#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a78 n SER 2 N 0.00 0.00 -3.73 0.00 3.41 -1.26 -5.00 113.62 107.04 1a78 n SER 2 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1a78 n SER 2 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1a78 n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a78 s ALA 3 N -2.00 -0.07 0.71 7.33 0.00 -1.26 -4.60 121.76 121.86 1a78 s ALA 3 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1a78 s ALA 3 Cb 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1a78 s ALA 3 CO 0.00 -0.27 1.21 0.20 0.00 0.00 0.00 175.76 176.90 1a78 s GLY 4 N 1.51 2.43 0.51 0.00 0.00 -1.19 -4.89 107.32 105.69 1a78 s GLY 4 Ca -0.05 0.91 -0.15 0.00 0.00 0.00 0.00 44.72 45.44 1a78 s GLY 4 CO -0.05 1.32 0.96 0.54 0.00 0.00 0.00 173.10 175.87 1a78 s VAL 5 N -1.90 4.60 -0.01 1.40 0.11 -1.25 -4.76 120.40 118.58 1a78 s VAL 5 Ca 0.75 1.08 0.04 0.00 -2.93 0.00 0.00 61.98 60.92 1a78 s VAL 5 Cb -0.30 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 30.80 1a78 s VAL 5 CO 0.43 -0.72 -0.15 0.00 -3.33 0.00 0.00 175.10 171.34 1a78 s ALA 6 N -2.65 1.21 -0.10 1.54 0.00 -1.26 -1.57 121.76 118.93 1a78 s ALA 6 Ca 0.57 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1a78 s ALA 6 Cb -0.10 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1a78 s ALA 6 CO 0.34 0.29 -0.13 0.08 0.00 0.00 0.00 175.76 176.35 1a78 s VAL 7 N -0.31 1.29 0.20 0.00 1.01 0.55 -5.00 120.40 118.13 1a78 s VAL 7 Ca 0.05 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1a78 s VAL 7 Cb -0.06 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1a78 s VAL 7 CO -0.00 0.40 -0.03 0.42 0.00 0.00 0.00 175.10 175.89 1a78 s THR 8 N 1.08 3.52 -1.36 3.92 -4.23 -1.26 -1.81 115.64 115.50 1a78 s THR 8 Ca -0.06 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1a78 s THR 8 Cb -0.15 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1a78 s THR 8 CO -0.02 -0.17 0.06 0.59 -0.54 0.00 0.00 174.62 174.54 1a78 n ASN 9 N -0.26 -4.84 -0.15 3.99 3.02 -0.20 -4.88 115.26 111.95 1a78 n ASN 9 Ca -0.09 -0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.38 1a78 n ASN 9 Cb 0.56 -3.92 0.17 0.00 -0.61 0.00 0.00 39.78 35.99 1a78 n ASN 9 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1a78 h LEU 10 N -0.13 0.82 -2.12 3.41 5.85 -1.60 -3.47 115.31 118.06 1a78 h LEU 10 Ca -0.39 -0.14 -0.45 0.00 0.84 0.00 0.00 57.88 57.74 1a78 h LEU 10 Cb 1.28 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 42.12 1a78 h LEU 10 CO 0.45 0.79 -0.88 0.59 -0.34 0.00 0.00 178.44 179.06 1a78 n ASN 11 N -4.27 -1.72 -4.69 1.25 4.13 -0.55 -4.91 115.26 104.50 1a78 n ASN 11 Ca 0.04 -0.93 -0.42 0.00 1.68 0.00 0.00 54.58 54.95 1a78 n ASN 11 Cb 0.22 -3.55 -0.03 0.00 -1.54 0.00 0.00 39.78 34.88 1a78 n ASN 11 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1a78 s LEU 12 N -6.72 4.28 0.16 3.41 2.96 0.16 -4.63 118.68 118.30 1a78 s LEU 12 Ca 0.10 1.83 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 1a78 s LEU 12 Cb -0.03 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1a78 s LEU 12 CO 0.85 -0.59 0.12 -0.54 -1.32 0.00 0.00 176.35 174.87 1a78 s LYS 13 N 2.19 2.84 0.35 1.98 1.02 -1.26 0.18 119.74 127.04 1a78 s LYS 13 Ca 0.56 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 55.40 1a78 s LYS 13 Cb -0.25 -2.61 -0.12 0.00 -0.52 0.00 0.00 37.83 34.32 1a78 s LYS 13 CO 0.22 0.48 1.01 -2.30 -0.92 0.00 0.00 175.35 173.85 1a78 n PRO 14 N -0.29 1.38 -0.63 -1.68 -0.02 -1.26 -1.78 135.00 130.72 1a78 n PRO 14 Ca -0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1a78 n PRO 14 Cb 0.55 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1a78 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a78 n GLY 15 N 1.19 0.73 3.62 -1.23 0.00 0.12 -5.00 105.19 104.64 1a78 n GLY 15 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1a78 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a78 s HIS 16 N -2.47 2.04 0.05 1.61 3.76 -0.73 -4.95 115.29 114.59 1a78 s HIS 16 Ca 0.00 -0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1a78 s HIS 16 Cb 0.00 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1a78 s HIS 16 CO 0.00 0.14 -0.03 0.00 -0.85 0.00 0.00 174.74 174.01 1a78 s VAL 18 N -3.78 1.12 -0.16 0.00 -7.23 -0.51 -0.93 120.40 108.92 1a78 s VAL 18 Ca 0.06 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1a78 s VAL 18 Cb 0.07 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1a78 s VAL 18 CO -0.09 0.35 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.19 1a78 s GLU 19 N 0.73 3.17 -0.09 4.82 2.12 -0.45 -0.12 118.70 128.88 1a78 s GLU 19 Ca -0.13 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.41 1a78 s GLU 19 Cb -0.16 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1a78 s GLU 19 CO 0.03 -0.02 0.01 0.42 -0.54 0.00 0.00 175.26 175.16 1a78 s ILE 20 N 0.89 4.35 -0.11 -3.70 1.09 0.90 -1.02 121.20 123.59 1a78 s ILE 20 Ca -0.04 -0.23 -0.00 0.00 -1.10 0.00 0.00 60.65 59.27 1a78 s ILE 20 Cb -0.15 -2.83 0.02 0.00 -1.06 0.00 0.00 42.46 38.44 1a78 s ILE 20 CO -0.02 0.60 -0.08 -0.75 -0.10 0.00 0.00 174.94 174.59 1a78 s LYS 21 N -0.85 1.61 0.26 2.79 2.36 -0.66 -1.39 119.74 123.85 1a78 s LYS 21 Ca 0.13 -0.29 -0.05 0.00 -2.55 0.00 0.00 55.97 53.21 1a78 s LYS 21 Cb -0.11 -1.63 0.02 0.00 -1.05 0.00 0.00 37.83 35.06 1a78 s LYS 21 CO 0.02 -0.25 0.43 0.41 1.55 0.00 0.00 175.35 177.51 1a78 n GLY 22 N 4.87 1.95 3.12 5.54 0.00 -0.63 -0.97 105.19 119.07 1a78 n GLY 22 Ca -0.13 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1a78 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a78 s SER 23 N -2.48 2.13 -0.26 1.61 1.04 0.77 -0.83 113.70 115.68 1a78 s SER 23 Ca 0.16 -0.35 -0.20 0.00 0.48 0.00 0.00 55.95 56.04 1a78 s SER 23 Cb -0.02 -0.67 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 1a78 s SER 23 CO 0.12 0.14 0.62 -0.63 0.98 0.00 0.00 173.24 174.47 1a78 s ILE 24 N 0.14 4.98 0.62 -1.02 1.01 -0.27 -1.08 121.20 125.58 1a78 s ILE 24 Ca -0.06 1.06 -0.18 0.00 0.00 0.00 0.00 60.65 61.47 1a78 s ILE 24 Cb -0.12 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1a78 s ILE 24 CO 0.03 -0.00 1.07 -2.65 0.00 0.00 0.00 174.94 173.39 1a78 n PRO 25 N 5.74 0.96 -0.28 2.79 -0.02 -1.26 -1.17 135.00 141.76 1a78 n PRO 25 Ca -0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1a78 n PRO 25 Cb 0.49 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1a78 n PRO 25 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1a78 n PRO 26 N -1.34 0.87 -0.20 0.52 -0.04 -1.26 -2.11 135.00 131.44 1a78 n PRO 26 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1a78 n PRO 26 Cb 0.48 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1a78 n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a78 n ASP 27 N 1.21 0.00 -4.68 3.54 5.75 -1.26 -4.87 116.55 116.24 1a78 n ASP 27 Ca 0.00 -0.42 -0.42 0.00 -0.01 0.00 0.00 54.79 53.94 1a78 n ASP 27 Cb 0.43 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 1a78 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a78 h LYS 29 N 8.35 0.02 0.00 0.00 1.57 -1.91 -3.44 116.57 121.16 1a78 h LYS 29 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1a78 h LYS 29 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1a78 h LYS 29 CO 0.92 0.94 0.00 0.41 -0.57 0.00 0.00 179.45 181.16 1a78 n GLY 30 N 1.15 0.51 3.14 3.86 0.00 -1.26 -0.40 105.19 112.20 1a78 n GLY 30 Ca -0.01 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1a78 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a78 s PHE 31 N -2.00 0.77 0.01 1.61 -0.12 -0.15 -4.70 117.98 113.41 1a78 s PHE 31 Ca 0.00 -1.06 -0.02 0.00 -0.05 0.00 0.00 56.93 55.80 1a78 s PHE 31 Cb 0.00 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 1a78 s PHE 31 CO 0.00 -0.33 0.01 0.00 -0.05 0.00 0.00 175.22 174.85 1a78 s ALA 32 N -3.84 -0.00 -0.13 1.99 0.00 -0.90 -0.75 121.76 118.12 1a78 s ALA 32 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1a78 s ALA 32 Cb 0.07 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1a78 s ALA 32 CO -0.04 -0.14 -0.12 0.08 0.00 0.00 0.00 175.76 175.54 1a78 s VAL 33 N -1.16 1.37 -0.15 0.00 1.01 -0.19 -1.40 120.40 119.87 1a78 s VAL 33 Ca -0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1a78 s VAL 33 Cb -0.08 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1a78 s VAL 33 CO -0.00 0.42 -0.11 0.20 0.00 0.00 0.00 175.10 175.61 1a78 s ASN 34 N 1.55 4.11 -0.18 3.32 0.01 -0.08 -0.78 114.94 122.90 1a78 s ASN 34 Ca 0.05 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 1a78 s ASN 34 Cb -0.13 -1.65 0.01 0.00 0.41 0.00 0.00 41.25 39.89 1a78 s ASN 34 CO -0.10 0.12 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.70 1a78 s LEU 35 N 0.61 2.35 0.00 0.60 1.43 0.61 -1.52 118.68 122.76 1a78 s LEU 35 Ca -0.06 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1a78 s LEU 35 Cb -0.15 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1a78 s LEU 35 CO 0.03 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1a78 n GLY 36 N 4.43 1.81 0.00 -3.19 0.00 -0.16 0.24 105.19 108.32 1a78 n GLY 36 Ca -0.20 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 1a78 n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a78 n GLU 37 N 0.00 2.66 -3.88 1.61 1.02 -0.51 -1.50 120.64 120.05 1a78 n GLU 37 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1a78 n GLU 37 Cb 0.00 -1.01 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1a78 n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1a78 s ASP 38 N -3.36 0.00 0.00 1.62 1.47 -1.16 -4.51 116.67 110.73 1a78 s ASP 38 Ca -0.00 -0.70 0.00 0.00 1.18 0.00 0.00 52.55 53.03 1a78 s ASP 38 Cb 0.00 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 43.10 1a78 s ASP 38 CO 0.01 -1.03 0.31 0.00 0.68 0.00 0.00 175.17 175.14 1a78 n ALA 39 N -0.69 1.86 -0.50 2.11 0.00 -1.26 -1.41 120.51 120.62 1a78 n ALA 39 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1a78 n ALA 39 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1a78 n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a78 n SER 40 N 0.27 0.05 -3.56 0.00 7.64 -1.26 -4.91 113.62 111.85 1a78 n SER 40 Ca 0.00 -0.57 -0.25 0.00 1.01 0.00 0.00 58.87 59.06 1a78 n SER 40 Cb 0.16 0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.24 1a78 n SER 40 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1a78 s ASN 41 N -0.04 2.39 -0.07 6.43 -0.87 -0.50 -1.27 114.94 121.01 1a78 s ASN 41 Ca 0.00 -0.70 0.04 0.00 -1.57 0.00 0.00 52.86 50.63 1a78 s ASN 41 Cb 0.00 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.25 41.13 1a78 s ASN 41 CO 0.00 -0.37 -0.21 -0.36 -2.57 0.00 0.00 177.10 173.59 1a78 s PHE 42 N 2.18 2.17 0.08 2.20 0.08 -0.05 -1.42 117.98 123.21 1a78 s PHE 42 Ca 0.05 -0.78 -0.00 0.00 0.12 0.00 0.00 56.93 56.31 1a78 s PHE 42 Cb -0.16 -1.46 -0.26 0.00 -0.57 0.00 0.00 43.02 40.57 1a78 s PHE 42 CO -0.17 -0.30 1.13 1.25 -0.10 0.00 0.00 175.22 177.02 1a78 h LEU 43 N 6.54 0.29 -7.26 -0.37 5.85 -0.48 0.27 115.31 120.15 1a78 h LEU 43 Ca -0.26 -0.32 -0.21 0.00 0.84 0.00 0.00 57.88 57.93 1a78 h LEU 43 Cb 1.20 -0.09 -0.31 0.00 0.37 0.00 0.00 40.66 41.83 1a78 h LEU 43 CO 0.47 1.26 -0.51 -0.22 -0.34 0.00 0.00 178.44 179.10 1a78 s LEU 44 N -6.97 -0.01 -0.30 2.25 2.96 -0.69 -4.50 118.68 111.42 1a78 s LEU 44 Ca -0.03 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1a78 s LEU 44 Cb 0.08 0.72 0.05 0.00 0.50 0.00 0.00 46.19 47.54 1a78 s LEU 44 CO 0.86 -0.21 0.00 -2.28 -1.32 0.00 0.00 176.35 173.40 1a78 s HIS 45 N 1.94 3.27 -0.36 5.38 5.65 0.20 -0.29 115.29 131.08 1a78 s HIS 45 Ca -0.03 -1.89 -0.12 0.00 0.25 0.00 0.00 55.06 53.27 1a78 s HIS 45 Cb -0.11 -2.13 0.01 0.00 -1.18 0.00 0.00 32.58 29.17 1a78 s HIS 45 CO -0.09 -0.81 0.22 0.12 -0.65 0.00 0.00 174.74 173.54 1a78 s PHE 46 N 1.25 3.22 -0.21 3.88 5.36 0.04 -1.51 117.98 130.02 1a78 s PHE 46 Ca -0.05 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.31 1a78 s PHE 46 Cb -0.20 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.05 1a78 s PHE 46 CO -0.01 -0.53 -0.16 1.21 -1.46 0.00 0.00 175.22 174.26 1a78 s ASN 47 N 1.63 3.65 -0.40 6.13 3.04 -0.18 -1.02 114.94 127.79 1a78 s ASN 47 Ca 0.04 -0.92 -0.15 0.00 0.04 0.00 0.00 52.86 51.86 1a78 s ASN 47 Cb -0.18 -1.51 0.01 0.00 -1.54 0.00 0.00 41.25 38.03 1a78 s ASN 47 CO 0.08 -0.07 0.33 0.00 -3.04 0.00 0.00 177.10 174.40 1a78 s ALA 48 N 1.22 3.47 -0.27 1.71 0.00 0.07 -0.41 121.76 127.56 1a78 s ALA 48 Ca -0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 1a78 s ALA 48 Cb -0.16 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1a78 s ALA 48 CO -0.10 -1.39 0.16 1.03 0.00 0.00 0.00 175.76 175.46 1a78 s ARG 49 N 1.83 3.90 -0.12 0.00 0.52 -0.17 -0.97 118.95 123.94 1a78 s ARG 49 Ca 0.08 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 54.82 1a78 s ARG 49 Cb -0.18 -3.58 -0.11 0.00 0.52 0.00 0.00 34.95 31.60 1a78 s ARG 49 CO 0.11 -0.16 0.31 0.74 0.02 0.00 0.00 175.30 176.32 1a78 h PHE 50 N 8.27 0.00 -1.39 -0.53 0.04 -0.98 0.13 116.94 122.48 1a78 h PHE 50 Ca -0.36 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.24 1a78 h PHE 50 Cb 1.19 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 39.09 1a78 h PHE 50 CO 0.74 0.41 -0.53 0.34 -0.60 0.00 0.00 178.31 178.66 1a78 s ASP 51 N -5.83 -0.43 -0.27 2.17 2.15 -0.79 -0.29 116.67 113.37 1a78 s ASP 51 Ca -0.08 -0.94 -0.21 0.00 0.43 0.00 0.00 52.55 51.75 1a78 s ASP 51 Cb -0.01 1.41 0.08 0.00 -0.30 0.00 0.00 42.92 44.09 1a78 s ASP 51 CO 0.28 -0.23 0.72 -0.22 -0.17 0.00 0.00 175.17 175.55 1a78 s LEU 52 N 1.85 -0.83 -1.50 -1.34 2.96 0.28 -4.80 118.68 115.31 1a78 s LEU 52 Ca 0.15 1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1a78 s LEU 52 Cb -0.09 2.42 0.00 0.00 0.50 0.00 0.00 46.19 49.02 1a78 s LEU 52 CO -0.10 -0.24 0.08 1.41 -1.32 0.00 0.00 176.35 176.18 1a78 n HIS 53 N 3.37 -1.27 -0.89 5.38 8.25 -1.26 -1.52 115.22 127.27 1a78 n HIS 53 Ca -0.17 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1a78 n HIS 53 Cb 0.57 -3.59 0.00 0.00 1.12 0.00 0.00 29.99 28.09 1a78 n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a78 n GLY 54 N -1.00 0.62 3.62 -1.41 0.00 -1.26 -5.03 105.19 100.73 1a78 n GLY 54 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1a78 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a78 s ASP 55 N -2.18 4.96 -0.13 1.61 1.01 -0.58 -5.09 116.67 116.28 1a78 s ASP 55 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1a78 s ASP 55 Cb 0.00 -1.39 0.02 0.00 1.01 0.00 0.00 42.92 42.56 1a78 s ASP 55 CO 0.00 0.35 -0.12 -0.69 0.21 0.00 0.00 175.17 174.92 1a78 s VAL 56 N -0.71 1.36 -1.28 -1.27 1.01 -1.26 -0.56 120.40 117.70 1a78 s VAL 56 Ca 0.11 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1a78 s VAL 56 Cb -0.11 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1a78 s VAL 56 CO 0.02 0.42 0.62 0.59 0.00 0.00 0.00 175.10 176.75 1a78 n ASN 57 N 4.80 -2.34 -3.98 3.32 5.03 0.60 -4.97 115.26 117.71 1a78 n ASN 57 Ca -0.15 -0.97 -0.16 0.00 0.87 0.00 0.00 54.58 54.17 1a78 n ASN 57 Cb 0.50 -3.42 -0.14 0.00 -1.02 0.00 0.00 39.78 35.70 1a78 n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1a78 s LYS 58 N -6.19 0.50 -0.23 3.52 2.20 -0.13 -4.69 119.74 114.72 1a78 s LYS 58 Ca 0.18 -0.28 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 1a78 s LYS 58 Cb -0.06 -0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 35.76 1a78 s LYS 58 CO 0.86 0.12 0.44 0.42 -0.36 0.00 0.00 175.35 176.83 1a78 s ILE 59 N -0.28 5.15 -0.21 5.43 1.01 -1.13 -1.00 121.20 130.16 1a78 s ILE 59 Ca 0.01 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 1a78 s ILE 59 Cb -0.03 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1a78 s ILE 59 CO -0.00 0.18 -0.11 -0.69 0.00 0.00 0.00 174.94 174.32 1a78 s VAL 60 N 1.75 2.67 0.17 2.92 1.01 0.45 -0.49 120.40 128.87 1a78 s VAL 60 Ca 0.19 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1a78 s VAL 60 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1a78 s VAL 60 CO 0.09 0.39 0.08 0.00 0.00 0.00 0.00 175.10 175.66 1a78 s ASN 62 N -3.02 -0.07 0.38 0.00 2.47 -0.57 -1.52 114.94 112.61 1a78 s ASN 62 Ca 0.30 -0.15 0.08 0.00 0.42 0.00 0.00 52.86 53.51 1a78 s ASN 62 Cb -0.10 0.19 -0.07 0.00 -1.45 0.00 0.00 41.25 39.82 1a78 s ASN 62 CO 0.21 -0.35 -0.01 -0.94 -3.72 0.00 0.00 177.10 172.30 1a78 s SER 63 N -2.94 3.92 -0.01 -4.21 1.04 -1.26 0.60 113.70 110.84 1a78 s SER 63 Ca 0.14 -1.23 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 1a78 s SER 63 Cb 0.04 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.76 1a78 s SER 63 CO -0.03 -0.34 0.01 -0.75 0.98 0.00 0.00 173.24 173.11 1a78 s LYS 64 N -3.69 -0.01 -0.09 4.02 2.20 0.08 -1.58 119.74 120.67 1a78 s LYS 64 Ca 0.35 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 1a78 s LYS 64 Cb 0.05 -0.07 0.04 0.00 -1.51 0.00 0.00 37.83 36.34 1a78 s LYS 64 CO 0.18 -0.05 0.03 -2.00 -0.36 0.00 0.00 175.35 173.16 1a78 s GLU 65 N 0.30 0.33 -1.32 4.03 2.12 -0.58 -0.87 118.70 122.71 1a78 s GLU 65 Ca -0.03 0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 1a78 s GLU 65 Cb -0.04 -1.06 0.01 0.00 0.26 0.00 0.00 34.13 33.30 1a78 s GLU 65 CO -0.01 -0.39 0.78 0.00 -0.54 0.00 0.00 175.26 175.10 1a78 n ALA 66 N 5.20 -1.90 -1.15 6.30 0.00 -0.62 -1.07 120.51 127.27 1a78 n ALA 66 Ca -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1a78 n ALA 66 Cb 0.50 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1a78 n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a78 n ASP 67 N -3.04 -4.45 -4.08 0.00 8.00 -0.40 -5.00 116.55 107.58 1a78 n ASP 67 Ca -0.25 0.13 -0.32 0.00 0.71 0.00 0.00 54.79 55.06 1a78 n ASP 67 Cb 0.66 -2.41 -0.16 0.00 -0.02 0.00 0.00 41.12 39.19 1a78 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a78 s ALA 68 N -1.91 2.23 0.32 2.24 0.00 -0.23 -5.11 121.76 119.30 1a78 s ALA 68 Ca 0.00 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1a78 s ALA 68 Cb 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 23.12 21.81 1a78 s ALA 68 CO 0.00 -0.49 1.32 -1.58 0.00 0.00 0.00 175.76 175.01 1a78 s TRP 69 N 1.32 3.05 0.00 0.00 0.52 -1.26 -1.52 118.94 121.04 1a78 s TRP 69 Ca 0.03 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.54 1a78 s TRP 69 Cb -0.14 -3.69 0.00 0.00 -1.15 0.00 0.00 33.47 28.49 1a78 s TRP 69 CO -0.11 -1.91 0.00 0.41 0.02 0.00 0.00 176.95 175.36 1a78 n GLY 70 N 0.91 0.73 3.73 0.98 0.00 -0.62 -4.96 105.19 105.96 1a78 n GLY 70 Ca 0.01 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 1a78 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a78 s SER 71 N -1.00 6.89 0.48 1.61 0.01 -1.26 -4.84 113.70 115.58 1a78 s SER 71 Ca 0.00 1.06 -0.21 0.00 1.31 0.00 0.00 55.95 58.11 1a78 s SER 71 Cb 0.00 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 1a78 s SER 71 CO 0.00 -0.04 1.06 -1.61 0.41 0.00 0.00 173.24 173.07 1a78 s GLU 72 N 0.56 3.79 -0.22 12.44 2.02 -1.26 -4.68 118.70 131.35 1a78 s GLU 72 Ca 0.33 1.46 0.01 0.00 0.02 0.00 0.00 54.97 56.79 1a78 s GLU 72 Cb -0.17 -2.18 0.05 0.00 0.10 0.00 0.00 34.13 31.93 1a78 s GLU 72 CO 0.15 -0.46 -0.09 -1.14 0.02 0.00 0.00 175.26 173.75 1a78 s GLN 73 N -3.07 1.95 0.12 1.61 0.74 -0.58 -4.98 119.66 115.45 1a78 s GLN 73 Ca 0.66 -0.97 -0.10 0.00 0.05 0.00 0.00 55.36 55.00 1a78 s GLN 73 Cb -0.19 -2.55 -0.06 0.00 1.10 0.00 0.00 33.01 31.30 1a78 s GLN 73 CO 0.23 -0.50 0.45 1.03 -0.55 0.00 0.00 175.29 175.95 1a78 s ARG 74 N 1.35 3.79 -0.04 1.67 3.00 -1.26 -1.26 118.95 126.19 1a78 s ARG 74 Ca -0.04 0.22 0.04 0.00 0.00 0.00 0.00 55.73 55.95 1a78 s ARG 74 Cb -0.18 -2.92 -0.00 0.00 0.00 0.00 0.00 34.95 31.85 1a78 s ARG 74 CO -0.07 0.50 -0.16 -1.21 0.00 0.00 0.00 175.30 174.36 1a78 s GLU 75 N -2.13 1.66 0.06 3.54 0.41 0.35 -5.01 118.70 117.59 1a78 s GLU 75 Ca 0.37 -0.56 -0.17 0.00 -0.41 0.00 0.00 54.97 54.20 1a78 s GLU 75 Cb -0.14 -1.46 -0.16 0.00 -1.78 0.00 0.00 34.13 30.60 1a78 s GLU 75 CO 0.19 0.22 1.27 0.93 -0.49 0.00 0.00 175.26 177.39 1a78 h GLU 76 N 6.27 0.59 -6.50 1.61 5.08 -1.93 -2.98 114.58 116.72 1a78 h GLU 76 Ca -0.33 -0.45 -0.53 0.00 -1.00 0.00 0.00 59.36 57.06 1a78 h GLU 76 Cb 1.17 0.08 0.04 0.00 0.50 0.00 0.00 28.75 30.55 1a78 h GLU 76 CO 0.48 1.07 1.14 0.54 -1.00 0.00 0.00 179.01 181.24 1a78 s VAL 77 N -3.80 2.53 -0.42 3.13 0.11 -1.26 -4.88 120.40 115.81 1a78 s VAL 77 Ca -0.12 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 1a78 s VAL 77 Cb 0.07 -3.00 0.23 0.00 -1.53 0.00 0.00 36.38 32.14 1a78 s VAL 77 CO 0.84 -0.00 0.49 0.33 -3.33 0.00 0.00 175.10 173.43 1a78 n PHE 78 N 5.87 -0.14 0.44 1.54 7.35 -1.26 -4.55 117.46 126.72 1a78 n PHE 78 Ca 0.18 -3.55 0.00 0.00 -0.76 0.00 0.00 57.45 53.32 1a78 n PHE 78 Cb 0.38 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.01 1a78 n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1a78 n PRO 79 N 1.78 0.35 -4.23 -7.13 -0.04 -1.26 -4.82 135.00 119.65 1a78 n PRO 79 Ca 0.24 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.47 1a78 n PRO 79 Cb 0.50 -1.13 -0.07 0.00 -0.04 0.00 0.00 33.50 32.76 1a78 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a78 s PHE 80 N -1.24 2.68 -0.14 0.54 0.08 -1.26 -5.03 117.98 113.61 1a78 s PHE 80 Ca 0.00 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 1a78 s PHE 80 Cb 0.00 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1a78 s PHE 80 CO 0.00 0.49 0.42 1.14 -0.10 0.00 0.00 175.22 177.17 1a78 s GLN 81 N -3.75 0.53 0.42 0.44 -2.07 -1.26 -5.12 119.66 108.86 1a78 s GLN 81 Ca 0.34 0.49 -0.24 0.00 -1.82 0.00 0.00 55.36 54.13 1a78 s GLN 81 Cb -0.04 0.26 -0.11 0.00 -1.09 0.00 0.00 33.01 32.03 1a78 s GLN 81 CO 0.21 -0.08 0.98 1.04 -1.32 0.00 0.00 175.29 176.12 1a78 n GLN 82 N 2.60 1.29 0.00 9.60 6.02 -1.26 -2.15 117.38 133.48 1a78 n GLN 82 Ca -0.14 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1a78 n GLN 82 Cb 0.57 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.82 1a78 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a78 n GLY 83 N 1.22 2.77 2.58 1.08 0.00 -0.31 -4.84 105.19 107.69 1a78 n GLY 83 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1a78 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a78 n ALA 84 N -0.18 -0.70 -3.07 4.61 0.00 -0.91 -4.71 120.51 115.55 1a78 n ALA 84 Ca 0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 53.44 51.91 1a78 n ALA 84 Cb 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 1a78 n ALA 84 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a78 s GLU 85 N -4.73 3.49 0.19 0.00 2.02 -1.26 -1.11 118.70 117.29 1a78 s GLU 85 Ca 0.49 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.79 1a78 s GLU 85 Cb -0.02 -2.76 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 1a78 s GLU 85 CO 0.34 0.19 0.46 0.08 0.02 0.00 0.00 175.26 176.35 1a78 s VAL 86 N 0.45 5.07 -0.35 2.63 1.01 -0.01 -4.94 120.40 124.24 1a78 s VAL 86 Ca -0.07 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1a78 s VAL 86 Cb -0.15 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1a78 s VAL 86 CO 0.04 -0.05 0.28 -0.04 0.00 0.00 0.00 175.10 175.33 1a78 s MET 87 N -2.85 0.56 0.02 2.72 -1.94 -1.26 -1.61 119.30 114.94 1a78 s MET 87 Ca 0.44 -1.02 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1a78 s MET 87 Cb -0.12 -1.00 -0.03 0.00 2.01 0.00 0.00 34.83 35.69 1a78 s MET 87 CO 0.24 -1.19 -0.08 0.08 -0.01 0.00 0.00 175.02 174.06 1a78 s VAL 88 N 1.34 3.52 -0.08 -6.03 1.01 -0.49 -2.92 120.40 116.75 1a78 s VAL 88 Ca 0.17 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1a78 s VAL 88 Cb -0.19 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1a78 s VAL 88 CO -0.04 0.37 -0.12 0.00 0.00 0.00 0.00 175.10 175.30 1a78 s PHE 90 N 0.84 3.07 -0.22 0.00 0.08 0.82 -1.61 117.98 120.97 1a78 s PHE 90 Ca -0.11 -1.50 -0.09 0.00 0.12 0.00 0.00 56.93 55.35 1a78 s PHE 90 Cb -0.15 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1a78 s PHE 90 CO 0.02 -0.71 0.11 -2.00 -0.10 0.00 0.00 175.22 172.53 1a78 s GLU 91 N 1.34 3.95 -0.30 0.44 2.12 -0.07 -1.43 118.70 124.75 1a78 s GLU 91 Ca 0.00 -0.34 -0.20 0.00 0.36 0.00 0.00 54.97 54.79 1a78 s GLU 91 Cb -0.17 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1a78 s GLU 91 CO -0.04 0.08 0.63 -0.47 -0.54 0.00 0.00 175.26 174.92 1a78 s TYR 92 N 0.95 3.22 0.11 5.30 5.04 0.17 -1.10 117.35 131.04 1a78 s TYR 92 Ca 0.05 0.62 0.10 0.00 -2.44 0.00 0.00 57.07 55.40 1a78 s TYR 92 Cb -0.14 -2.96 -0.04 0.00 0.35 0.00 0.00 41.96 39.17 1a78 s TYR 92 CO 0.03 -0.45 -0.25 -0.65 -1.34 0.00 0.00 175.55 172.89 1a78 s GLN 93 N 2.59 1.39 0.53 4.97 -0.21 0.32 0.15 119.66 129.40 1a78 s GLN 93 Ca 0.25 -1.25 0.18 0.00 0.02 0.00 0.00 55.36 54.57 1a78 s GLN 93 Cb -0.15 -1.77 1.36 0.00 1.00 0.00 0.00 33.01 33.46 1a78 s GLN 93 CO 0.11 0.42 2.16 1.79 -2.12 0.00 0.00 175.29 177.66 1a78 h THR 94 N 4.01 0.92 0.16 -0.19 1.35 -1.96 -2.86 112.91 114.34 1a78 h THR 94 Ca -0.49 -0.02 -0.32 0.00 -0.55 0.00 0.00 66.41 65.03 1a78 h THR 94 Cb 1.17 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1a78 h THR 94 CO 0.40 0.01 -1.61 0.06 -0.25 0.00 0.00 175.52 174.13 1a78 h GLN 95 N 0.00 0.34 -3.70 4.72 3.07 -1.96 -3.43 115.11 114.16 1a78 h GLN 95 Ca -0.00 -0.59 -0.11 0.00 0.09 0.00 0.00 58.65 58.04 1a78 h GLN 95 Cb 0.01 0.22 -0.08 0.00 0.08 0.00 0.00 27.48 27.71 1a78 h GLN 95 CO 0.00 1.28 -0.09 -1.59 0.09 0.00 0.00 178.83 178.52 1a78 s LYS 96 N -2.54 1.74 -0.17 0.06 0.00 -1.08 -0.90 119.74 116.86 1a78 s LYS 96 Ca -0.17 -1.42 0.00 0.00 0.00 0.00 0.00 55.97 54.38 1a78 s LYS 96 Cb 0.05 0.48 0.01 0.00 0.00 0.00 0.00 37.83 38.37 1a78 s LYS 96 CO 0.82 -0.74 -0.17 0.42 0.00 0.00 0.00 175.35 175.69 1a78 s ILE 97 N -3.53 2.45 -0.19 3.79 1.01 -0.36 -0.52 121.20 123.85 1a78 s ILE 97 Ca 0.24 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1a78 s ILE 97 Cb -0.01 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1a78 s ILE 97 CO 0.13 0.52 0.42 -0.63 0.00 0.00 0.00 174.94 175.38 1a78 s ILE 98 N 1.02 5.18 -0.20 2.92 1.01 -0.26 -0.92 121.20 129.95 1a78 s ILE 98 Ca -0.02 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.35 1a78 s ILE 98 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1a78 s ILE 98 CO -0.04 0.25 0.02 -0.63 0.00 0.00 0.00 174.94 174.54 1a78 s ILE 99 N 1.26 4.15 -0.04 2.92 1.09 0.14 -0.89 121.20 129.83 1a78 s ILE 99 Ca 0.21 -0.24 0.04 0.00 -1.10 0.00 0.00 60.65 59.55 1a78 s ILE 99 Cb -0.15 -2.89 -0.00 0.00 -1.06 0.00 0.00 42.46 38.37 1a78 s ILE 99 CO 0.08 0.42 -0.16 -0.54 -0.10 0.00 0.00 174.94 174.65 1a78 s LYS 100 N 0.96 1.63 0.25 2.79 1.02 -0.63 -1.15 119.74 124.60 1a78 s LYS 100 Ca 0.02 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1a78 s LYS 100 Cb -0.14 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1a78 s LYS 100 CO 0.02 0.21 0.05 -0.06 -0.92 0.00 0.00 175.35 174.66 1a78 s PHE 101 N 0.09 2.84 -0.08 3.18 0.08 -0.22 -1.46 117.98 122.41 1a78 s PHE 101 Ca -0.04 -0.18 0.28 0.00 0.12 0.00 0.00 56.93 57.12 1a78 s PHE 101 Cb -0.11 -1.28 1.38 0.00 -0.57 0.00 0.00 43.02 42.44 1a78 s PHE 101 CO 0.02 0.58 1.86 0.66 -0.10 0.00 0.00 175.22 178.24 1a78 h SER 102 N 1.89 0.00 0.50 1.36 4.64 -1.85 -0.94 113.55 119.16 1a78 h SER 102 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1a78 h SER 102 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1a78 h SER 102 CO 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 1a78 h SER 103 N 0.00 0.00 0.00 4.97 4.64 -1.94 -3.45 113.55 117.77 1a78 h SER 103 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a78 h SER 103 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1a78 h SER 103 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a78 n GLY 104 N -0.49 0.17 3.78 -0.77 0.00 -0.36 -5.06 105.19 102.46 1a78 n GLY 104 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1a78 n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a78 s ASP 105 N -2.28 7.38 0.00 1.61 1.01 -1.25 -4.90 116.67 118.23 1a78 s ASP 105 Ca 0.00 1.79 -0.09 0.00 0.71 0.00 0.00 52.55 54.96 1a78 s ASP 105 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1a78 s ASP 105 CO 0.00 0.02 0.17 -1.58 0.21 0.00 0.00 175.17 173.99 1a78 s GLN 106 N -1.77 0.52 -0.00 8.23 0.74 -1.26 -1.05 119.66 125.06 1a78 s GLN 106 Ca 0.46 -0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 1a78 s GLN 106 Cb -0.20 0.22 0.10 0.00 1.10 0.00 0.00 33.01 34.23 1a78 s GLN 106 CO 0.25 -0.13 0.90 -0.59 -0.55 0.00 0.00 175.29 175.18 1a78 s PHE 107 N -1.38 -0.32 0.30 1.67 -0.12 -0.30 -5.00 117.98 112.82 1a78 s PHE 107 Ca -0.15 0.18 0.09 0.00 -0.05 0.00 0.00 56.93 57.00 1a78 s PHE 107 Cb -0.07 0.54 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 1a78 s PHE 107 CO 0.02 -0.55 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.99 1a78 s SER 108 N -2.51 3.31 0.06 1.98 1.04 -1.26 0.26 113.70 116.59 1a78 s SER 108 Ca 0.06 -1.15 0.08 0.00 0.48 0.00 0.00 55.95 55.42 1a78 s SER 108 Cb -0.01 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 1a78 s SER 108 CO -0.08 -0.19 -0.21 0.12 0.98 0.00 0.00 173.24 173.85 1a78 s PHE 109 N -2.74 1.86 0.28 5.02 5.36 -0.09 -4.95 117.98 122.73 1a78 s PHE 109 Ca 0.30 -0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 55.67 1a78 s PHE 109 Cb 0.01 -1.09 -0.09 0.00 -0.34 0.00 0.00 43.02 41.51 1a78 s PHE 109 CO 0.14 0.13 0.82 -1.25 -1.46 0.00 0.00 175.22 173.60 1a78 s PRO 110 N -1.37 4.34 -0.18 10.12 0.04 -1.26 -1.22 135.00 145.47 1a78 s PRO 110 Ca 0.08 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1a78 s PRO 110 Cb -0.09 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1a78 s PRO 110 CO 0.02 0.29 1.03 0.08 0.04 0.00 0.00 177.00 178.47 1a78 s VAL 111 N -1.66 4.72 -0.40 -0.36 1.01 -0.08 -4.84 120.40 118.79 1a78 s VAL 111 Ca 0.48 2.03 0.22 0.00 0.00 0.00 0.00 61.98 64.71 1a78 s VAL 111 Cb -0.16 -4.31 -0.21 0.00 0.00 0.00 0.00 36.38 31.70 1a78 s VAL 111 CO 0.21 -0.11 0.78 0.54 0.00 0.00 0.00 175.10 176.53 1a78 n ARG 112 N 5.81 0.42 -3.55 2.72 1.74 -1.26 -4.79 116.66 117.74 1a78 n ARG 112 Ca 0.11 -0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 1a78 n ARG 112 Cb 0.47 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 1a78 n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1a78 s LYS 113 N -3.31 0.13 0.16 5.56 2.20 -1.26 -5.12 119.74 118.11 1a78 s LYS 113 Ca -0.01 -0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 55.29 1a78 s LYS 113 Cb 0.14 -1.48 -0.09 0.00 -1.51 0.00 0.00 37.83 34.90 1a78 s LYS 113 CO 0.86 -0.71 1.39 0.08 -0.36 0.00 0.00 175.35 176.61 1a78 s VAL 114 N 2.22 3.12 -0.04 4.02 1.01 -1.26 -5.01 120.40 124.46 1a78 s VAL 114 Ca 0.05 0.86 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1a78 s VAL 114 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1a78 s VAL 114 CO -0.14 0.10 -0.18 -0.76 0.00 0.00 0.00 175.10 174.12 1a78 s LEU 115 N 0.52 2.50 0.45 3.92 1.43 -1.26 -5.00 118.68 121.24 1a78 s LEU 115 Ca 0.62 -0.29 0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1a78 s LEU 115 Cb -0.38 -1.48 1.07 0.00 0.03 0.00 0.00 46.19 45.43 1a78 s LEU 115 CO 0.35 0.34 1.98 1.55 0.23 0.00 0.00 176.35 180.80 1a78 h PRO 116 N 5.38 0.00 -2.74 1.29 0.13 -1.95 -3.45 132.00 130.66 1a78 h PRO 116 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1a78 h PRO 116 Cb 1.14 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1a78 h PRO 116 CO 0.49 0.20 0.16 -1.54 -0.23 0.00 0.00 178.00 177.08 1a78 s SER 117 N -6.76 -0.55 -0.33 1.44 1.04 -1.26 -4.27 113.70 103.01 1a78 s SER 117 Ca -0.03 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 1a78 s SER 117 Cb 0.15 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 1a78 s SER 117 CO 0.67 -0.83 0.19 -0.63 0.98 0.00 0.00 173.24 173.62 1a78 s ILE 118 N -2.91 4.85 0.01 -1.02 1.01 0.47 -4.80 121.20 118.81 1a78 s ILE 118 Ca -0.03 -0.41 0.11 0.00 0.00 0.00 0.00 60.65 60.32 1a78 s ILE 118 Cb -0.01 -3.51 -0.15 0.00 0.01 0.00 0.00 42.46 38.80 1a78 s ILE 118 CO -0.05 -0.00 1.15 1.55 0.00 0.00 0.00 174.94 177.59 1a78 h PRO 119 N 8.42 0.00 -6.76 2.79 0.13 -1.86 0.79 132.00 135.51 1a78 h PRO 119 Ca -0.31 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.13 1a78 h PRO 119 Cb 1.14 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.04 1a78 h PRO 119 CO 0.63 0.73 -0.86 0.12 -0.23 0.00 0.00 178.00 178.40 1a78 s PHE 120 N -2.76 2.38 -0.14 1.56 5.36 -0.56 -1.04 117.98 122.78 1a78 s PHE 120 Ca 0.00 -0.36 -0.10 0.00 -0.96 0.00 0.00 56.93 55.51 1a78 s PHE 120 Cb 0.09 -1.36 0.04 0.00 -0.34 0.00 0.00 43.02 41.45 1a78 s PHE 120 CO 0.80 0.23 0.35 -1.17 -1.46 0.00 0.00 175.22 173.98 1a78 s LEU 121 N -1.57 0.35 0.04 6.12 0.20 -0.75 -0.99 118.68 122.08 1a78 s LEU 121 Ca 0.13 0.74 -0.03 0.00 0.69 0.00 0.00 54.13 55.67 1a78 s LEU 121 Cb -0.10 1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 46.81 1a78 s LEU 121 CO 0.04 -0.15 0.02 -0.94 -0.29 0.00 0.00 176.35 175.03 1a78 s SER 122 N 0.80 0.33 0.20 3.68 1.04 -0.58 -0.33 113.70 118.84 1a78 s SER 122 Ca -0.05 -0.76 0.10 0.00 0.48 0.00 0.00 55.95 55.72 1a78 s SER 122 Cb -0.06 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1a78 s SER 122 CO -0.06 -0.53 -0.19 -0.76 0.98 0.00 0.00 173.24 172.68 1a78 s LEU 123 N -2.44 2.49 -0.05 2.42 1.43 -0.61 -0.91 118.68 121.01 1a78 s LEU 123 Ca -0.00 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1a78 s LEU 123 Cb 0.02 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.34 1a78 s LEU 123 CO -0.07 -0.01 0.13 -1.61 0.23 0.00 0.00 176.35 175.01 1a78 s GLU 124 N -3.06 0.12 0.00 1.70 2.02 -0.50 -3.19 118.70 115.79 1a78 s GLU 124 Ca 0.21 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.43 1a78 s GLU 124 Cb -0.05 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.16 1a78 s GLU 124 CO 0.09 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1a78 n GLY 125 N 3.42 0.03 3.20 -1.39 0.00 -1.26 -2.11 105.19 107.08 1a78 n GLY 125 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1a78 n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a78 s LEU 126 N 0.00 3.09 -0.57 0.99 2.96 -1.26 -4.42 118.68 119.46 1a78 s LEU 126 Ca 0.00 -0.82 -0.27 0.00 -0.22 0.00 0.00 54.13 52.82 1a78 s LEU 126 Cb 0.00 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1a78 s LEU 126 CO 0.00 -0.11 1.57 0.00 -1.32 0.00 0.00 176.35 176.50 1a78 s ALA 127 N 1.33 2.62 0.31 5.97 0.00 -0.24 -4.79 121.76 126.96 1a78 s ALA 127 Ca 0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 1a78 s ALA 127 Cb -0.16 -4.17 -0.10 0.00 0.00 0.00 0.00 23.12 18.69 1a78 s ALA 127 CO -0.05 -3.23 1.32 0.12 0.00 0.00 0.00 175.76 173.92 1a78 s PHE 128 N 7.02 3.06 -0.15 0.00 2.19 -1.26 -0.16 117.98 128.67 1a78 s PHE 128 Ca 0.58 1.35 -0.11 0.00 0.33 0.00 0.00 56.93 59.08 1a78 s PHE 128 Cb -0.12 -3.69 -0.07 0.00 -1.31 0.00 0.00 43.02 37.83 1a78 s PHE 128 CO 0.23 -1.97 -0.25 1.63 1.83 0.00 0.00 175.22 176.70 1a78 n LYS 129 N 1.12 0.40 -3.61 10.12 4.01 -0.15 -4.88 118.16 125.18 1a78 n LYS 129 Ca 0.01 0.17 -0.15 0.00 -0.51 0.00 0.00 58.31 57.83 1a78 n LYS 129 Cb 0.42 -1.18 -0.06 0.00 -0.51 0.00 0.00 35.03 33.69 1a78 n LYS 129 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1a78 s SER 130 N -6.42 -0.43 -0.05 4.39 1.04 -1.01 -5.02 113.70 106.21 1a78 s SER 130 Ca -0.25 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1a78 s SER 130 Cb 0.07 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1a78 s SER 130 CO 0.33 -0.63 -0.10 -0.63 0.98 0.00 0.00 173.24 173.19 1a78 s ILE 131 N -1.86 0.93 0.09 -1.02 1.01 -1.26 -1.65 121.20 117.44 1a78 s ILE 131 Ca -0.09 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1a78 s ILE 131 Cb -0.01 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1a78 s ILE 131 CO 0.03 0.30 -0.10 -0.89 0.00 0.00 0.00 174.94 174.27 1a78 s THR 132 N 0.49 0.94 0.06 2.92 2.01 -0.19 -4.98 115.64 116.90 1a78 s THR 132 Ca -0.09 -1.57 0.06 0.00 0.31 0.00 0.00 61.69 60.40 1a78 s THR 132 Cb -0.13 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1a78 s THR 132 CO 0.02 -0.51 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.38 1a78 s THR 133 N -2.24 1.36 0.00 -0.82 2.01 -1.26 -1.34 115.64 113.34 1a78 s THR 133 Ca 0.04 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1a78 s THR 133 Cb -0.04 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1a78 s THR 133 CO 0.00 -0.04 0.00 -0.62 -0.69 0.00 0.00 174.62 173.28