#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fmb s THR 2 N 0.00 2.68 -0.22 3.34 2.01 -1.26 -5.10 115.64 117.09 1fmb s THR 2 Ca 0.00 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1fmb s THR 2 Cb 0.00 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1fmb s THR 2 CO 0.00 0.55 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.14 1fmb s TYR 3 N 0.12 2.97 -2.46 4.92 1.51 -1.26 -4.97 117.35 118.18 1fmb s TYR 3 Ca -0.09 -0.83 0.26 0.00 -1.01 0.00 0.00 57.07 55.40 1fmb s TYR 3 Cb -0.15 -2.10 0.95 0.00 -0.11 0.00 0.00 41.96 40.54 1fmb s TYR 3 CO 0.05 -0.49 1.68 0.27 -1.11 0.00 0.00 175.55 175.96 1fmb n ASN 4 N 4.70 1.61 -0.48 2.29 0.23 -1.26 -4.96 115.26 117.38 1fmb n ASN 4 Ca -0.18 -1.57 -0.06 0.00 -0.53 0.00 0.00 54.58 52.24 1fmb n ASN 4 Cb 0.51 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 1fmb n ASN 4 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1fmb n LEU 5 N 0.26 -0.16 0.19 -4.53 4.77 -1.26 -4.86 117.00 111.41 1fmb n LEU 5 Ca 0.18 0.16 0.03 0.00 -0.03 0.00 0.00 56.01 56.35 1fmb n LEU 5 Cb 0.36 -1.81 0.37 0.00 -2.33 0.00 0.00 43.42 40.01 1fmb n LEU 5 CO 0.16 -0.63 0.74 -0.33 -1.33 0.00 0.00 177.39 176.00 1fmb h GLU 6 N 0.20 0.00 -5.35 3.23 5.08 -2.02 -3.44 114.58 112.27 1fmb h GLU 6 Ca -0.13 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.77 1fmb h GLU 6 Cb 0.71 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 1fmb h GLU 6 CO 0.19 0.35 -0.66 0.15 -1.00 0.00 0.00 179.01 178.04 1fmb s LYS 7 N -4.22 1.50 0.40 2.33 1.02 -1.26 -5.10 119.74 114.42 1fmb s LYS 7 Ca -0.03 -1.77 -0.26 0.00 0.02 0.00 0.00 55.97 53.93 1fmb s LYS 7 Cb 0.14 -0.97 -0.09 0.00 -0.52 0.00 0.00 37.83 36.39 1fmb s LYS 7 CO 0.72 -0.03 1.33 1.03 -0.92 0.00 0.00 175.35 177.49 1fmb s ARG 8 N -3.78 3.97 -0.75 1.68 0.52 -1.26 -4.87 118.95 114.45 1fmb s ARG 8 Ca 0.30 2.23 -0.26 0.00 -0.52 0.00 0.00 55.73 57.48 1fmb s ARG 8 Cb 0.05 -2.78 0.04 0.00 0.52 0.00 0.00 34.95 32.78 1fmb s ARG 8 CO 0.11 -0.52 1.23 -1.25 0.02 0.00 0.00 175.30 174.90 1fmb s PRO 9 N -2.23 3.21 0.16 3.54 0.04 -1.26 -4.98 135.00 133.49 1fmb s PRO 9 Ca 0.57 -0.44 0.10 0.00 0.04 0.00 0.00 61.00 61.27 1fmb s PRO 9 Cb -0.40 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 29.81 1fmb s PRO 9 CO 0.51 -2.09 -0.18 0.95 0.04 0.00 0.00 177.00 176.23 1fmb s THR 10 N 5.33 2.72 0.14 1.26 -4.23 -1.26 -0.89 115.64 118.71 1fmb s THR 10 Ca 0.34 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 58.96 1fmb s THR 10 Cb -0.09 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1fmb s THR 10 CO 0.12 -0.04 0.35 0.28 -0.54 0.00 0.00 174.62 174.79 1fmb s THR 11 N -1.48 0.08 -0.15 3.99 -1.32 -0.75 -4.96 115.64 111.05 1fmb s THR 11 Ca 0.21 -0.93 -0.15 0.00 -1.21 0.00 0.00 61.69 59.61 1fmb s THR 11 Cb -0.09 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1fmb s THR 11 CO 0.11 -0.35 0.36 -0.63 -2.21 0.00 0.00 174.62 171.90 1fmb s ILE 12 N -3.87 5.27 0.16 5.08 1.01 -1.26 -0.67 121.20 126.91 1fmb s ILE 12 Ca 0.08 0.68 0.07 0.00 0.00 0.00 0.00 60.65 61.48 1fmb s ILE 12 Cb 0.02 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1fmb s ILE 12 CO -0.07 0.36 -0.15 0.68 0.00 0.00 0.00 174.94 175.76 1fmb s VAL 13 N 0.54 1.57 -0.25 2.92 -7.23 -0.65 -4.93 120.40 112.38 1fmb s VAL 13 Ca 0.20 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 1fmb s VAL 13 Cb -0.14 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1fmb s VAL 13 CO 0.06 -0.46 0.21 -0.76 -0.31 0.00 0.00 175.10 173.84 1fmb s LEU 14 N -2.80 4.09 -0.18 1.32 1.43 -0.89 -0.88 118.68 120.76 1fmb s LEU 14 Ca 0.15 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1fmb s LEU 14 Cb -0.03 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1fmb s LEU 14 CO 0.05 -0.00 -0.10 -0.63 0.23 0.00 0.00 176.35 175.90 1fmb s ILE 15 N 1.34 3.10 -1.41 -0.59 1.01 -0.30 -1.31 121.20 123.05 1fmb s ILE 15 Ca 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1fmb s ILE 15 Cb -0.14 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1fmb s ILE 15 CO 0.07 0.48 0.35 0.59 0.00 0.00 0.00 174.94 176.43 1fmb n ASN 16 N 4.27 -0.66 -1.46 3.58 4.13 -0.09 -1.38 115.26 123.65 1fmb n ASN 16 Ca -0.18 -1.10 -0.18 0.00 1.68 0.00 0.00 54.58 54.79 1fmb n ASN 16 Cb 0.51 -2.58 -0.07 0.00 -1.54 0.00 0.00 39.78 36.10 1fmb n ASN 16 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1fmb n ASP 17 N -2.87 -5.23 -4.04 6.41 9.92 -1.26 -3.96 116.55 115.52 1fmb n ASP 17 Ca -0.28 0.43 -0.29 0.00 -0.53 0.00 0.00 54.79 54.11 1fmb n ASP 17 Cb 0.67 -4.35 -0.17 0.00 -0.64 0.00 0.00 41.12 36.64 1fmb n ASP 17 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1fmb s THR 18 N -2.70 1.55 -0.01 -3.53 2.01 -0.48 -4.85 115.64 107.64 1fmb s THR 18 Ca 0.00 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 1fmb s THR 18 Cb 0.00 -1.44 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 1fmb s THR 18 CO 0.00 0.45 1.52 -2.16 -0.69 0.00 0.00 174.62 173.74 1fmb s PRO 19 N 1.27 4.23 0.03 4.92 0.04 -1.26 -1.15 135.00 143.08 1fmb s PRO 19 Ca -0.00 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1fmb s PRO 19 Cb -0.14 -3.71 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 1fmb s PRO 19 CO -0.07 -0.69 -0.10 -0.51 0.04 0.00 0.00 177.00 175.67 1fmb s LEU 20 N 2.99 2.16 -0.16 -3.56 1.43 -0.06 -4.97 118.68 116.50 1fmb s LEU 20 Ca 0.68 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 1fmb s LEU 20 Cb -0.33 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1fmb s LEU 20 CO 0.28 -0.04 0.61 0.21 0.23 0.00 0.00 176.35 177.63 1fmb s ASN 21 N -1.04 6.73 0.13 2.29 2.47 -1.26 -1.63 114.94 122.63 1fmb s ASN 21 Ca -0.02 0.88 0.08 0.00 0.42 0.00 0.00 52.86 54.22 1fmb s ASN 21 Cb -0.07 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 37.35 1fmb s ASN 21 CO 0.01 -0.19 -0.18 0.68 -3.72 0.00 0.00 177.10 173.70 1fmb s VAL 22 N 1.46 1.64 -0.09 -5.21 -7.23 0.15 -4.62 120.40 106.50 1fmb s VAL 22 Ca 0.29 -1.74 -0.15 0.00 -1.81 0.00 0.00 61.98 58.57 1fmb s VAL 22 Cb -0.16 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1fmb s VAL 22 CO 0.12 -0.27 0.38 -0.22 -0.31 0.00 0.00 175.10 174.80 1fmb s LEU 23 N -2.38 4.34 -0.46 1.32 2.96 -0.23 -1.81 118.68 122.43 1fmb s LEU 23 Ca 0.11 0.76 -0.20 0.00 -0.22 0.00 0.00 54.13 54.58 1fmb s LEU 23 Cb -0.07 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.12 1fmb s LEU 23 CO 0.05 0.16 0.60 -0.76 -1.32 0.00 0.00 176.35 175.08 1fmb s LEU 24 N -0.08 4.71 -0.31 -0.68 1.43 -0.07 -1.41 118.68 122.26 1fmb s LEU 24 Ca 0.22 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1fmb s LEU 24 Cb -0.15 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.59 1fmb s LEU 24 CO 0.09 -0.78 0.01 -0.62 0.23 0.00 0.00 176.35 175.28 1fmb s ASP 25 N 2.17 4.58 0.42 2.29 2.15 -0.36 -4.76 116.67 123.16 1fmb s ASP 25 Ca 0.18 -1.88 0.29 0.00 0.43 0.00 0.00 52.55 51.57 1fmb s ASP 25 Cb -0.16 -1.53 1.24 0.00 -0.30 0.00 0.00 42.92 42.17 1fmb s ASP 25 CO 0.16 -0.33 1.87 0.71 -0.17 0.00 0.00 175.17 177.41 1fmb h THR 26 N 6.64 0.00 -0.25 1.71 1.35 -1.95 -2.75 112.91 117.66 1fmb h THR 26 Ca -0.09 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1fmb h THR 26 Cb 1.03 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1fmb h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1fmb n GLY 27 N -0.06 0.32 3.35 5.82 0.00 -1.26 -4.83 105.19 108.52 1fmb n GLY 27 Ca 0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1fmb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fmb s ALA 28 N -1.67 2.86 0.29 4.61 0.00 -1.04 -4.98 121.76 121.84 1fmb s ALA 28 Ca 0.24 -1.11 0.25 0.00 0.00 0.00 0.00 51.96 51.33 1fmb s ALA 28 Cb 0.13 -1.71 1.15 0.00 0.00 0.00 0.00 23.12 22.68 1fmb s ALA 28 CO 0.18 -0.34 1.94 -0.44 0.00 0.00 0.00 175.76 177.10 1fmb h ASP 29 N 7.92 0.00 -5.28 0.00 3.32 -1.88 -1.02 116.42 119.47 1fmb h ASP 29 Ca -0.39 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1fmb h ASP 29 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1fmb h ASP 29 CO 0.60 0.20 -0.47 0.28 -1.72 0.00 0.00 179.24 178.12 1fmb s THR 30 N -3.94 0.11 0.10 0.35 -1.32 -1.26 -3.41 115.64 106.27 1fmb s THR 30 Ca -0.01 -1.55 -0.12 0.00 -1.21 0.00 0.00 61.69 58.80 1fmb s THR 30 Cb 0.12 -1.75 -0.06 0.00 -1.51 0.00 0.00 72.50 69.30 1fmb s THR 30 CO 0.62 -0.52 0.46 -0.44 -2.21 0.00 0.00 174.62 172.53 1fmb s SER 31 N -2.96 6.73 -0.03 8.08 0.01 -1.26 -3.89 113.70 120.38 1fmb s SER 31 Ca 0.15 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1fmb s SER 31 Cb 0.05 -2.22 0.03 0.00 0.21 0.00 0.00 66.02 64.09 1fmb s SER 31 CO -0.03 0.16 0.00 -0.69 0.41 0.00 0.00 173.24 173.09 1fmb s VAL 32 N -1.39 0.17 -0.06 3.43 1.01 -0.26 -2.27 120.40 121.04 1fmb s VAL 32 Ca 0.34 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1fmb s VAL 32 Cb -0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1fmb s VAL 32 CO 0.18 0.15 0.29 -0.22 0.00 0.00 0.00 175.10 175.49 1fmb s LEU 33 N 1.04 4.43 0.55 3.92 2.96 0.89 -0.99 118.68 131.47 1fmb s LEU 33 Ca -0.10 0.73 -0.19 0.00 -0.22 0.00 0.00 54.13 54.36 1fmb s LEU 33 Cb -0.13 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 1fmb s LEU 33 CO -0.02 0.35 1.08 0.42 -1.32 0.00 0.00 176.35 176.87 1fmb s THR 34 N -0.98 3.49 0.40 3.68 -4.23 -1.26 -1.26 115.64 115.48 1fmb s THR 34 Ca 0.20 0.86 0.06 0.00 -1.18 0.00 0.00 61.69 61.63 1fmb s THR 34 Cb -0.14 -3.34 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1fmb s THR 34 CO 0.09 -0.27 2.05 0.74 -0.54 0.00 0.00 174.62 176.69 1fmb h THR 35 N 1.06 1.11 -0.66 3.99 2.02 -1.74 -1.91 112.91 116.77 1fmb h THR 35 Ca -0.49 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1fmb h THR 35 Cb 1.24 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1fmb h THR 35 CO 0.57 0.11 0.20 0.00 0.37 0.00 0.00 175.52 176.78 1fmb h ALA 36 N 1.72 0.87 -0.45 6.16 0.00 -1.92 -1.29 119.26 124.35 1fmb h ALA 36 Ca 0.17 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1fmb h ALA 36 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1fmb h ALA 36 CO -0.04 0.54 -0.26 0.45 0.00 0.00 0.00 179.25 179.94 1fmb h HIS 37 N 0.96 1.12 -0.88 0.00 -0.00 -1.80 -2.90 115.15 111.66 1fmb h HIS 37 Ca 0.21 -0.29 0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1fmb h HIS 37 Cb 0.30 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 1fmb h HIS 37 CO 0.02 1.11 0.58 -0.92 -0.00 0.00 0.00 177.93 178.72 1fmb h TYR 38 N 0.82 1.10 0.00 2.45 3.20 -1.03 -1.57 116.97 121.94 1fmb h TYR 38 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1fmb h TYR 38 Cb 0.84 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1fmb h TYR 38 CO 0.05 0.70 0.00 -0.91 -1.64 0.00 0.00 178.16 176.36 1fmb h ASN 39 N 1.19 0.00 0.02 -2.11 -0.26 -1.11 -2.72 115.58 110.58 1fmb h ASN 39 Ca 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1fmb h ASN 39 Cb -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1fmb h ASN 39 CO -0.07 0.00 -0.62 0.54 -1.06 0.00 0.00 177.43 176.22 1fmb n ARG 40 N -2.82 0.78 -1.83 0.81 1.74 -0.63 -4.98 116.66 109.72 1fmb n ARG 40 Ca 0.01 -0.63 -0.39 0.00 -0.77 0.00 0.00 57.85 56.07 1fmb n ARG 40 Cb 0.27 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 1fmb n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1fmb s LEU 41 N -2.66 4.02 0.29 0.55 1.43 -0.95 -4.90 118.68 116.46 1fmb s LEU 41 Ca 0.15 2.82 0.04 0.00 -1.03 0.00 0.00 54.13 56.11 1fmb s LEU 41 Cb 0.18 -4.07 0.43 0.00 0.03 0.00 0.00 46.19 42.76 1fmb s LEU 41 CO 0.66 -1.28 1.72 0.11 0.23 0.00 0.00 176.35 177.79 1fmb h LYS 42 N 2.03 0.41 -4.56 1.70 1.57 -1.87 -3.42 116.57 112.43 1fmb h LYS 42 Ca -0.51 -0.16 -0.31 0.00 -1.87 0.00 0.00 60.65 57.80 1fmb h LYS 42 Cb 1.28 -0.02 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 1fmb h LYS 42 CO 0.60 0.67 -0.75 0.71 -0.57 0.00 0.00 179.45 180.11 1fmb s TYR 43 N -4.40 0.66 0.01 -1.35 2.02 -1.26 -5.13 117.35 107.91 1fmb s TYR 43 Ca -0.06 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1fmb s TYR 43 Cb 0.14 -0.40 -0.01 0.00 -0.40 0.00 0.00 41.96 41.28 1fmb s TYR 43 CO 0.78 -0.04 -0.07 1.03 -1.57 0.00 0.00 175.55 175.68 1fmb s ARG 44 N -1.03 0.55 0.00 -0.62 0.52 -1.26 -4.86 118.95 112.26 1fmb s ARG 44 Ca -0.05 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1fmb s ARG 44 Cb -0.07 -0.48 0.00 0.00 0.52 0.00 0.00 34.95 34.92 1fmb s ARG 44 CO 0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1fmb n GLY 45 N 2.42 1.62 3.61 -3.53 0.00 -1.26 -5.08 105.19 102.97 1fmb n GLY 45 Ca -0.16 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1fmb n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fmb s ARG 46 N -1.82 0.15 -0.18 1.61 1.81 -1.26 -4.83 118.95 114.44 1fmb s ARG 46 Ca 0.00 0.84 -0.02 0.00 -1.72 0.00 0.00 55.73 54.83 1fmb s ARG 46 Cb 0.00 -1.68 -0.01 0.00 -0.45 0.00 0.00 34.95 32.81 1fmb s ARG 46 CO 0.00 -3.00 -0.10 0.21 -0.68 0.00 0.00 175.30 171.73 1fmb s LYS 47 N -4.72 3.32 -0.15 3.54 2.20 -1.26 -4.15 119.74 118.52 1fmb s LYS 47 Ca 0.66 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1fmb s LYS 47 Cb -0.21 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1fmb s LYS 47 CO 0.60 -0.03 -0.04 0.71 -0.36 0.00 0.00 175.35 176.23 1fmb s TYR 48 N 0.99 3.01 0.46 4.03 2.02 0.35 -4.93 117.35 123.28 1fmb s TYR 48 Ca -0.01 -0.29 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 1fmb s TYR 48 Cb -0.15 -1.93 -0.08 0.00 -0.40 0.00 0.00 41.96 39.40 1fmb s TYR 48 CO -0.01 -0.02 1.38 -1.14 -1.57 0.00 0.00 175.55 174.19 1fmb s GLN 49 N 0.27 3.63 0.32 -0.62 2.00 -1.26 0.50 119.66 124.51 1fmb s GLN 49 Ca -0.04 2.31 0.01 0.00 -2.00 0.00 0.00 55.36 55.64 1fmb s GLN 49 Cb -0.14 -2.59 -0.01 0.00 0.80 0.00 0.00 33.01 31.08 1fmb s GLN 49 CO 0.03 -0.82 0.05 0.41 -0.50 0.00 0.00 175.29 174.46 1fmb n GLY 50 N 0.62 3.63 1.66 2.59 0.00 -0.87 -4.66 105.19 108.17 1fmb n GLY 50 Ca 0.06 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1fmb n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fmb n THR 51 N -0.77 2.24 -0.93 2.61 -2.24 -1.26 -4.62 114.28 109.31 1fmb n THR 51 Ca -0.10 -3.72 0.12 0.00 -2.27 0.00 0.00 64.05 58.09 1fmb n THR 51 Cb 0.44 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 1fmb n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fmb n GLY 52 N -0.77 -1.86 3.31 3.38 0.00 -1.26 -4.93 105.19 103.06 1fmb n GLY 52 Ca 0.32 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 1fmb n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fmb s ILE 53 N -2.05 1.63 0.03 -0.61 -4.36 -0.45 -4.88 121.20 110.51 1fmb s ILE 53 Ca 0.00 -2.02 0.09 0.00 -0.26 0.00 0.00 60.65 58.45 1fmb s ILE 53 Cb 0.00 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 1fmb s ILE 53 CO 0.00 -0.50 -0.25 -0.83 0.24 0.00 0.00 174.94 173.60 1fmb s GLY 54 N -2.96 1.41 0.00 6.27 0.00 -1.26 -0.89 107.32 109.89 1fmb s GLY 54 Ca 0.17 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1fmb s GLY 54 CO 0.05 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1fmb n GLY 55 N 1.88 3.93 3.71 0.20 0.00 -0.49 -5.00 105.19 109.42 1fmb n GLY 55 Ca -0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1fmb n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fmb s VAL 56 N -1.34 3.59 0.00 1.61 1.01 -1.26 -2.48 120.40 121.53 1fmb s VAL 56 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1fmb s VAL 56 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1fmb s VAL 56 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1fmb n GLY 57 N 3.47 2.31 0.00 4.51 0.00 -1.26 -4.97 105.19 109.26 1fmb n GLY 57 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1fmb n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fmb n GLY 58 N 0.00 0.69 3.82 -0.02 0.00 -1.03 -5.07 105.19 103.57 1fmb n GLY 58 Ca 0.00 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1fmb n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fmb s ASN 59 N -4.00 5.83 -0.00 1.61 0.01 -1.26 -1.39 114.94 115.73 1fmb s ASN 59 Ca 0.00 0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1fmb s ASN 59 Cb 0.00 -1.68 -0.01 0.00 0.41 0.00 0.00 41.25 39.97 1fmb s ASN 59 CO 0.00 0.22 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.05 1fmb s VAL 60 N -1.33 0.59 0.51 1.60 1.01 -0.07 -4.98 120.40 117.73 1fmb s VAL 60 Ca 0.28 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 1fmb s VAL 60 Cb -0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1fmb s VAL 60 CO 0.20 0.15 1.18 -1.61 0.00 0.00 0.00 175.10 175.01 1fmb s GLU 61 N -0.22 3.50 0.17 2.72 2.02 -1.26 -1.35 118.70 124.27 1fmb s GLU 61 Ca 0.03 1.78 0.01 0.00 0.02 0.00 0.00 54.97 56.80 1fmb s GLU 61 Cb -0.03 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1fmb s GLU 61 CO -0.00 -0.77 0.03 0.95 0.02 0.00 0.00 175.26 175.48 1fmb s THR 62 N -1.59 0.48 0.14 3.63 -4.23 -1.26 -4.66 115.64 108.14 1fmb s THR 62 Ca 0.68 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1fmb s THR 62 Cb -0.29 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1fmb s THR 62 CO 0.34 -0.44 -0.11 0.72 -0.54 0.00 0.00 174.62 174.59 1fmb s PHE 63 N -3.79 1.28 0.23 3.99 -0.12 -1.05 -2.04 117.98 116.47 1fmb s PHE 63 Ca 0.25 -0.68 0.07 0.00 -0.05 0.00 0.00 56.93 56.52 1fmb s PHE 63 Cb 0.07 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 1fmb s PHE 63 CO 0.04 0.10 0.10 -1.54 -0.05 0.00 0.00 175.22 173.87 1fmb s SER 64 N -2.88 5.14 -0.12 1.98 1.04 0.18 -0.03 113.70 119.01 1fmb s SER 64 Ca 0.13 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.03 1fmb s SER 64 Cb -0.00 -1.20 0.04 0.00 0.10 0.00 0.00 66.02 64.96 1fmb s SER 64 CO 0.01 0.01 0.45 0.28 0.98 0.00 0.00 173.24 174.98 1fmb s THR 65 N -2.04 0.01 0.17 2.02 -1.32 -0.36 -0.49 115.64 113.62 1fmb s THR 65 Ca 0.31 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 1fmb s THR 65 Cb -0.08 -0.68 -0.07 0.00 -1.51 0.00 0.00 72.50 70.16 1fmb s THR 65 CO 0.22 -0.06 1.05 -2.16 -2.21 0.00 0.00 174.62 171.46 1fmb s PRO 66 N -0.30 4.65 0.05 7.08 0.04 -1.26 -1.37 135.00 143.89 1fmb s PRO 66 Ca -0.05 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.60 1fmb s PRO 66 Cb -0.03 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1fmb s PRO 66 CO 0.03 0.15 0.00 0.14 0.04 0.00 0.00 177.00 177.36 1fmb s VAL 67 N -0.27 0.18 -0.17 -0.36 -7.23 0.38 -4.29 120.40 108.64 1fmb s VAL 67 Ca 0.48 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1fmb s VAL 67 Cb -0.27 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1fmb s VAL 67 CO 0.33 -0.83 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.25 1fmb s THR 68 N -3.31 2.59 -0.10 5.32 2.01 -1.26 -1.34 115.64 119.55 1fmb s THR 68 Ca 0.01 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1fmb s THR 68 Cb 0.03 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1fmb s THR 68 CO -0.08 0.51 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.62 1fmb s ILE 69 N 1.01 3.22 -0.11 1.82 1.01 0.15 -0.91 121.20 127.39 1fmb s ILE 69 Ca -0.02 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1fmb s ILE 69 Cb -0.15 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1fmb s ILE 69 CO -0.03 0.55 -0.18 -0.54 0.00 0.00 0.00 174.94 174.73 1fmb s LYS 70 N -0.07 2.52 -0.15 2.79 -0.14 -0.43 -0.09 119.74 124.17 1fmb s LYS 70 Ca -0.02 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.61 1fmb s LYS 70 Cb -0.14 -2.03 0.13 0.00 -1.68 0.00 0.00 37.83 34.11 1fmb s LYS 70 CO 0.04 0.02 1.00 0.21 -0.76 0.00 0.00 175.35 175.86 1fmb s LYS 71 N 0.73 0.59 -1.55 1.68 2.47 -1.14 -2.09 119.74 120.44 1fmb s LYS 71 Ca -0.11 0.11 -0.15 0.00 -1.56 0.00 0.00 55.97 54.26 1fmb s LYS 71 Cb -0.16 0.28 0.11 0.00 -1.46 0.00 0.00 37.83 36.60 1fmb s LYS 71 CO 0.02 -0.19 0.82 1.63 0.16 0.00 0.00 175.35 177.79 1fmb n LYS 72 N 0.66 -4.28 -1.25 4.03 5.02 -1.26 0.11 118.16 121.18 1fmb n LYS 72 Ca -0.10 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.59 1fmb n LYS 72 Cb 0.58 -5.31 -0.04 0.00 -0.02 0.00 0.00 35.03 30.24 1fmb n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fmb n GLY 73 N -1.48 0.97 3.97 0.72 0.00 -1.26 -4.96 105.19 103.14 1fmb n GLY 73 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1fmb n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fmb s ARG 74 N -2.78 3.44 -0.32 1.61 0.52 0.12 -5.09 118.95 116.44 1fmb s ARG 74 Ca 0.00 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1fmb s ARG 74 Cb 0.00 -2.89 0.10 0.00 0.52 0.00 0.00 34.95 32.68 1fmb s ARG 74 CO 0.00 0.43 0.08 -1.58 0.02 0.00 0.00 175.30 174.25 1fmb s HIS 75 N -1.98 2.36 -0.16 -0.53 2.46 -1.26 -2.87 115.29 113.31 1fmb s HIS 75 Ca 0.34 -2.13 -0.05 0.00 0.47 0.00 0.00 55.06 53.69 1fmb s HIS 75 Cb -0.09 -2.09 -0.03 0.00 -0.13 0.00 0.00 32.58 30.23 1fmb s HIS 75 CO 0.29 -0.90 0.02 0.42 -2.47 0.00 0.00 174.74 172.10 1fmb s ILE 76 N 1.39 4.39 -0.25 0.89 1.01 0.87 -4.93 121.20 124.57 1fmb s ILE 76 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1fmb s ILE 76 Cb -0.18 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.37 1fmb s ILE 76 CO -0.20 0.50 -0.03 -0.75 0.00 0.00 0.00 174.94 174.47 1fmb s LYS 77 N 0.15 3.03 0.00 2.79 2.47 -1.26 0.34 119.74 127.26 1fmb s LYS 77 Ca 0.02 -0.86 0.00 0.00 -1.56 0.00 0.00 55.97 53.57 1fmb s LYS 77 Cb -0.13 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 1fmb s LYS 77 CO 0.02 -0.36 0.00 -2.37 0.16 0.00 0.00 175.35 172.80 1fmb n THR 78 N 4.75 0.00 -4.47 3.43 5.66 -0.45 -5.00 114.28 118.19 1fmb n THR 78 Ca -0.16 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 1fmb n THR 78 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 1fmb n THR 78 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1fmb s ARG 79 N -1.93 2.41 0.05 1.09 0.52 -1.26 -0.47 118.95 119.37 1fmb s ARG 79 Ca 0.00 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.47 1fmb s ARG 79 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1fmb s ARG 79 CO 0.00 0.58 -0.18 -1.64 0.02 0.00 0.00 175.30 174.08 1fmb s MET 80 N -1.53 1.14 0.57 3.54 -1.94 -0.47 -4.93 119.30 115.70 1fmb s MET 80 Ca 0.17 -0.91 -0.13 0.00 -1.71 0.00 0.00 55.69 53.11 1fmb s MET 80 Cb -0.11 -1.24 -0.05 0.00 2.01 0.00 0.00 34.83 35.44 1fmb s MET 80 CO 0.08 0.31 1.00 -0.51 -0.01 0.00 0.00 175.02 175.89 1fmb s LEU 81 N -1.32 3.40 -0.09 -0.03 1.43 -0.96 -1.22 118.68 119.88 1fmb s LEU 81 Ca 0.05 1.45 0.03 0.00 -1.03 0.00 0.00 54.13 54.63 1fmb s LEU 81 Cb -0.09 -4.45 0.01 0.00 0.03 0.00 0.00 46.19 41.68 1fmb s LEU 81 CO 0.02 -0.75 -0.19 -0.69 0.23 0.00 0.00 176.35 174.97 1fmb s VAL 82 N -2.95 1.71 0.07 -1.59 1.01 0.96 -0.08 120.40 119.53 1fmb s VAL 82 Ca 0.56 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1fmb s VAL 82 Cb -0.11 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.81 1fmb s VAL 82 CO 0.45 0.48 0.43 0.00 0.00 0.00 0.00 175.10 176.46 1fmb s ALA 83 N 0.52 -1.05 -1.36 5.51 0.00 -0.39 -2.55 121.76 122.45 1fmb s ALA 83 Ca -0.16 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.88 1fmb s ALA 83 Cb -0.17 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.49 1fmb s ALA 83 CO 0.06 -0.53 1.93 -0.25 0.00 0.00 0.00 175.76 176.97 1fmb n ASP 84 N 0.23 4.52 -4.67 0.00 8.00 -1.26 -2.21 116.55 121.15 1fmb n ASP 84 Ca -0.18 -2.89 -0.24 0.00 0.71 0.00 0.00 54.79 52.20 1fmb n ASP 84 Cb 0.61 -1.71 -0.07 0.00 -0.02 0.00 0.00 41.12 39.92 1fmb n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1fmb s ILE 85 N 3.81 2.90 -0.28 0.53 -4.36 -1.26 -5.01 121.20 117.53 1fmb s ILE 85 Ca 0.51 -1.85 0.28 0.00 -0.26 0.00 0.00 60.65 59.33 1fmb s ILE 85 Cb 0.08 -2.88 0.34 0.00 1.25 0.00 0.00 42.46 41.25 1fmb s ILE 85 CO 0.01 -0.22 1.79 -0.65 0.24 0.00 0.00 174.94 176.11 1fmb h PRO 86 N 1.71 0.00 -3.58 0.37 0.11 -2.01 -3.44 132.00 125.16 1fmb h PRO 86 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1fmb h PRO 86 Cb 1.25 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 1fmb h PRO 86 CO 0.64 0.00 -0.28 0.54 -0.21 0.00 0.00 178.00 178.69 1fmb s VAL 87 N -3.38 0.11 -0.05 3.15 0.11 -1.26 -5.07 120.40 114.01 1fmb s VAL 87 Ca 0.05 -0.91 -0.17 0.00 -2.93 0.00 0.00 61.98 58.01 1fmb s VAL 87 Cb 0.08 -1.17 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1fmb s VAL 87 CO 0.57 -0.50 0.47 -0.89 -3.33 0.00 0.00 175.10 171.42 1fmb s THR 88 N -3.42 5.06 -0.10 5.04 2.01 -1.26 -4.49 115.64 118.48 1fmb s THR 88 Ca 0.01 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1fmb s THR 88 Cb 0.02 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1fmb s THR 88 CO -0.09 0.44 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.42 1fmb s ILE 89 N -0.20 2.14 -0.37 1.82 1.01 -0.16 -1.06 121.20 124.37 1fmb s ILE 89 Ca 0.26 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 1fmb s ILE 89 Cb -0.16 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.49 1fmb s ILE 89 CO 0.13 0.56 0.33 -0.76 0.00 0.00 0.00 174.94 175.19 1fmb s LEU 90 N 0.35 4.68 0.00 2.97 1.02 -0.50 -1.10 118.68 126.09 1fmb s LEU 90 Ca -0.18 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1fmb s LEU 90 Cb -0.18 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.78 1fmb s LEU 90 CO 0.09 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 176.69 1fmb n GLY 91 N 5.07 1.49 0.29 -3.19 0.00 -1.25 -1.23 105.19 106.36 1fmb n GLY 91 Ca -0.10 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 43.94 1fmb n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fmb h ARG 92 N 0.00 0.51 -0.32 1.61 3.08 -1.31 -0.32 114.38 117.64 1fmb h ARG 92 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1fmb h ARG 92 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1fmb h ARG 92 CO 0.00 0.44 0.21 0.38 -1.07 0.00 0.00 179.97 179.93 1fmb h ASP 93 N 0.51 0.38 0.63 7.04 2.03 -1.82 -1.34 116.42 123.85 1fmb h ASP 93 Ca 0.13 -0.02 -0.27 0.00 -0.73 0.00 0.00 57.03 56.13 1fmb h ASP 93 Cb 0.13 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 1fmb h ASP 93 CO -0.01 0.29 -1.34 0.40 -1.03 0.00 0.00 179.24 177.54 1fmb h ILE 94 N 0.43 1.35 -1.01 4.15 2.04 -1.76 -3.14 117.51 119.57 1fmb h ILE 94 Ca 0.12 -3.01 0.04 0.00 1.00 0.00 0.00 64.86 63.01 1fmb h ILE 94 Cb -0.03 2.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.79 1fmb h ILE 94 CO -0.02 0.85 0.66 -0.07 0.00 0.00 0.00 178.15 179.56 1fmb h LEU 95 N 0.05 1.10 -0.48 1.44 3.38 -1.03 -1.25 115.31 118.53 1fmb h LEU 95 Ca -0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1fmb h LEU 95 Cb 1.95 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1fmb h LEU 95 CO 0.16 0.75 0.20 -0.61 0.09 0.00 0.00 178.44 179.04 1fmb h GLN 96 N 1.28 0.71 -0.67 1.13 4.15 -1.29 -0.65 115.11 119.77 1fmb h GLN 96 Ca 0.40 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.72 1fmb h GLN 96 Cb -0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 1fmb h GLN 96 CO -0.12 0.62 0.43 -0.44 -1.93 0.00 0.00 178.83 177.38 1fmb h ASP 97 N 0.63 0.72 0.65 -0.69 3.32 -1.37 -1.77 116.42 117.91 1fmb h ASP 97 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1fmb h ASP 97 Cb 0.17 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1fmb h ASP 97 CO -0.02 0.51 0.00 0.18 -1.72 0.00 0.00 179.24 178.19 1fmb n LEU 98 N -4.66 0.00 0.00 1.55 4.77 -0.52 -4.91 117.00 113.23 1fmb n LEU 98 Ca 0.06 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1fmb n LEU 98 Cb 0.05 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1fmb n LEU 98 CO 0.34 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1fmb n GLY 99 N 0.95 0.57 3.78 -0.72 0.00 -0.67 -5.04 105.19 104.07 1fmb n GLY 99 Ca 0.09 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1fmb n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fmb s ALA 100 N -2.00 2.79 0.00 4.61 0.00 -0.31 -5.01 121.76 121.84 1fmb s ALA 100 Ca 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1fmb s ALA 100 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 1fmb s ALA 100 CO 0.00 -0.63 0.08 0.15 0.00 0.00 0.00 175.76 175.37 1fmb s LYS 101 N -3.16 0.38 -0.17 0.00 -0.14 -1.26 -4.74 119.74 110.66 1fmb s LYS 101 Ca 0.70 -0.39 -0.05 0.00 -1.36 0.00 0.00 55.97 54.86 1fmb s LYS 101 Cb -0.23 0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 36.04 1fmb s LYS 101 CO 0.26 -0.08 0.00 -1.17 -0.76 0.00 0.00 175.35 173.61 1fmb s LEU 102 N -1.21 3.49 -0.17 3.17 2.96 -1.26 -5.08 118.68 120.57 1fmb s LEU 102 Ca -0.13 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1fmb s LEU 102 Cb -0.07 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1fmb s LEU 102 CO 0.01 0.17 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.43 1fmb s VAL 103 N 0.35 3.20 0.00 1.68 1.01 -1.26 -5.28 120.40 120.10 1fmb s VAL 103 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1fmb s VAL 103 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1fmb s VAL 103 CO 0.02 0.48 0.48 -0.11 0.00 0.00 0.00 175.10 175.96