#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1m n GLY 18 N 0.00 3.09 3.86 8.31 0.00 -1.26 -5.04 105.19 114.15 3a1m n GLY 18 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3a1m n GLY 18 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 19 N 0.00 6.15 0.34 1.61 -0.87 -1.26 -5.05 114.94 115.87 3a1m s ASN 19 Ca 0.00 1.47 -0.05 0.00 -1.57 0.00 0.00 52.86 52.71 3a1m s ASN 19 Cb 0.00 -2.48 -0.05 0.00 -0.02 0.00 0.00 41.25 38.70 3a1m s ASN 19 CO 0.00 -0.92 0.62 -0.83 -2.57 0.00 0.00 177.10 173.40 3a1m s GLY 20 N -3.97 1.72 0.29 0.66 0.00 -1.26 -5.06 107.32 99.70 3a1m s GLY 20 Ca 0.56 -0.56 -0.28 0.00 0.00 0.00 0.00 44.72 44.43 3a1m s GLY 20 CO 0.51 -0.44 1.07 2.41 0.00 0.00 0.00 173.10 176.65 3a1m n THR 21 N -1.34 1.92 -3.40 0.90 -1.04 -1.26 -4.99 114.28 105.07 3a1m n THR 21 Ca -0.01 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.05 61.12 3a1m n THR 21 Cb 0.54 -1.09 -0.09 0.00 -1.82 0.00 0.00 70.33 67.88 3a1m n THR 21 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3a1m s ILE 22 N -1.00 5.18 -0.14 12.58 1.01 -1.26 -5.07 121.20 132.50 3a1m s ILE 22 Ca 0.59 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.75 3a1m s ILE 22 Cb -0.69 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.07 3a1m s ILE 22 CO 0.60 0.13 -0.16 -0.22 0.00 0.00 0.00 174.94 175.29 3a1m s LEU 23 N 2.06 2.48 -0.26 2.97 2.96 -1.26 -5.10 118.68 122.53 3a1m s LEU 23 Ca 0.14 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 3a1m s LEU 23 Cb -0.16 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 3a1m s LEU 23 CO 0.10 0.11 0.12 -0.69 -1.32 0.00 0.00 176.35 174.67 3a1m s VAL 24 N 0.66 4.72 -1.29 1.68 1.01 -1.26 -5.00 120.40 120.93 3a1m s VAL 24 Ca -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3a1m s VAL 24 Cb -0.16 -3.22 0.15 0.00 0.00 0.00 0.00 36.38 33.15 3a1m s VAL 24 CO 0.02 0.31 2.16 0.29 0.00 0.00 0.00 175.10 177.88 3a1m n LYS 25 N 4.92 4.28 -0.25 2.72 4.76 -1.26 -4.79 118.16 128.54 3a1m n LYS 25 Ca -0.15 -3.55 0.00 0.00 -2.87 0.00 0.00 58.31 51.73 3a1m n LYS 25 Cb 0.52 -2.72 0.00 0.00 -1.84 0.00 0.00 35.03 30.98 3a1m n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a1m n GLY 26 N 2.03 0.08 3.83 0.72 0.00 -1.26 -5.13 105.19 105.47 3a1m n GLY 26 Ca 0.53 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 3a1m n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 27 N -4.00 4.76 -0.04 1.61 0.01 -1.26 -5.07 114.94 110.95 3a1m s ASN 27 Ca 0.00 1.23 0.01 0.00 -0.71 0.00 0.00 52.86 53.39 3a1m s ASN 27 Cb 0.00 -1.97 0.02 0.00 0.41 0.00 0.00 41.25 39.71 3a1m s ASN 27 CO 0.00 -1.79 -0.05 0.54 -1.51 0.00 0.00 177.10 174.29 3a1m s VAL 28 N -3.24 0.60 -0.11 1.60 0.11 -1.26 -5.02 120.40 113.07 3a1m s VAL 28 Ca 0.60 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 3a1m s VAL 28 Cb -0.13 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3a1m s VAL 28 CO 0.53 0.24 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.49 3a1m s THR 29 N 0.84 1.52 -0.05 5.04 2.01 -1.26 -5.13 115.64 118.61 3a1m s THR 29 Ca -0.12 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3a1m s THR 29 Cb -0.14 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 70.98 3a1m s THR 29 CO 0.01 0.45 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.61 3a1m s ILE 30 N 1.04 1.24 -0.09 1.82 1.01 -1.26 -5.13 121.20 119.83 3a1m s ILE 30 Ca -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3a1m s ILE 30 Cb -0.15 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.25 3a1m s ILE 30 CO -0.03 0.37 -0.11 -0.63 0.00 0.00 0.00 174.94 174.54 3a1m s ILE 31 N 0.30 1.18 -0.26 2.92 1.01 -1.26 -5.11 121.20 119.97 3a1m s ILE 31 Ca -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 3a1m s ILE 31 Cb -0.13 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3a1m s ILE 31 CO 0.03 0.38 0.01 -0.69 0.00 0.00 0.00 174.94 174.66 3a1m s VAL 32 N 1.08 3.46 0.20 2.92 1.01 -1.26 -5.01 120.40 122.80 3a1m s VAL 32 Ca -0.06 -0.78 0.19 0.00 0.00 0.00 0.00 61.98 61.32 3a1m s VAL 32 Cb -0.14 -2.74 0.13 0.00 0.00 0.00 0.00 36.38 33.63 3a1m s VAL 32 CO -0.02 0.18 1.75 -0.33 0.00 0.00 0.00 175.10 176.69 3a1m h GLU 33 N 8.13 0.00 0.00 2.72 5.08 -2.07 -3.46 114.58 124.98 3a1m h GLU 33 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3a1m h GLU 33 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3a1m h GLU 33 CO 0.59 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 179.38 3a1m n GLY 34 N 0.15 2.67 3.94 -3.84 0.00 -1.26 -5.12 105.19 101.72 3a1m n GLY 34 Ca -0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 3a1m n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 35 N -0.06 6.32 -0.16 1.61 0.01 -1.26 -5.09 114.94 116.32 3a1m s ASN 35 Ca 0.00 0.45 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 3a1m s ASN 35 Cb 0.00 -2.03 0.03 0.00 0.41 0.00 0.00 41.25 39.66 3a1m s ASN 35 CO 0.00 -0.24 -0.12 0.00 -1.51 0.00 0.00 177.10 175.23 3a1m s ALA 36 N -2.22 1.82 -0.21 0.60 0.00 -1.26 -5.09 121.76 115.42 3a1m s ALA 36 Ca 0.40 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3a1m s ALA 36 Cb -0.10 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 21.97 3a1m s ALA 36 CO 0.34 -0.49 -0.12 -0.51 0.00 0.00 0.00 175.76 174.98 3a1m s ASP 37 N 1.49 3.52 -0.07 0.00 1.01 -1.26 -5.11 116.67 116.26 3a1m s ASP 37 Ca 0.04 -0.93 0.05 0.00 0.71 0.00 0.00 52.55 52.42 3a1m s ASP 37 Cb -0.14 -1.33 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 3a1m s ASP 37 CO -0.10 -0.13 -0.23 -0.63 0.21 0.00 0.00 175.17 174.30 3a1m s ILE 38 N 1.32 2.26 -0.03 0.77 1.01 -1.26 -5.12 121.20 120.15 3a1m s ILE 38 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3a1m s ILE 38 Cb -0.16 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3a1m s ILE 38 CO -0.09 0.57 -0.09 -0.89 0.00 0.00 0.00 174.94 174.44 3a1m s THR 39 N -0.15 0.77 -0.18 2.92 2.01 -1.26 -5.12 115.64 114.63 3a1m s THR 39 Ca -0.03 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3a1m s THR 39 Cb -0.14 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.71 3a1m s THR 39 CO 0.04 0.24 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.36 3a1m s VAL 40 N 0.19 1.84 -0.01 3.82 1.01 -1.26 -5.01 120.40 120.98 3a1m s VAL 40 Ca -0.03 -0.92 0.12 0.00 0.00 0.00 0.00 61.98 61.15 3a1m s VAL 40 Cb -0.08 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3a1m s VAL 40 CO 0.00 0.40 1.41 0.11 0.00 0.00 0.00 175.10 177.03 3a1m h LYS 41 N 7.97 0.00 0.00 2.72 1.57 -2.07 -3.45 116.57 123.31 3a1m h LYS 41 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3a1m h LYS 41 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3a1m h LYS 41 CO 0.56 0.68 0.00 0.41 -0.57 0.00 0.00 179.45 180.53 3a1m n GLY 42 N 1.15 1.17 3.92 3.86 0.00 -1.26 -5.10 105.19 108.93 3a1m n GLY 42 Ca 0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3a1m n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 43 N -1.00 6.40 -0.10 1.61 1.01 -1.26 -5.11 116.67 118.22 3a1m s ASP 43 Ca 0.00 0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.66 3a1m s ASP 43 Cb 0.00 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.94 3a1m s ASP 43 CO 0.00 0.08 -0.23 0.00 0.21 0.00 0.00 175.17 175.23 3a1m s ALA 44 N -1.66 2.12 -0.08 5.23 0.00 -1.26 -5.08 121.76 121.04 3a1m s ALA 44 Ca 0.37 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3a1m s ALA 44 Cb -0.12 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.21 3a1m s ALA 44 CO 0.27 0.26 -0.08 0.99 0.00 0.00 0.00 175.76 177.20 3a1m s THR 45 N 0.39 0.95 0.07 0.00 2.01 -1.26 -5.14 115.64 112.65 3a1m s THR 45 Ca -0.18 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.61 3a1m s THR 45 Cb -0.18 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3a1m s THR 45 CO 0.08 0.33 -0.26 -0.89 -0.69 0.00 0.00 174.62 173.20 3a1m s THR 46 N 1.19 2.09 -0.02 -0.82 2.01 -1.26 -5.13 115.64 113.69 3a1m s THR 46 Ca -0.05 -1.46 -0.00 0.00 0.31 0.00 0.00 61.69 60.49 3a1m s THR 46 Cb -0.14 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.59 3a1m s THR 46 CO -0.02 0.26 0.04 -0.22 -0.69 0.00 0.00 174.62 173.99 3a1m s LEU 47 N -1.45 0.96 -0.13 4.42 2.96 -1.26 -5.11 118.68 119.07 3a1m s LEU 47 Ca 0.11 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3a1m s LEU 47 Cb -0.10 -0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.56 3a1m s LEU 47 CO 0.03 -0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.11 3a1m s VAL 48 N 1.19 1.35 0.11 1.68 1.01 -1.26 -5.01 120.40 119.47 3a1m s VAL 48 Ca -0.08 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.46 3a1m s VAL 48 Cb -0.13 -1.30 -0.22 0.00 0.00 0.00 0.00 36.38 34.73 3a1m s VAL 48 CO -0.03 0.42 1.23 -0.33 0.00 0.00 0.00 175.10 176.39 3a1m h GLU 49 N 8.07 0.05 0.00 2.72 5.08 -2.07 -3.45 114.58 124.98 3a1m h GLU 49 Ca -0.35 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3a1m h GLU 49 Cb 1.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3a1m h GLU 49 CO 0.48 1.02 0.00 0.41 -1.00 0.00 0.00 179.01 179.92 3a1m n GLY 50 N 1.39 1.40 3.89 -3.84 0.00 -1.26 -5.09 105.19 101.69 3a1m n GLY 50 Ca -0.02 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 3a1m n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 51 N -1.00 6.51 -0.16 1.61 0.01 -1.26 -5.08 114.94 115.56 3a1m s ASN 51 Ca 0.00 0.70 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 3a1m s ASN 51 Cb 0.00 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.53 3a1m s ASN 51 CO 0.00 -0.05 -0.17 -1.58 -1.51 0.00 0.00 177.10 173.79 3a1m s GLN 52 N -2.97 3.11 -0.13 -0.60 0.74 -1.26 -5.07 119.66 113.49 3a1m s GLN 52 Ca 0.43 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 55.08 3a1m s GLN 52 Cb -0.11 -2.60 0.01 0.00 1.10 0.00 0.00 33.01 31.41 3a1m s GLN 52 CO 0.25 -0.08 -0.19 0.99 -0.55 0.00 0.00 175.29 175.71 3a1m s THR 53 N 1.02 1.81 -0.11 -0.34 2.01 -1.26 -5.13 115.64 113.65 3a1m s THR 53 Ca -0.02 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.17 3a1m s THR 53 Cb -0.15 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.76 3a1m s THR 53 CO -0.05 0.50 -0.14 0.20 -0.69 0.00 0.00 174.62 174.45 3a1m s ASN 54 N 0.91 2.32 -0.08 3.53 0.02 -1.26 -5.12 114.94 115.26 3a1m s ASN 54 Ca -0.06 -0.40 0.05 0.00 -1.02 0.00 0.00 52.86 51.43 3a1m s ASN 54 Cb -0.15 -1.02 -0.00 0.00 0.02 0.00 0.00 41.25 40.09 3a1m s ASN 54 CO -0.02 -0.00 -0.23 -0.89 0.02 0.00 0.00 177.10 175.98 3a1m s THR 55 N 1.06 1.93 -0.15 1.60 2.01 -1.26 -5.11 115.64 115.73 3a1m s THR 55 Ca -0.06 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 3a1m s THR 55 Cb -0.15 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.73 3a1m s THR 55 CO -0.02 0.54 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.67 3a1m s VAL 56 N 0.17 1.23 -0.69 3.82 1.01 -1.26 -5.01 120.40 119.68 3a1m s VAL 56 Ca -0.12 -0.54 0.25 0.00 0.00 0.00 0.00 61.98 61.56 3a1m s VAL 56 Cb -0.16 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.02 3a1m s VAL 56 CO 0.06 0.29 1.40 0.59 0.00 0.00 0.00 175.10 177.45 3a1m n ASN 57 N 4.86 0.69 0.00 3.32 3.02 -1.26 -4.79 115.26 121.10 3a1m n ASN 57 Ca -0.13 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3a1m n ASN 57 Cb 0.49 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3a1m n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1m n GLY 58 N 1.35 0.95 3.68 7.41 0.00 -1.26 -5.12 105.19 112.20 3a1m n GLY 58 Ca 0.04 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 3a1m n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 59 N -1.00 5.00 -0.18 1.61 0.01 -1.26 -5.11 114.94 114.00 3a1m s ASN 59 Ca 0.00 -0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 51.97 3a1m s ASN 59 Cb 0.00 -1.20 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 3a1m s ASN 59 CO 0.00 0.20 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.49 3a1m s LEU 60 N -2.14 2.84 -0.06 0.60 2.96 -1.26 -5.07 118.68 116.56 3a1m s LEU 60 Ca 0.24 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 3a1m s LEU 60 Cb -0.12 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3a1m s LEU 60 CO 0.16 0.06 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.65 3a1m s SER 61 N 0.99 2.17 -0.08 3.68 0.01 -1.26 -5.14 113.70 114.07 3a1m s SER 61 Ca -0.01 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.94 3a1m s SER 61 Cb -0.15 -0.75 -0.00 0.00 0.21 0.00 0.00 66.02 65.33 3a1m s SER 61 CO -0.00 0.12 -0.24 0.26 0.41 0.00 0.00 173.24 173.80 3a1m s TRP 62 N 0.23 2.43 -0.14 2.43 0.52 -1.26 -5.11 118.94 118.04 3a1m s TRP 62 Ca -0.08 -0.88 -0.00 0.00 0.02 0.00 0.00 56.10 55.15 3a1m s TRP 62 Cb -0.13 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 30.60 3a1m s TRP 62 CO 0.03 -0.33 -0.06 0.21 0.02 0.00 0.00 176.95 176.82 3a1m s LYS 63 N 0.16 1.47 -0.11 4.98 2.20 -1.26 -5.11 119.74 122.07 3a1m s LYS 63 Ca -0.13 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 3a1m s LYS 63 Cb -0.16 -1.79 0.03 0.00 -1.51 0.00 0.00 37.83 34.39 3a1m s LYS 63 CO 0.07 -0.35 -0.06 0.08 -0.36 0.00 0.00 175.35 174.73 3a1m s VAL 64 N 1.68 0.87 0.22 4.02 1.01 -1.26 -5.01 120.40 121.93 3a1m s VAL 64 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 3a1m s VAL 64 Cb -0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3a1m s VAL 64 CO -0.08 0.32 1.58 0.00 0.00 0.00 0.00 175.10 176.92 3a1m h ALA 65 N 8.21 0.84 -3.00 5.51 0.00 -2.08 -3.45 119.26 125.29 3a1m h ALA 65 Ca -0.27 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3a1m h ALA 65 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3a1m h ALA 65 CO 0.37 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.69 3a1m n GLY 66 N 0.06 2.07 3.96 0.00 0.00 -1.26 -5.08 105.19 104.94 3a1m n GLY 66 Ca -0.02 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 3a1m n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a1m s THR 67 N 4.90 4.80 -0.13 2.61 -4.23 -1.26 -5.10 115.64 117.23 3a1m s THR 67 Ca 0.00 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 3a1m s THR 67 Cb 0.00 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.11 3a1m s THR 67 CO 0.00 -0.42 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.76 3a1m s VAL 68 N -2.27 1.96 -0.05 2.29 1.01 -1.26 -5.08 120.40 116.99 3a1m s VAL 68 Ca 0.41 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3a1m s VAL 68 Cb -0.10 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 3a1m s VAL 68 CO 0.34 0.53 -0.16 -0.62 0.00 0.00 0.00 175.10 175.19 3a1m s ASP 69 N 0.78 2.10 -0.10 3.32 2.15 -1.26 -5.13 116.67 118.53 3a1m s ASP 69 Ca -0.09 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.56 3a1m s ASP 69 Cb -0.16 -0.64 0.02 0.00 -0.30 0.00 0.00 42.92 41.85 3a1m s ASP 69 CO -0.00 0.14 -0.12 0.26 -0.17 0.00 0.00 175.17 175.27 3a1m s TRP 70 N 0.12 1.69 -0.29 -5.34 0.52 -1.26 -5.10 118.94 109.28 3a1m s TRP 70 Ca -0.05 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.32 3a1m s TRP 70 Cb -0.12 -1.27 0.08 0.00 -1.15 0.00 0.00 33.47 31.01 3a1m s TRP 70 CO 0.02 -0.44 -0.03 0.34 0.02 0.00 0.00 176.95 176.87 3a1m s ASP 71 N 1.12 4.45 -0.21 2.95 -1.08 -1.26 -5.09 116.67 117.54 3a1m s ASP 71 Ca -0.05 -1.66 -0.01 0.00 -0.52 0.00 0.00 52.55 50.31 3a1m s ASP 71 Cb -0.14 -1.48 0.02 0.00 -1.46 0.00 0.00 42.92 39.85 3a1m s ASP 71 CO -0.02 -0.28 -0.12 -0.69 0.52 0.00 0.00 175.17 174.58 3a1m s VAL 72 N 1.10 2.62 0.29 1.11 1.01 -1.26 -4.99 120.40 120.28 3a1m s VAL 72 Ca -0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3a1m s VAL 72 Cb -0.19 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.05 3a1m s VAL 72 CO -0.07 0.39 1.74 1.23 0.00 0.00 0.00 175.10 178.39 3a1m h GLY 73 N 7.99 0.51 0.00 4.51 0.00 -2.08 -3.46 103.07 110.54 3a1m h GLY 73 Ca -0.40 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3a1m h GLY 73 CO 0.60 0.37 0.00 0.61 0.00 0.00 0.00 176.54 178.12 3a1m n GLY 74 N -0.44 4.27 3.80 4.60 0.00 -1.26 -5.10 105.19 111.06 3a1m n GLY 74 Ca -0.00 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 3a1m n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 75 N -0.08 5.18 -0.14 1.61 1.01 -1.26 -5.07 116.67 117.93 3a1m s ASP 75 Ca 0.00 1.71 0.03 0.00 0.71 0.00 0.00 52.55 54.99 3a1m s ASP 75 Cb 0.00 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3a1m s ASP 75 CO 0.00 -1.58 -0.22 0.86 0.21 0.00 0.00 175.17 174.44 3a1m s TRP 76 N -2.92 2.64 0.01 4.23 -0.11 -1.26 -5.12 118.94 116.42 3a1m s TRP 76 Ca 0.60 -1.32 0.05 0.00 1.22 0.00 0.00 56.10 56.64 3a1m s TRP 76 Cb -0.15 -1.80 -0.02 0.00 -1.50 0.00 0.00 33.47 30.00 3a1m s TRP 76 CO 0.53 -0.60 -0.15 0.95 -4.62 0.00 0.00 176.95 173.05 3a1m s THR 77 N 0.80 1.21 -0.10 5.86 -4.23 -1.26 -5.14 115.64 112.78 3a1m s THR 77 Ca -0.08 -0.81 -0.26 0.00 -1.18 0.00 0.00 61.69 59.36 3a1m s THR 77 Cb -0.16 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.70 3a1m s THR 77 CO -0.01 0.22 0.61 -1.83 -0.54 0.00 0.00 174.62 173.06 3a1m s GLU 78 N -0.69 0.91 0.04 3.99 -1.05 -1.26 -5.16 118.70 115.48 3a1m s GLU 78 Ca 0.05 0.37 0.02 0.00 -0.15 0.00 0.00 54.97 55.25 3a1m s GLU 78 Cb -0.07 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 3a1m s GLU 78 CO 0.00 -0.24 -0.07 0.15 0.95 0.00 0.00 175.26 176.06 3a1m s LYS 79 N -0.77 0.50 0.11 -4.83 1.02 -1.26 -5.17 119.74 109.35 3a1m s LYS 79 Ca -0.08 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 54.90 3a1m s LYS 79 Cb -0.02 -0.22 0.07 0.00 -0.52 0.00 0.00 37.83 37.14 3a1m s LYS 79 CO 0.06 0.03 0.94 0.00 -0.92 0.00 0.00 175.35 175.46 3a1m s MET 80 N -1.64 1.10 0.21 1.68 0.23 -1.26 -5.05 119.30 114.56 3a1m s MET 80 Ca -0.10 -0.57 0.10 0.00 -1.03 0.00 0.00 55.69 54.10 3a1m s MET 80 Cb -0.09 0.40 0.04 0.00 -1.53 0.00 0.00 34.83 33.65 3a1m s MET 80 CO -0.00 -0.50 1.42 0.00 -2.03 0.00 0.00 175.02 173.91 3a1m h ALA 81 N 2.00 0.60 -2.21 3.16 0.00 -2.09 -3.46 119.26 117.25 3a1m h ALA 81 Ca -0.24 -0.70 0.06 0.00 0.00 0.00 0.00 54.91 54.03 3a1m h ALA 81 Cb 1.23 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 3a1m h ALA 81 CO 0.27 0.96 0.42 -1.54 0.00 0.00 0.00 179.25 179.36 3a1m s SER 82 N -6.67 -0.43 -0.03 0.00 1.04 -1.26 -5.16 113.70 101.19 3a1m s SER 82 Ca 0.01 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.66 3a1m s SER 82 Cb 0.10 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3a1m s SER 82 CO 0.78 -0.62 -0.17 -0.32 0.98 0.00 0.00 173.24 173.89 3a1m s MET 83 N -2.57 1.62 -0.15 4.02 0.00 -1.26 -5.11 119.30 115.85 3a1m s MET 83 Ca 0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 55.69 55.04 3a1m s MET 83 Cb -0.01 -1.48 0.05 0.00 0.00 0.00 0.00 34.83 33.40 3a1m s MET 83 CO -0.05 0.31 0.05 0.45 0.00 0.00 0.00 175.02 175.78 3a1m s SER 84 N -0.18 2.34 -0.26 1.11 0.15 -1.26 -5.12 113.70 110.49 3a1m s SER 84 Ca 0.01 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3a1m s SER 84 Cb -0.09 -0.40 0.07 0.00 -1.71 0.00 0.00 66.02 63.89 3a1m s SER 84 CO 0.01 -0.30 0.00 -0.55 1.20 0.00 0.00 173.24 173.60 3a1m s SER 85 N 2.01 3.85 -0.19 5.45 0.15 -1.26 -5.09 113.70 118.62 3a1m s SER 85 Ca 0.02 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.34 3a1m s SER 85 Cb -0.15 -1.08 0.04 0.00 -1.71 0.00 0.00 66.02 63.12 3a1m s SER 85 CO -0.07 -0.30 -0.08 -0.63 1.20 0.00 0.00 173.24 173.36 3a1m s ILE 86 N 1.45 1.44 0.06 6.45 1.01 -1.26 -5.12 121.20 125.22 3a1m s ILE 86 Ca -0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 3a1m s ILE 86 Cb -0.18 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 3a1m s ILE 86 CO -0.10 0.13 0.48 -0.94 0.00 0.00 0.00 174.94 174.50 3a1m s SER 87 N 1.48 6.87 0.38 3.58 1.04 -1.26 -4.98 113.70 120.80 3a1m s SER 87 Ca -0.01 1.05 0.20 0.00 0.48 0.00 0.00 55.95 57.67 3a1m s SER 87 Cb -0.16 -2.28 0.56 0.00 0.10 0.00 0.00 66.02 64.24 3a1m s SER 87 CO -0.08 0.26 1.67 0.77 0.98 0.00 0.00 173.24 176.84 3a1m h SER 88 N 4.35 0.00 0.00 7.02 4.64 -2.07 -3.45 113.55 124.03 3a1m h SER 88 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3a1m h SER 88 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3a1m h SER 88 CO 0.63 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 3a1m n GLY 89 N 0.59 3.02 3.78 -0.77 0.00 -1.26 -5.10 105.19 105.45 3a1m n GLY 89 Ca 0.01 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3a1m n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a1m s GLN 90 N 3.94 3.56 -0.14 1.61 -0.21 -1.26 -5.04 119.66 122.12 3a1m s GLN 90 Ca 0.00 1.56 -0.01 0.00 0.02 0.00 0.00 55.36 56.92 3a1m s GLN 90 Cb 0.00 -2.10 0.04 0.00 1.00 0.00 0.00 33.01 31.95 3a1m s GLN 90 CO 0.00 -0.66 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.02 3a1m s TYR 91 N -1.80 1.17 -0.05 0.91 5.04 -1.26 -4.92 117.35 116.44 3a1m s TYR 91 Ca 0.70 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 54.67 3a1m s TYR 91 Cb -0.22 -1.06 -0.00 0.00 0.35 0.00 0.00 41.96 41.02 3a1m s TYR 91 CO 0.26 -0.52 -0.18 0.99 -1.34 0.00 0.00 175.55 174.76 3a1m s THR 92 N 1.81 1.55 -0.01 4.34 2.01 -1.26 -5.12 115.64 118.96 3a1m s THR 92 Ca 0.02 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3a1m s THR 92 Cb -0.15 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 3a1m s THR 92 CO -0.07 0.44 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.56 3a1m s ILE 93 N 0.11 0.91 0.01 1.82 1.01 -1.26 -5.14 121.20 118.66 3a1m s ILE 93 Ca -0.07 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 3a1m s ILE 93 Cb -0.13 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3a1m s ILE 93 CO 0.03 0.26 0.23 -0.62 0.00 0.00 0.00 174.94 174.84 3a1m s ASP 94 N -0.17 -0.07 0.27 3.58 2.15 -1.26 -5.16 116.67 116.01 3a1m s ASP 94 Ca 0.03 -0.13 -0.13 0.00 0.43 0.00 0.00 52.55 52.74 3a1m s ASP 94 Cb -0.06 0.28 0.05 0.00 -0.30 0.00 0.00 42.92 42.89 3a1m s ASP 94 CO -0.00 -0.46 0.69 0.61 -0.17 0.00 0.00 175.17 175.84 3a1m n GLY 95 N 1.14 1.05 0.21 2.66 0.00 -1.26 -5.04 105.19 103.96 3a1m n GLY 95 Ca -0.21 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 3a1m n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a1m h SER 96 N 1.60 0.52 -3.71 1.61 4.64 -2.08 -3.42 113.55 112.71 3a1m h SER 96 Ca -0.26 -0.25 -0.23 0.00 -0.47 0.00 0.00 61.79 60.59 3a1m h SER 96 Cb 0.99 -0.15 -0.28 0.00 -0.31 0.00 0.00 62.40 62.65 3a1m h SER 96 CO 0.33 0.91 -0.67 -0.13 -0.87 0.00 0.00 176.83 176.40 3a1m s ARG 97 N -4.11 0.05 -0.21 4.77 0.52 -1.26 -5.14 118.95 113.57 3a1m s ARG 97 Ca -0.07 0.09 -0.01 0.00 -0.52 0.00 0.00 55.73 55.23 3a1m s ARG 97 Cb 0.12 -0.01 0.01 0.00 0.52 0.00 0.00 34.95 35.60 3a1m s ARG 97 CO 0.82 -0.03 -0.12 0.42 0.02 0.00 0.00 175.30 176.41 3a1m s ILE 98 N 0.18 2.63 -0.22 1.52 1.01 -1.26 -5.10 121.20 119.95 3a1m s ILE 98 Ca -0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 3a1m s ILE 98 Cb -0.02 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.25 3a1m s ILE 98 CO -0.01 0.40 -0.08 -1.81 0.00 0.00 0.00 174.94 173.45 3a1m s ASP 99 N 1.34 4.07 -0.20 3.58 1.11 -1.26 -5.09 116.67 120.22 3a1m s ASP 99 Ca 0.04 -0.60 0.01 0.00 0.18 0.00 0.00 52.55 52.18 3a1m s ASP 99 Cb -0.14 -1.66 0.04 0.00 1.07 0.00 0.00 42.92 42.22 3a1m s ASP 99 CO -0.08 -0.05 -0.13 -0.63 1.18 0.00 0.00 175.17 175.46 3a1m s ILE 100 N 1.39 1.84 0.00 0.77 1.01 -1.26 -5.26 121.20 119.69 3a1m s ILE 100 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.59 3a1m s ILE 100 Cb -0.15 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3a1m s ILE 100 CO -0.06 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.73