00 0.00 33.84 34.64 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 -0.18 0.71 0.43 5.55 0.04 -1.26 -4.74 135.00 135.55 1fa4 s PRO 37 Ca 0.30 -0.24 -0.07 0.00 0.04 0.00 0.00 61.00 61.04 1fa4 s PRO 37 Cb 0.26 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.92 1fa4 s PRO 37 CO -0.13 -2.40 0.75 -1.25 0.04 0.00 0.00 177.00 174.01 1fa4 s PRO 38 N -5.74 3.63 -0.20 0.56 0.04 -1.26 -5.11 135.00 126.92 1fa4 s PRO 38 Ca 0.71 0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1fa4 s PRO 38 Cb -0.06 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.08 1fa4 s PRO 38 CO 0.53 -0.09 -0.16 -1.01 0.04 0.00 0.00 177.00 176.30 1fa4 s HIS 39 N -2.53 2.87 -0.23 0.56 3.76 -1.21 -4.75 115.29 113.75 1fa4 s HIS 39 Ca 0.48 -1.60 -0.10 0.00 -0.15 0.00 0.00 55.06 53.69 1fa4 s HIS 39 Cb -0.10 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 1fa4 s HIS 39 CO 0.38 -0.77 0.15 1.21 -0.85 0.00 0.00 174.74 174.86 1fa4 s ASN 40 N 1.30 6.09 -0.17 1.40 3.84 -1.26 -2.63 114.94 123.52 1fa4 s ASN 40 Ca 0.03 0.12 -0.06 0.00 0.21 0.00 0.00 52.86 53.17 1fa4 s ASN 40 Cb -0.14 -2.09 -0.04 0.00 -0.55 0.00 0.00 41.25 38.43 1fa4 s ASN 40 CO -0.10 0.09 0.04 -0.69 -2.79 0.00 0.00 177.10 173.65 1fa4 s VAL 41 N 0.92 4.59 0.29 -5.21 1.01 -1.26 -3.51 120.40 117.23 1fa4 s VAL 41 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1fa4 s VAL 41 Cb -0.13 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1fa4 s VAL 41 CO 0.03 0.49 0.53 0.68 0.00 0.00 0.00 175.10 176.83 1fa4 s VAL 42 N 0.21 0.00 -0.24 2.92 -7.23 -1.25 -3.93 120.40 110.87 1fa4 s VAL 42 Ca 0.03 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1fa4 s VAL 42 Cb -0.13 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.51 1fa4 s VAL 42 CO 0.01 0.00 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.38 1fa4 s PHE 43 N -3.60 2.58 0.09 2.82 0.40 -1.26 -3.64 117.98 115.37 1fa4 s PHE 43 Ca 0.22 -1.89 -0.36 0.00 -0.60 0.00 0.00 56.93 54.30 1fa4 s PHE 43 Cb -0.02 -1.67 -0.17 0.00 0.51 0.00 0.00 43.02 41.68 1fa4 s PHE 43 CO 0.12 -0.80 1.26 -3.47 0.70 0.00 0.00 175.22 173.03 1fa4 n ASP 44 N 4.62 1.34 -1.07 1.36 -0.08 -1.17 -4.81 116.55 116.74 1fa4 n ASP 44 Ca -0.12 1.13 0.04 0.00 -1.51 0.00 0.00 54.79 54.32 1fa4 n ASP 44 Cb 0.44 -1.16 0.19 0.00 2.34 0.00 0.00 41.12 42.92 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 2.16 3.04 -0.04 -1.67 0.00 -1.26 -3.65 120.51 119.08 1fa4 n ALA 45 Ca 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1fa4 n ALA 45 Cb 0.19 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.34 1.98 -3.09 0.00 0.00 -1.26 -4.76 120.51 113.71 1fa4 n ALA 46 Ca 0.13 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.39 1fa4 n ALA 46 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.46 2.44 -4.49 0.00 4.77 -1.24 -5.08 117.00 112.94 1fa4 n LEU 47 Ca 0.00 -5.30 -0.24 0.00 -0.03 0.00 0.00 56.01 50.44 1fa4 n LEU 47 Cb 0.25 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1fa4 n LEU 47 CO 0.00 2.31 -0.40 0.54 -1.33 0.00 0.00 177.39 178.51 1fa4 s ASN 48 N -2.86 3.43 -0.05 -1.43 2.20 -1.26 -4.50 114.94 110.48 1fa4 s ASN 48 Ca 0.44 -1.15 -0.23 0.00 -0.94 0.00 0.00 52.86 50.97 1fa4 s ASN 48 Cb 0.31 -0.29 -0.26 0.00 -2.00 0.00 0.00 41.25 39.01 1fa4 s ASN 48 CO -0.11 -0.18 0.98 1.55 -2.94 0.00 0.00 177.10 176.40 1fa4 h PRO 49 N 2.16 0.25 -0.65 3.55 0.13 -1.88 -3.35 132.00 132.20 1fa4 h PRO 49 Ca -0.41 -0.32 -0.45 0.00 -0.87 0.00 0.00 66.00 63.95 1fa4 h PRO 49 Cb 1.25 0.10 -0.31 0.00 0.13 0.00 0.00 31.00 32.17 1fa4 h PRO 49 CO 0.67 1.07 -0.41 0.00 -0.23 0.00 0.00 178.00 179.10 1fa4 n ALA 50 N -2.60 4.98 -3.97 -0.56 0.00 -1.26 -4.95 120.51 112.15 1fa4 n ALA 50 Ca -0.11 -3.59 -0.28 0.00 0.00 0.00 0.00 53.44 49.46 1fa4 n ALA 50 Cb 0.63 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.85 -0.90 -3.32 0.00 2.85 -1.26 -4.83 118.16 109.85 1fa4 n LYS 51 Ca 0.43 0.08 -0.47 0.00 -1.05 0.00 0.00 58.31 57.30 1fa4 n LYS 51 Cb 0.90 -3.16 -0.02 0.00 -0.65 0.00 0.00 35.03 32.10 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 -3.76 6.78 0.47 -5.58 0.01 -1.26 -4.84 113.70 105.51 1fa4 s SER 52 Ca 0.19 -2.70 0.27 0.00 1.31 0.00 0.00 55.95 55.02 1fa4 s SER 52 Cb -0.11 -2.21 0.80 0.00 0.21 0.00 0.00 66.02 64.70 1fa4 s SER 52 CO 0.82 -0.58 1.77 0.00 0.41 0.00 0.00 173.24 175.66 1fa4 h ALA 53 N 7.77 1.00 -0.22 1.44 0.00 -1.90 -3.08 119.26 124.28 1fa4 h ALA 53 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1fa4 h ALA 53 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1fa4 h ALA 53 CO 0.76 0.00 0.24 -0.44 0.00 0.00 0.00 179.25 179.82 1fa4 h ASP 54 N 0.00 0.00 1.16 0.00 3.32 -2.00 0.26 116.42 119.17 1fa4 h ASP 54 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1fa4 h ASP 54 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1fa4 h ASP 54 CO 0.00 0.00 -0.43 0.17 -1.72 0.00 0.00 179.24 177.26 1fa4 h LEU 55 N 0.00 0.00 0.12 1.55 8.10 -1.95 -3.31 115.31 119.82 1fa4 h LEU 55 Ca 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.09 1fa4 h LEU 55 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1fa4 h LEU 55 CO -0.00 0.43 -0.06 0.00 -4.11 0.00 0.00 178.44 174.70 1fa4 h ALA 56 N 1.57 -0.16 -1.02 0.17 0.00 -0.67 -2.85 119.26 116.31 1fa4 h ALA 56 Ca -0.00 -0.25 0.30 0.00 0.00 0.00 0.00 54.91 54.95 1fa4 h ALA 56 Cb 1.12 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1fa4 h ALA 56 CO 0.06 -0.24 1.05 0.87 0.00 0.00 0.00 179.25 180.98 1fa4 h LYS 57 N -0.87 0.00 -0.30 0.00 1.79 -1.60 2.12 116.57 117.70 1fa4 h LYS 57 Ca -0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1fa4 h LYS 57 Cb 0.55 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1fa4 h LYS 57 CO 0.03 0.00 0.01 0.43 -1.08 0.00 0.00 179.45 178.83 1fa4 n SER 58 N -3.49 3.63 0.00 0.86 7.64 -1.18 -4.55 113.62 116.52 1fa4 n SER 58 Ca 0.22 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1fa4 n SER 58 Cb 1.37 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 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 -0.64 1.22 -4.76 -3.43 7.94 0.70 -4.92 117.00 113.11 1fa4 n LEU 59 Ca 0.25 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.76 1fa4 n LEU 59 Cb 0.95 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.85 1fa4 n LEU 59 CO 0.18 0.20 0.71 -0.94 -1.11 0.00 0.00 177.39 176.42 1fa4 s SER 60 N -3.15 7.33 -0.08 1.96 1.04 -0.47 -4.88 113.70 115.44 1fa4 s SER 60 Ca 0.00 2.03 0.21 0.00 0.48 0.00 0.00 55.95 58.67 1fa4 s SER 60 Cb 0.00 -2.60 -0.31 0.00 0.10 0.00 0.00 66.02 63.21 1fa4 s SER 60 CO 0.00 -0.08 0.36 0.00 0.98 0.00 0.00 173.24 174.50 1fa4 n HIS 61 N 0.95 0.01 0.00 5.02 1.44 -1.25 -4.96 115.22 116.42 1fa4 n HIS 61 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1fa4 n HIS 61 Cb 0.47 -0.65 0.00 0.00 0.12 0.00 0.00 29.99 29.93 1fa4 n HIS 61 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1fa4 n LYS 62 N -2.41 0.00 -1.61 -1.40 4.76 -1.26 -4.87 118.16 111.37 1fa4 n LYS 62 Ca -0.13 0.00 -0.56 0.00 -2.87 0.00 0.00 58.31 54.75 1fa4 n LYS 62 Cb 0.75 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.87 1fa4 n LYS 62 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1fa4 n GLN 63 N 0.00 0.77 -1.03 1.97 3.00 -1.26 -4.87 117.38 115.96 1fa4 n GLN 63 Ca 0.00 0.28 -0.28 0.00 -0.01 0.00 0.00 57.00 56.98 1fa4 n GLN 63 Cb 0.00 -1.88 0.20 0.00 0.00 0.00 0.00 30.24 28.56 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1fa4 s LEU 64 N 1.18 1.28 -0.38 1.08 1.02 -1.26 -4.79 118.68 116.81 1fa4 s LEU 64 Ca 0.91 1.19 -0.00 0.00 0.02 0.00 0.00 54.13 56.24 1fa4 s LEU 64 Cb -1.10 -3.26 0.10 0.00 0.02 0.00 0.00 46.19 41.95 1fa4 s LEU 64 CO 0.56 -3.49 0.14 -0.76 0.02 0.00 0.00 176.35 172.82 1fa4 s LEU 65 N -6.69 5.00 0.00 1.79 1.43 -1.08 -4.91 118.68 114.23 1fa4 s LEU 65 Ca 0.66 -2.04 0.24 0.00 -1.03 0.00 0.00 54.13 51.96 1fa4 s LEU 65 Cb -0.19 -1.75 0.48 0.00 0.03 0.00 0.00 46.19 44.76 1fa4 s LEU 65 CO 0.59 -0.47 1.42 0.23 0.23 0.00 0.00 176.35 178.35 1fa4 n MET 66 N 4.47 2.23 -2.74 1.70 2.81 -1.26 -3.33 117.12 120.99 1fa4 n MET 66 Ca -0.01 -1.82 -0.40 0.00 -1.81 0.00 0.00 57.70 53.66 1fa4 n MET 66 Cb 0.42 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.72 7.63 -1.04 7.83 0.15 -1.26 -4.96 113.70 120.34 1fa4 s SER 67 Ca 0.34 1.95 -0.23 0.00 0.70 0.00 0.00 55.95 58.72 1fa4 s SER 67 Cb 0.21 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1fa4 s SER 67 CO 0.30 0.14 1.55 -2.16 1.20 0.00 0.00 173.24 174.27 1fa4 s PRO 68 N -1.13 3.49 0.00 5.44 0.04 -1.26 -3.73 135.00 137.86 1fa4 s PRO 68 Ca 0.41 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1fa4 s PRO 68 Cb -0.26 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 28.94 1fa4 s PRO 68 CO 0.32 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1fa4 n GLY 69 N 6.71 0.52 2.92 0.56 0.00 -1.10 -4.98 105.19 109.81 1fa4 n GLY 69 Ca 0.36 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.04 0.28 0.00 1.61 0.74 -1.24 -4.87 119.66 114.14 1fa4 s GLN 70 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.39 1fa4 s GLN 70 Cb 0.00 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1fa4 s GLN 70 CO 0.00 -0.42 0.00 -1.13 -0.55 0.00 0.00 175.29 173.19 1fa4 n SER 71 N 4.15 0.00 -4.12 6.67 3.41 -1.26 -4.41 113.62 118.05 1fa4 n SER 71 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1fa4 n SER 71 Cb 0.61 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 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 4.70 1.72 -0.82 6.66 -1.32 -1.26 -5.00 115.64 120.31 1fa4 s THR 72 Ca 0.00 -0.80 -0.26 0.00 -1.21 0.00 0.00 61.69 59.42 1fa4 s THR 72 Cb 0.00 -1.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1fa4 s THR 72 CO 0.00 0.48 1.38 -0.94 -2.21 0.00 0.00 174.62 173.33 1fa4 s SER 73 N 0.68 6.18 -0.26 8.08 1.04 -1.26 -4.53 113.70 123.63 1fa4 s SER 73 Ca -0.12 -0.70 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 1fa4 s SER 73 Cb -0.16 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 1fa4 s SER 73 CO 0.03 -1.80 1.61 -0.89 0.98 0.00 0.00 173.24 173.17 1fa4 s THR 74 N 5.82 3.71 -1.05 2.02 2.01 -1.18 -4.82 115.64 122.15 1fa4 s THR 74 Ca 0.41 0.78 -0.22 0.00 0.31 0.00 0.00 61.69 62.96 1fa4 s THR 74 Cb -0.06 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1fa4 s THR 74 CO 0.08 -0.37 1.52 -0.89 -0.69 0.00 0.00 174.62 174.27 1fa4 s THR 75 N 5.45 3.91 0.99 -0.82 2.01 -1.26 -3.10 115.64 122.81 1fa4 s THR 75 Ca 0.71 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 1fa4 s THR 75 Cb -0.23 -5.01 -0.10 0.00 0.01 0.00 0.00 72.50 67.17 1fa4 s THR 75 CO 0.30 -1.88 -0.53 0.49 -0.69 0.00 0.00 174.62 172.31 1fa4 n PHE 76 N 9.21 -4.17 -2.55 4.92 3.01 -0.99 -4.88 117.46 122.01 1fa4 n PHE 76 Ca 0.35 0.05 -0.34 0.00 1.01 0.00 0.00 57.45 58.53 1fa4 n PHE 76 Cb 0.50 -1.52 -0.04 0.00 -0.01 0.00 0.00 39.48 38.42 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 -2.41 3.85 0.07 -1.08 0.04 -1.26 -4.54 135.00 129.68 1fa4 s PRO 77 Ca 0.44 1.27 0.16 0.00 0.04 0.00 0.00 61.00 62.92 1fa4 s PRO 77 Cb -0.18 -2.11 0.70 0.00 0.04 0.00 0.00 34.50 32.95 1fa4 s PRO 77 CO 0.79 -0.38 1.51 0.00 0.04 0.00 0.00 177.00 178.96 1fa4 n ALA 78 N -1.03 1.63 -0.69 8.56 0.00 -1.26 -1.58 120.51 126.14 1fa4 n ALA 78 Ca 0.09 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1fa4 n ALA 78 Cb 0.53 -1.27 0.37 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.70 4.96 -4.18 0.00 9.92 -1.26 -4.47 116.55 119.82 1fa4 n ASP 79 Ca 0.03 -2.56 -0.59 0.00 -0.53 0.00 0.00 54.79 51.14 1fa4 n ASP 79 Cb 0.18 -0.60 -0.12 0.00 -0.64 0.00 0.00 41.12 39.94 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 1.00 0.22 -2.42 2.24 0.00 -0.61 -4.80 120.51 116.13 1fa4 n ALA 80 Ca 0.26 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 1fa4 n ALA 80 Cb 0.96 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 5.93 4.26 0.17 0.00 0.04 -1.26 -4.69 135.00 139.46 1fa4 s PRO 81 Ca 1.18 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 63.59 1fa4 s PRO 81 Cb -1.47 -3.72 -0.17 0.00 0.04 0.00 0.00 34.50 29.19 1fa4 s PRO 81 CO 0.65 -0.65 0.85 0.00 0.04 0.00 0.00 177.00 177.89 1fa4 n ALA 82 N 6.26 -2.08 0.00 8.56 0.00 -1.26 -4.84 120.51 127.16 1fa4 n ALA 82 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1fa4 n ALA 82 Cb 0.45 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.79 -1.13 3.08 0.00 0.00 -1.13 -4.70 105.19 103.09 1fa4 n GLY 83 Ca 0.16 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.54 2.57 0.45 1.61 2.02 -1.26 -3.47 118.70 119.09 1fa4 s GLU 84 Ca 0.00 -1.02 0.01 0.00 0.02 0.00 0.00 54.97 53.98 1fa4 s GLU 84 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1fa4 s GLU 84 CO 0.00 -0.37 0.67 0.71 0.02 0.00 0.00 175.26 176.28 1fa4 s TYR 85 N 1.24 3.16 -0.31 1.61 1.51 -0.57 -4.61 117.35 119.38 1fa4 s TYR 85 Ca -0.01 0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 56.20 1fa4 s TYR 85 Cb -0.16 -2.34 0.13 0.00 -0.11 0.00 0.00 41.96 39.47 1fa4 s TYR 85 CO -0.09 -0.40 0.25 0.99 -1.11 0.00 0.00 175.55 175.19 1fa4 s THR 86 N -2.55 -0.24 0.20 -0.71 2.01 -1.26 -3.24 115.64 109.85 1fa4 s THR 86 Ca 0.49 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1fa4 s THR 86 Cb -0.10 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1fa4 s THR 86 CO 0.37 -0.61 0.27 0.72 -0.69 0.00 0.00 174.62 174.68 1fa4 s PHE 87 N 2.04 3.35 0.00 4.92 -0.71 -0.33 -3.03 117.98 124.22 1fa4 s PHE 87 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 1fa4 s PHE 87 Cb -0.16 -1.56 0.00 0.00 -1.21 0.00 0.00 43.02 40.10 1fa4 s PHE 87 CO -0.27 0.49 0.00 2.48 -1.34 0.00 0.00 175.22 176.58 1fa4 n TYR 88 N -0.96 0.00 -4.24 3.49 4.11 -1.24 0.46 117.16 118.78 1fa4 n TYR 88 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.68 1fa4 n TYR 88 Cb 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.80 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 2.77 0.18 0.01 0.00 4.81 -1.93 -3.40 114.58 117.02 1fa4 h GLU 90 Ca -0.36 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1fa4 h GLU 90 Cb 1.19 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1fa4 h GLU 90 CO 0.64 1.02 -0.01 -1.00 -0.73 0.00 0.00 179.01 178.93 1fa4 h PRO 91 N -0.56 -0.02 -5.20 0.92 0.13 -1.95 -3.41 132.00 121.92 1fa4 h PRO 91 Ca -0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1fa4 h PRO 91 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1fa4 h PRO 91 CO 0.07 -0.01 0.44 0.72 -0.23 0.00 0.00 178.00 178.98 1fa4 n HIS 92 N -2.97 0.82 -2.20 1.56 8.25 -1.26 -4.55 115.22 114.87 1fa4 n HIS 92 Ca -0.00 -0.04 0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1fa4 n HIS 92 Cb 0.01 -2.10 0.09 0.00 1.12 0.00 0.00 29.99 29.10 1fa4 n HIS 92 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fa4 n ARG 93 N 7.79 1.22 -0.34 -0.41 1.74 -1.26 -4.23 116.66 121.17 1fa4 n ARG 93 Ca 0.46 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 1fa4 n ARG 93 Cb 0.39 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fa4 n GLY 94 N -0.34 0.19 2.43 -0.13 0.00 -1.26 -4.90 105.19 101.17 1fa4 n GLY 94 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 2.66 -3.73 4.61 0.00 -1.26 -4.99 120.51 117.80 1fa4 n ALA 95 Ca 0.00 -2.71 -0.25 0.00 0.00 0.00 0.00 53.44 50.48 1fa4 n ALA 95 Cb 0.57 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.34 -0.54 2.73 0.00 0.00 -1.26 -4.49 105.19 101.29 1fa4 n GLY 96 Ca 0.09 0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.21 4.48 -3.60 1.61 2.00 -1.26 -4.24 117.12 111.90 1fa4 n MET 97 Ca -0.23 -4.35 -0.29 0.00 0.00 0.00 0.00 57.70 52.83 1fa4 n MET 97 Cb 0.65 -2.39 -0.14 0.00 0.00 0.00 0.00 33.22 31.34 1fa4 n MET 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1fa4 s VAL 98 N -4.60 0.56 1.21 2.03 0.11 -1.26 -3.15 120.40 115.31 1fa4 s VAL 98 Ca 0.44 -1.61 -0.20 0.00 -2.93 0.00 0.00 61.98 57.68 1fa4 s VAL 98 Cb 0.27 -1.42 0.29 0.00 -1.53 0.00 0.00 36.38 33.99 1fa4 s VAL 98 CO -0.21 -0.83 1.14 -0.83 -3.33 0.00 0.00 175.10 171.03 1fa4 s GLY 99 N 1.28 1.61 -0.21 6.54 0.00 0.17 -4.72 107.32 111.99 1fa4 s GLY 99 Ca 0.14 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1fa4 s GLY 99 CO -0.14 -0.16 0.52 0.54 0.00 0.00 0.00 173.10 173.86 1fa4 s LYS 100 N -5.54 0.53 -0.10 2.90 1.02 -1.17 -1.19 119.74 116.19 1fa4 s LYS 100 Ca 0.72 0.93 -0.11 0.00 0.02 0.00 0.00 55.97 57.53 1fa4 s LYS 100 Cb -0.07 0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 1fa4 s LYS 100 CO 0.55 -0.15 0.26 0.42 -0.92 0.00 0.00 175.35 175.52 1fa4 s ILE 101 N 1.35 5.31 -0.33 2.17 1.01 -1.20 -1.65 121.20 127.86 1fa4 s ILE 101 Ca -0.09 0.49 0.03 0.00 0.00 0.00 0.00 60.65 61.08 1fa4 s ILE 101 Cb -0.07 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 38.94 1fa4 s ILE 101 CO -0.14 0.53 0.05 -0.89 0.00 0.00 0.00 174.94 174.50 1fa4 s THR 102 N -0.55 1.99 -0.24 2.92 2.01 0.52 -1.51 115.64 120.78 1fa4 s THR 102 Ca 0.17 -2.12 -0.10 0.00 0.31 0.00 0.00 61.69 59.95 1fa4 s THR 102 Cb -0.14 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1fa4 s THR 102 CO 0.06 -0.58 0.16 -0.69 -0.69 0.00 0.00 174.62 172.88 1fa4 s VAL 103 N 1.05 5.36 0.00 3.82 1.01 -1.23 -2.15 120.40 128.28 1fa4 s VAL 103 Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1fa4 s VAL 103 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1fa4 s VAL 103 CO -0.11 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1fa4 n ALA 104 N 4.21 0.69 -0.21 5.51 0.00 -1.26 -2.85 120.51 126.59 1fa4 n ALA 104 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.20 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