#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p80 s ASN 2 N 0.00 3.89 -0.12 1.62 2.47 -1.26 -0.70 114.94 120.85 2p80 s ASN 2 Ca 0.00 -0.27 0.01 0.00 0.42 0.00 0.00 52.86 53.02 2p80 s ASN 2 Cb 0.00 -0.75 0.02 0.00 -1.45 0.00 0.00 41.25 39.07 2p80 s ASN 2 CO 0.00 0.32 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.93 2p80 s ILE 3 N -0.77 1.49 -0.12 -5.21 1.09 -0.32 -4.96 121.20 112.39 2p80 s ILE 3 Ca 0.12 -0.62 -0.14 0.00 -1.10 0.00 0.00 60.65 58.91 2p80 s ILE 3 Cb -0.11 -1.37 -0.05 0.00 -1.06 0.00 0.00 42.46 39.88 2p80 s ILE 3 CO 0.02 0.44 0.31 -0.70 -0.10 0.00 0.00 174.94 174.90 2p80 s GLU 4 N 1.10 4.11 -0.04 2.79 2.12 -1.26 -0.51 118.70 127.01 2p80 s GLU 4 Ca -0.04 0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.49 2p80 s GLU 4 Cb -0.14 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2p80 s GLU 4 CO -0.03 0.37 -0.19 0.08 -0.54 0.00 0.00 175.26 174.95 2p80 s VAL 5 N 0.04 1.57 0.01 3.70 1.01 0.55 -4.54 120.40 122.74 2p80 s VAL 5 Ca 0.18 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2p80 s VAL 5 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2p80 s VAL 5 CO 0.06 0.45 0.02 -1.00 0.00 0.00 0.00 175.10 174.63 2p80 s HIS 6 N -0.07 3.12 -0.24 5.22 3.76 0.40 -0.38 115.29 127.10 2p80 s HIS 6 Ca -0.02 0.09 -0.07 0.00 -0.15 0.00 0.00 55.06 54.91 2p80 s HIS 6 Cb -0.11 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2p80 s HIS 6 CO 0.02 0.49 0.07 -1.64 -0.85 0.00 0.00 174.74 172.83 2p80 s MET 7 N -1.73 3.71 0.09 1.40 -1.94 -0.62 -0.47 119.30 119.74 2p80 s MET 7 Ca 0.22 -0.45 0.05 0.00 -1.71 0.00 0.00 55.69 53.79 2p80 s MET 7 Cb -0.12 -3.31 -0.03 0.00 2.01 0.00 0.00 34.83 33.38 2p80 s MET 7 CO 0.13 -0.12 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.38 2p80 s LEU 8 N 1.42 2.34 0.30 -0.03 1.43 -0.32 -1.99 118.68 121.83 2p80 s LEU 8 Ca 0.05 -0.72 0.14 0.00 -1.03 0.00 0.00 54.13 52.58 2p80 s LEU 8 Cb -0.15 -0.47 0.39 0.00 0.03 0.00 0.00 46.19 46.00 2p80 s LEU 8 CO 0.04 -0.14 1.60 0.78 0.23 0.00 0.00 176.35 178.86 2p80 h ASN 9 N 3.89 0.00 -3.62 2.29 2.35 -1.92 -0.44 115.58 118.12 2p80 h ASN 9 Ca -0.40 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.22 2p80 h ASN 9 Cb 1.19 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.31 2p80 h ASN 9 CO 0.46 0.54 -0.30 -0.54 -1.65 0.00 0.00 177.43 175.94 2p80 s LYS 10 N -3.42 0.40 0.00 0.81 -0.14 -1.26 -0.01 119.74 116.12 2p80 s LYS 10 Ca 0.00 0.60 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 2p80 s LYS 10 Cb 0.11 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 2p80 s LYS 10 CO 0.73 -0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.64 2p80 n GLY 11 N 3.43 3.98 0.37 -3.33 0.00 0.16 -4.96 105.19 104.84 2p80 n GLY 11 Ca -0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 2p80 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 h ALA 12 N 1.59 1.22 -0.03 4.61 0.00 -2.00 -2.63 119.26 122.01 2p80 h ALA 12 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2p80 h ALA 12 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.40 2p80 h ALA 12 CO 0.00 0.65 0.00 0.39 0.00 0.00 0.00 179.25 180.29 2p80 n GLU 13 N -4.37 1.55 0.00 0.00 -0.58 -1.26 -5.04 120.64 110.94 2p80 n GLU 13 Ca 0.11 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 2p80 n GLU 13 Cb 0.04 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2p80 n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p80 n GLY 14 N 1.13 0.48 3.84 0.62 0.00 -0.99 -5.07 105.19 105.20 2p80 n GLY 14 Ca 0.19 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 2p80 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 15 N -1.58 3.24 -0.41 4.61 0.00 -1.26 -0.67 121.76 125.69 2p80 s ALA 15 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 2p80 s ALA 15 Cb 0.00 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2p80 s ALA 15 CO 0.00 0.27 0.51 -1.33 0.00 0.00 0.00 175.76 175.21 2p80 n MET 16 N -0.36 -2.45 -4.15 0.00 2.81 0.98 -4.86 117.12 109.10 2p80 n MET 16 Ca 0.04 2.11 -0.10 0.00 -1.81 0.00 0.00 57.70 57.95 2p80 n MET 16 Cb 0.53 -5.12 -0.10 0.00 -0.71 0.00 0.00 33.22 27.82 2p80 n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2p80 s VAL 17 N -2.31 0.56 -0.13 2.03 -7.23 -0.18 -3.81 120.40 109.34 2p80 s VAL 17 Ca 0.23 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.45 2p80 s VAL 17 Cb -0.06 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2p80 s VAL 17 CO 0.77 -0.90 0.09 -0.36 -0.31 0.00 0.00 175.10 174.39 2p80 s PHE 18 N -3.65 3.40 -0.15 2.82 0.08 -1.26 -1.18 117.98 118.04 2p80 s PHE 18 Ca 0.10 0.33 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 2p80 s PHE 18 Cb 0.06 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.59 2p80 s PHE 18 CO -0.06 0.50 -0.05 -1.21 -0.10 0.00 0.00 175.22 174.31 2p80 s GLU 19 N -0.54 1.32 0.76 0.44 2.02 0.38 -3.24 118.70 119.83 2p80 s GLU 19 Ca 0.11 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.57 2p80 s GLU 19 Cb -0.12 -1.86 0.05 0.00 0.10 0.00 0.00 34.13 32.30 2p80 s GLU 19 CO 0.02 -0.41 1.09 -1.25 0.02 0.00 0.00 175.26 174.73 2p80 s PRO 20 N 1.69 2.42 0.00 0.39 0.04 -1.26 -0.45 135.00 137.83 2p80 s PRO 20 Ca 0.02 0.68 0.18 0.00 0.04 0.00 0.00 61.00 61.92 2p80 s PRO 20 Cb -0.15 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.48 2p80 s PRO 20 CO -0.08 -1.40 0.98 0.00 0.04 0.00 0.00 177.00 176.55 2p80 n ALA 21 N -3.29 3.02 -4.03 8.56 0.00 -1.20 -4.80 120.51 118.78 2p80 n ALA 21 Ca 0.07 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.61 2p80 n ALA 21 Cb 0.56 -0.63 -0.16 0.00 0.00 0.00 0.00 19.45 19.21 2p80 n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2p80 s TYR 22 N -1.91 2.36 -0.15 0.00 5.04 -1.26 -0.33 117.35 121.10 2p80 s TYR 22 Ca 0.17 -1.42 0.01 0.00 -2.44 0.00 0.00 57.07 53.39 2p80 s TYR 22 Cb 0.15 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.81 2p80 s TYR 22 CO 0.38 -0.72 -0.17 0.42 -1.34 0.00 0.00 175.55 174.13 2p80 s ILE 23 N 1.42 1.74 -0.23 3.14 1.01 0.16 -4.98 121.20 123.45 2p80 s ILE 23 Ca 0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 2p80 s ILE 23 Cb -0.14 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 2p80 s ILE 23 CO -0.10 0.49 0.14 -0.75 0.00 0.00 0.00 174.94 174.72 2p80 s LYS 24 N 1.29 4.01 0.27 2.79 2.47 -1.26 -0.07 119.74 129.23 2p80 s LYS 24 Ca 0.02 -0.30 -0.04 0.00 -1.56 0.00 0.00 55.97 54.09 2p80 s LYS 24 Cb -0.13 -3.48 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 2p80 s LYS 24 CO -0.09 0.06 0.34 0.00 0.16 0.00 0.00 175.35 175.82 2p80 s ALA 25 N 1.04 0.70 0.24 3.13 0.00 0.09 -4.96 121.76 122.02 2p80 s ALA 25 Ca 0.07 -1.44 0.09 0.00 0.00 0.00 0.00 51.96 50.68 2p80 s ALA 25 Cb -0.14 1.24 -0.05 0.00 0.00 0.00 0.00 23.12 24.17 2p80 s ALA 25 CO 0.04 -0.73 -0.15 -0.80 0.00 0.00 0.00 175.76 174.12 2p80 s ASN 26 N -3.16 2.99 0.17 0.00 0.01 -1.26 -1.83 114.94 111.86 2p80 s ASN 26 Ca 0.32 -1.05 -0.34 0.00 -0.71 0.00 0.00 52.86 51.08 2p80 s ASN 26 Cb 0.02 -0.20 -0.14 0.00 0.41 0.00 0.00 41.25 41.34 2p80 s ASN 26 CO 0.15 -0.12 1.52 -2.65 -1.51 0.00 0.00 177.10 174.49 2p80 n PRO 27 N -0.50 2.03 0.00 -0.60 -0.02 -1.26 -1.32 135.00 133.33 2p80 n PRO 27 Ca -0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2p80 n PRO 27 Cb 0.61 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2p80 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p80 n GLY 28 N 3.10 2.03 3.77 -1.23 0.00 0.13 -4.98 105.19 108.01 2p80 n GLY 28 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2p80 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p80 s ASP 29 N -1.53 4.26 0.15 1.61 1.01 -0.43 -4.64 116.67 117.10 2p80 s ASP 29 Ca 0.00 1.52 0.11 0.00 0.71 0.00 0.00 52.55 54.88 2p80 s ASP 29 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2p80 s ASP 29 CO 0.00 -2.14 -0.25 0.42 0.21 0.00 0.00 175.17 173.41 2p80 s THR 30 N -3.01 2.38 -0.18 -1.27 -4.23 0.12 -1.75 115.64 107.70 2p80 s THR 30 Ca 0.61 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2p80 s THR 30 Cb -0.16 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.62 2p80 s THR 30 CO 0.56 0.03 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.80 2p80 s VAL 31 N -1.24 1.95 -0.27 2.29 1.01 0.11 -1.17 120.40 123.08 2p80 s VAL 31 Ca 0.17 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2p80 s VAL 31 Cb -0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2p80 s VAL 31 CO 0.08 0.46 0.10 -0.89 0.00 0.00 0.00 175.10 174.85 2p80 s THR 32 N 1.32 4.46 -0.28 3.92 2.01 0.34 0.22 115.64 127.63 2p80 s THR 32 Ca 0.04 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2p80 s THR 32 Cb -0.14 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2p80 s THR 32 CO -0.12 0.26 0.24 -0.36 -0.69 0.00 0.00 174.62 173.96 2p80 s PHE 33 N 1.62 3.23 -0.27 4.92 0.08 0.09 -0.33 117.98 127.33 2p80 s PHE 33 Ca 0.06 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 2p80 s PHE 33 Cb -0.16 -2.43 0.05 0.00 -0.57 0.00 0.00 43.02 39.91 2p80 s PHE 33 CO 0.05 -0.17 -0.06 0.42 -0.10 0.00 0.00 175.22 175.36 2p80 s ILE 34 N 1.83 2.65 -0.64 0.64 1.01 0.49 -1.51 121.20 125.66 2p80 s ILE 34 Ca 0.09 -1.37 -0.27 0.00 0.00 0.00 0.00 60.65 59.10 2p80 s ILE 34 Cb -0.16 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2p80 s ILE 34 CO 0.11 0.02 1.51 -2.16 0.00 0.00 0.00 174.94 174.41 2p80 s PRO 35 N 1.22 3.04 0.17 2.79 0.04 -1.26 -1.58 135.00 139.42 2p80 s PRO 35 Ca -0.05 0.24 -0.04 0.00 0.04 0.00 0.00 61.00 61.20 2p80 s PRO 35 Cb -0.19 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.16 2p80 s PRO 35 CO -0.04 -2.28 1.43 0.28 0.04 0.00 0.00 177.00 176.44 2p80 h VAL 36 N 6.41 1.34 -2.21 -0.36 2.07 -1.78 -3.43 116.25 118.29 2p80 h VAL 36 Ca -0.27 -2.00 -0.51 0.00 0.82 0.00 0.00 66.70 64.74 2p80 h VAL 36 Cb 1.10 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 2p80 h VAL 36 CO 1.23 0.61 -0.54 -1.81 0.02 0.00 0.00 177.57 177.08 2p80 s ASP 37 N -6.98 5.39 0.57 0.57 1.01 -1.12 -5.06 116.67 111.05 2p80 s ASP 37 Ca -0.07 -0.30 -0.08 0.00 0.71 0.00 0.00 52.55 52.81 2p80 s ASP 37 Cb 0.10 -1.33 -0.03 0.00 1.01 0.00 0.00 42.92 42.67 2p80 s ASP 37 CO 0.85 -0.03 0.93 -0.54 0.21 0.00 0.00 175.17 176.59 2p80 s LYS 38 N -3.80 3.44 0.00 8.23 3.01 -1.26 -4.46 119.74 124.90 2p80 s LYS 38 Ca 0.33 0.44 0.00 0.00 -1.01 0.00 0.00 55.97 55.73 2p80 s LYS 38 Cb -0.08 -2.21 0.00 0.00 -1.01 0.00 0.00 37.83 34.54 2p80 s LYS 38 CO 0.24 -0.49 0.00 0.41 0.51 0.00 0.00 175.35 176.02 2p80 n GLY 39 N -2.57 1.03 3.40 -3.33 0.00 -1.26 -4.96 105.19 97.49 2p80 n GLY 39 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2p80 n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p80 s HIS 40 N -2.00 2.05 0.07 1.61 3.76 -1.26 -4.81 115.29 114.71 2p80 s HIS 40 Ca 0.00 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.48 2p80 s HIS 40 Cb 0.00 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.73 2p80 s HIS 40 CO 0.00 0.50 0.10 0.27 -0.85 0.00 0.00 174.74 174.75 2p80 n ASN 41 N -0.13 -0.27 -3.83 1.40 6.94 -1.26 -0.98 115.26 117.13 2p80 n ASN 41 Ca -0.09 -1.34 -0.13 0.00 -0.02 0.00 0.00 54.58 53.00 2p80 n ASN 41 Cb 0.58 0.50 -0.13 0.00 -2.36 0.00 0.00 39.78 38.37 2p80 n ASN 41 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2p80 s VAL 42 N -2.54 -0.01 -0.10 3.53 -7.23 -1.26 -4.23 120.40 108.56 2p80 s VAL 42 Ca 0.05 0.04 -0.07 0.00 -1.81 0.00 0.00 61.98 60.18 2p80 s VAL 42 Cb -0.00 -0.14 0.04 0.00 0.56 0.00 0.00 36.38 36.84 2p80 s VAL 42 CO 0.04 0.01 0.26 -0.70 -0.31 0.00 0.00 175.10 174.40 2p80 s GLU 43 N 0.25 0.26 0.46 4.82 2.12 -0.10 -0.40 118.70 126.10 2p80 s GLU 43 Ca -0.02 0.46 -0.22 0.00 0.36 0.00 0.00 54.97 55.55 2p80 s GLU 43 Cb -0.03 0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.30 2p80 s GLU 43 CO -0.01 -0.10 1.09 -1.54 -0.54 0.00 0.00 175.26 174.16 2p80 s SER 44 N 0.73 6.35 -0.07 -1.70 1.04 -0.30 -1.10 113.70 118.65 2p80 s SER 44 Ca -0.05 2.10 -0.16 0.00 0.48 0.00 0.00 55.95 58.32 2p80 s SER 44 Cb -0.06 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.43 2p80 s SER 44 CO -0.04 -0.78 0.43 -0.63 0.98 0.00 0.00 173.24 173.20 2p80 s ILE 45 N -1.72 5.12 0.12 -1.02 1.01 -1.03 -4.80 121.20 118.87 2p80 s ILE 45 Ca 0.64 0.87 -0.35 0.00 0.00 0.00 0.00 60.65 61.81 2p80 s ILE 45 Cb -0.23 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.34 2p80 s ILE 45 CO 0.27 0.44 1.54 2.29 0.00 0.00 0.00 174.94 179.49 2p80 n LYS 46 N 2.87 1.88 -1.26 2.79 -0.00 -1.26 -1.24 118.16 121.95 2p80 n LYS 46 Ca -0.10 0.68 -0.09 0.00 -0.00 0.00 0.00 58.31 58.80 2p80 n LYS 46 Cb 0.52 -2.42 -0.04 0.00 -0.00 0.00 0.00 35.03 33.09 2p80 n LYS 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2p80 n ASP 47 N 3.45 -4.93 -1.70 -5.58 8.00 -1.26 -4.84 116.55 109.69 2p80 n ASP 47 Ca 0.18 0.22 -0.08 0.00 0.71 0.00 0.00 54.79 55.82 2p80 n ASP 47 Cb 0.26 -3.22 0.08 0.00 -0.02 0.00 0.00 41.12 38.22 2p80 n ASP 47 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2p80 n MET 48 N -1.59 2.29 -4.16 -1.24 2.81 -0.37 -4.94 117.12 109.92 2p80 n MET 48 Ca -0.09 -3.56 -0.12 0.00 -1.81 0.00 0.00 57.70 52.13 2p80 n MET 48 Cb 0.44 -1.71 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 2p80 n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2p80 s ILE 49 N -3.54 0.75 0.66 2.02 -4.36 -1.26 -0.89 121.20 114.58 2p80 s ILE 49 Ca 0.41 -1.77 -0.17 0.00 -0.26 0.00 0.00 60.65 58.86 2p80 s ILE 49 Cb 0.38 -1.48 -0.00 0.00 1.25 0.00 0.00 42.46 42.61 2p80 s ILE 49 CO -0.03 -0.74 1.19 -2.84 0.24 0.00 0.00 174.94 172.76 2p80 s PRO 50 N -3.32 2.63 0.07 0.37 0.02 -1.23 -4.92 135.00 128.62 2p80 s PRO 50 Ca 0.08 1.72 -0.08 0.00 0.02 0.00 0.00 61.00 62.73 2p80 s PRO 50 Cb 0.01 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.67 2p80 s PRO 50 CO -0.03 -1.44 0.56 0.39 -0.33 0.00 0.00 177.00 176.15 2p80 n GLU 51 N -2.16 -0.12 -0.66 5.54 1.02 -1.26 -1.58 120.64 121.42 2p80 n GLU 51 Ca 0.13 0.55 0.04 0.00 -0.02 0.00 0.00 57.16 57.86 2p80 n GLU 51 Cb 0.50 -0.81 0.28 0.00 -0.02 0.00 0.00 31.44 31.39 2p80 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p80 n GLY 52 N -1.13 3.99 3.89 0.62 0.00 -1.26 -5.00 105.19 106.29 2p80 n GLY 52 Ca 0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 2p80 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 53 N -2.92 3.50 0.25 4.61 0.00 -0.62 -4.96 121.76 121.62 2p80 s ALA 53 Ca 0.46 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 2p80 s ALA 53 Cb 0.38 -2.50 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 2p80 s ALA 53 CO 0.09 0.21 0.76 -1.21 0.00 0.00 0.00 175.76 175.61 2p80 s GLU 54 N -3.49 4.26 0.67 0.00 2.02 -1.26 -4.93 118.70 115.97 2p80 s GLU 54 Ca 0.48 0.91 -0.14 0.00 0.02 0.00 0.00 54.97 56.24 2p80 s GLU 54 Cb -0.11 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2p80 s GLU 54 CO 0.28 0.34 1.09 0.21 0.02 0.00 0.00 175.26 177.19 2p80 s LYS 55 N -2.15 2.85 0.02 1.61 2.20 -1.26 -5.04 119.74 117.96 2p80 s LYS 55 Ca 0.46 1.26 -0.13 0.00 -0.36 0.00 0.00 55.97 57.20 2p80 s LYS 55 Cb -0.16 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.21 2p80 s LYS 55 CO 0.21 -1.19 0.28 -0.59 -0.36 0.00 0.00 175.35 173.70 2p80 s PHE 56 N -2.54 -0.11 -0.23 4.03 -0.12 -1.26 -5.01 117.98 112.74 2p80 s PHE 56 Ca 0.64 0.05 -0.09 0.00 -0.05 0.00 0.00 56.93 57.48 2p80 s PHE 56 Cb -0.18 0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.37 2p80 s PHE 56 CO 0.44 -0.43 0.51 0.21 -0.05 0.00 0.00 175.22 175.90 2p80 s LYS 57 N -1.98 0.44 0.49 1.99 2.20 -1.26 -1.14 119.74 120.48 2p80 s LYS 57 Ca -0.09 1.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.66 2p80 s LYS 57 Cb -0.03 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.70 2p80 s LYS 57 CO 0.00 -0.21 0.71 -1.54 -0.36 0.00 0.00 175.35 173.95 2p80 s SER 58 N 2.40 5.56 0.40 1.43 1.04 0.46 -5.00 113.70 119.99 2p80 s SER 58 Ca -0.05 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 2p80 s SER 58 Cb -0.11 -1.17 -0.08 0.00 0.10 0.00 0.00 66.02 64.76 2p80 s SER 58 CO -0.15 -0.91 0.81 -0.54 0.98 0.00 0.00 173.24 173.43 2p80 s LYS 59 N -4.64 3.92 0.31 4.02 1.02 -1.26 -4.53 119.74 118.58 2p80 s LYS 59 Ca 0.53 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 2p80 s LYS 59 Cb -0.10 -2.34 -0.11 0.00 -0.52 0.00 0.00 37.83 34.76 2p80 s LYS 59 CO 0.38 -0.01 1.49 0.42 -0.92 0.00 0.00 175.35 176.71 2p80 s ILE 60 N -2.27 2.29 0.00 2.17 1.01 -1.26 -2.58 121.20 120.57 2p80 s ILE 60 Ca 0.55 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2p80 s ILE 60 Cb -0.10 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2p80 s ILE 60 CO 0.25 0.05 0.00 0.59 0.00 0.00 0.00 174.94 175.83 2p80 n ASN 61 N 1.60 0.00 -4.85 3.58 3.02 -0.15 -4.95 115.26 113.51 2p80 n ASN 61 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 2p80 n ASN 61 Cb 0.39 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 2p80 n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2p80 s GLU 62 N -0.04 3.98 0.06 3.52 -1.05 -1.06 -4.77 118.70 119.34 2p80 s GLU 62 Ca 0.00 0.51 -0.31 0.00 -0.15 0.00 0.00 54.97 55.03 2p80 s GLU 62 Cb 0.00 -2.80 -0.06 0.00 -0.44 0.00 0.00 34.13 30.83 2p80 s GLU 62 CO 0.00 0.39 1.23 -0.80 0.95 0.00 0.00 175.26 177.04 2p80 s ASN 63 N -1.92 7.03 -0.04 0.83 -0.87 -1.26 -4.54 114.94 114.17 2p80 s ASN 63 Ca 0.43 2.06 0.04 0.00 -1.57 0.00 0.00 52.86 53.81 2p80 s ASN 63 Cb -0.14 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.51 2p80 s ASN 63 CO 0.20 -0.51 -0.14 -0.47 -2.57 0.00 0.00 177.10 173.60 2p80 s TYR 64 N 1.15 1.48 -0.28 2.20 5.04 -0.57 -4.97 117.35 121.40 2p80 s TYR 64 Ca 0.60 -0.43 -0.07 0.00 -2.44 0.00 0.00 57.07 54.73 2p80 s TYR 64 Cb -0.30 -1.02 0.00 0.00 0.35 0.00 0.00 41.96 40.99 2p80 s TYR 64 CO 0.29 -0.16 0.07 0.08 -1.34 0.00 0.00 175.55 174.49 2p80 s VAL 65 N 0.16 3.96 -0.18 3.14 1.01 -1.26 -0.73 120.40 126.49 2p80 s VAL 65 Ca -0.05 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 2p80 s VAL 65 Cb -0.11 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2p80 s VAL 65 CO 0.02 0.14 0.30 -0.22 0.00 0.00 0.00 175.10 175.33 2p80 s LEU 66 N 1.51 4.21 -0.18 3.92 2.96 0.13 -4.93 118.68 126.30 2p80 s LEU 66 Ca 0.03 0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 2p80 s LEU 66 Cb -0.17 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2p80 s LEU 66 CO 0.02 0.06 0.22 -0.89 -1.32 0.00 0.00 176.35 174.44 2p80 s THR 67 N 0.71 5.35 -0.17 3.68 2.01 -1.26 -0.71 115.64 125.24 2p80 s THR 67 Ca 0.16 0.39 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 2p80 s THR 67 Cb -0.13 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2p80 s THR 67 CO 0.05 0.40 0.02 0.68 -0.69 0.00 0.00 174.62 175.08 2p80 s VAL 68 N 0.51 4.43 0.02 3.82 -7.23 -0.72 -4.98 120.40 116.26 2p80 s VAL 68 Ca 0.13 -0.16 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 2p80 s VAL 68 Cb -0.12 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 2p80 s VAL 68 CO 0.02 0.47 -0.09 0.41 -0.31 0.00 0.00 175.10 175.60 2p80 n THR 69 N 3.54 1.21 -2.36 5.32 -1.04 -1.26 0.21 114.28 119.90 2p80 n THR 69 Ca -0.17 0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.74 2p80 n THR 69 Cb 0.52 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 2p80 n THR 69 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2p80 s GLN 70 N -2.16 4.48 0.68 -2.82 -1.52 -1.26 -4.46 119.66 112.60 2p80 s GLN 70 Ca -0.08 1.88 -0.14 0.00 -1.95 0.00 0.00 55.36 55.08 2p80 s GLN 70 Cb 0.01 -3.24 0.01 0.00 -0.22 0.00 0.00 33.01 29.57 2p80 s GLN 70 CO 0.12 -0.11 1.10 -2.14 -0.25 0.00 0.00 175.29 174.00 2p80 s PRO 71 N -0.14 2.70 0.00 2.91 0.02 -1.26 -4.84 135.00 134.39 2p80 s PRO 71 Ca 0.54 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2p80 s PRO 71 Cb -0.33 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.25 2p80 s PRO 71 CO 0.36 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 2p80 n GLY 72 N -0.74 1.01 3.90 0.52 0.00 -0.08 -4.82 105.19 104.98 2p80 n GLY 72 Ca 0.10 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 2p80 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p80 s ALA 73 N -1.04 3.94 -0.06 4.61 0.00 -1.26 -0.85 121.76 127.10 2p80 s ALA 73 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2p80 s ALA 73 Cb 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.34 2p80 s ALA 73 CO 0.00 0.79 -0.06 0.71 0.00 0.00 0.00 175.76 177.21 2p80 s TYR 74 N -1.43 0.94 -0.20 0.00 1.51 -0.04 -3.57 117.35 114.55 2p80 s TYR 74 Ca 0.32 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 56.00 2p80 s TYR 74 Cb -0.13 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 2p80 s TYR 74 CO 0.24 -0.26 0.04 -1.17 -1.11 0.00 0.00 175.55 173.29 2p80 s LEU 75 N 1.10 3.51 0.20 -1.29 2.96 -0.07 -0.41 118.68 124.68 2p80 s LEU 75 Ca -0.08 -0.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.83 2p80 s LEU 75 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2p80 s LEU 75 CO -0.01 0.08 -0.14 0.68 -1.32 0.00 0.00 176.35 175.64 2p80 s VAL 76 N 0.91 2.90 0.31 1.68 -7.23 -0.07 -2.46 120.40 116.44 2p80 s VAL 76 Ca 0.03 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2p80 s VAL 76 Cb -0.14 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 2p80 s VAL 76 CO 0.02 -0.15 0.04 -1.59 -0.31 0.00 0.00 175.10 173.11 2p80 s LYS 77 N -2.89 1.60 -0.16 4.82 -2.85 -0.26 -1.65 119.74 118.34 2p80 s LYS 77 Ca 0.24 -1.87 -0.17 0.00 -1.00 0.00 0.00 55.97 53.18 2p80 s LYS 77 Cb -0.08 -0.86 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 2p80 s LYS 77 CO 0.14 -0.15 0.44 0.00 0.10 0.00 0.00 175.35 175.88 2p80 h THR 79 N 4.88 0.54 -0.20 0.00 2.02 -1.91 -0.34 112.91 117.89 2p80 h THR 79 Ca -0.38 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 2p80 h THR 79 Cb 1.17 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2p80 h THR 79 CO 0.74 0.00 -0.32 1.55 0.37 0.00 0.00 175.52 177.87 2p80 h PRO 80 N -0.51 0.40 -0.33 6.66 0.13 -1.94 -3.30 132.00 133.12 2p80 h PRO 80 Ca -0.02 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2p80 h PRO 80 Cb 0.44 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2p80 h PRO 80 CO -0.00 0.68 0.00 0.72 -0.23 0.00 0.00 178.00 179.16 2p80 n HIS 81 N -4.09 1.11 -0.20 1.56 8.25 -1.11 -4.59 115.22 116.15 2p80 n HIS 81 Ca -0.01 -0.82 -0.01 0.00 -0.26 0.00 0.00 57.72 56.62 2p80 n HIS 81 Cb 0.44 -0.33 0.10 0.00 1.12 0.00 0.00 29.99 31.32 2p80 n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2p80 h TYR 82 N 2.24 0.48 0.00 4.41 3.20 -1.14 -0.56 116.97 125.61 2p80 h TYR 82 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2p80 h TYR 82 Cb 1.49 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2p80 h TYR 82 CO 0.58 0.18 0.00 0.00 -1.64 0.00 0.00 178.16 177.28 2p80 h ALA 83 N 1.38 1.00 -0.53 1.82 0.00 -1.86 0.03 119.26 121.09 2p80 h ALA 83 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2p80 h ALA 83 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2p80 h ALA 83 CO -0.25 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.67 2p80 n MET 84 N -2.50 2.32 -0.03 0.00 2.81 -0.26 -4.82 117.12 114.64 2p80 n MET 84 Ca 0.00 -2.04 0.00 0.00 -1.81 0.00 0.00 57.70 53.85 2p80 n MET 84 Cb 0.17 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2p80 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2p80 n GLY 85 N 1.41 0.82 3.55 3.03 0.00 -0.00 -4.89 105.19 109.11 2p80 n GLY 85 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2p80 n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2p80 s MET 86 N -0.97 3.33 0.15 1.61 -2.45 -0.96 -4.82 119.30 115.19 2p80 s MET 86 Ca 0.00 -0.57 -0.01 0.00 -1.25 0.00 0.00 55.69 53.86 2p80 s MET 86 Cb 0.00 -4.60 -0.04 0.00 1.25 0.00 0.00 34.83 31.44 2p80 s MET 86 CO 0.00 -2.16 0.08 0.96 1.05 0.00 0.00 175.02 174.94 2p80 s ILE 87 N 5.42 0.10 0.02 10.11 -4.36 -1.26 -1.89 121.20 129.33 2p80 s ILE 87 Ca 0.39 -1.94 -0.07 0.00 -0.26 0.00 0.00 60.65 58.77 2p80 s ILE 87 Cb -0.05 -2.19 -0.00 0.00 1.25 0.00 0.00 42.46 41.47 2p80 s ILE 87 CO 0.06 -0.32 0.12 0.00 0.24 0.00 0.00 174.94 175.04 2p80 s ALA 88 N -4.06 -0.21 -0.16 2.27 0.00 -0.66 -4.46 121.76 114.47 2p80 s ALA 88 Ca 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2p80 s ALA 88 Cb 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 2p80 s ALA 88 CO 0.05 -0.28 -0.11 -1.17 0.00 0.00 0.00 175.76 174.25 2p80 s LEU 89 N -1.81 2.72 -0.20 0.00 2.96 0.55 -0.89 118.68 122.02 2p80 s LEU 89 Ca -0.09 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 2p80 s LEU 89 Cb -0.04 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2p80 s LEU 89 CO -0.02 0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.48 2p80 s ILE 90 N 0.80 4.09 -0.26 6.68 1.01 0.46 -0.67 121.20 133.31 2p80 s ILE 90 Ca -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 2p80 s ILE 90 Cb -0.15 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.49 2p80 s ILE 90 CO 0.01 0.43 -0.00 0.00 0.00 0.00 0.00 174.94 175.37 2p80 s ALA 91 N 0.93 2.86 -0.33 9.38 0.00 0.90 -0.86 121.76 134.63 2p80 s ALA 91 Ca 0.02 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.44 2p80 s ALA 91 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2p80 s ALA 91 CO 0.02 -0.83 0.17 0.08 0.00 0.00 0.00 175.76 175.21 2p80 s VAL 92 N 1.41 4.65 0.00 0.00 1.01 -0.03 -0.73 120.40 126.70 2p80 s VAL 92 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2p80 s VAL 92 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2p80 s VAL 92 CO -0.02 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2p80 n GLY 93 N 5.00 -0.93 3.94 4.51 0.00 -0.76 -0.90 105.19 116.04 2p80 n GLY 93 Ca -0.13 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 2p80 n GLY 93 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2p80 s ASP 94 N -1.63 6.22 -0.39 1.61 1.47 -1.26 -4.59 116.67 118.10 2p80 s ASP 94 Ca 0.00 0.53 -0.04 0.00 1.18 0.00 0.00 52.55 54.22 2p80 s ASP 94 Cb 0.00 -2.01 0.01 0.00 -0.34 0.00 0.00 42.92 40.57 2p80 s ASP 94 CO 0.00 -0.41 0.32 -1.54 0.68 0.00 0.00 175.17 174.21 2p80 n SER 95 N -1.93 -2.54 -4.68 2.11 3.41 -1.26 -4.78 113.62 103.95 2p80 n SER 95 Ca -0.03 -0.43 -0.46 0.00 -0.26 0.00 0.00 58.87 57.69 2p80 n SER 95 Cb 0.56 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 2p80 n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2p80 n PRO 96 N -1.33 2.30 0.11 4.33 -0.04 -1.26 -4.86 135.00 134.25 2p80 n PRO 96 Ca -0.15 0.84 0.05 0.00 -0.04 0.00 0.00 63.50 64.20 2p80 n PRO 96 Cb 0.36 -2.66 0.50 0.00 -0.04 0.00 0.00 33.50 31.67 2p80 n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p80 h ALA 97 N 7.52 1.80 -0.65 0.55 0.00 -1.92 -3.01 119.26 123.55 2p80 h ALA 97 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2p80 h ALA 97 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2p80 h ALA 97 CO 0.92 0.18 0.00 0.27 0.00 0.00 0.00 179.25 180.62 2p80 n ASN 98 N -4.48 3.70 -0.03 0.00 6.94 -1.26 -4.62 115.26 115.51 2p80 n ASN 98 Ca 0.00 -2.00 -0.11 0.00 -0.02 0.00 0.00 54.58 52.46 2p80 n ASN 98 Cb 0.09 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.04 2p80 n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2p80 h LEU 99 N 4.17 0.20 -1.11 -4.53 5.85 -1.89 -1.72 115.31 116.28 2p80 h LEU 99 Ca 0.00 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2p80 h LEU 99 Cb 0.95 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2p80 h LEU 99 CO 0.00 0.22 0.16 0.44 -0.34 0.00 0.00 178.44 178.91 2p80 h ASP 100 N 0.16 0.72 -0.39 1.25 3.32 -1.84 -0.70 116.42 118.95 2p80 h ASP 100 Ca 0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2p80 h ASP 100 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2p80 h ASP 100 CO -0.01 0.69 0.19 -0.61 -1.72 0.00 0.00 179.24 177.79 2p80 h GLN 101 N 0.77 0.55 -0.33 3.56 -0.00 -1.83 -1.38 115.11 116.44 2p80 h GLN 101 Ca 0.17 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.65 58.66 2p80 h GLN 101 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 2p80 h GLN 101 CO -0.01 0.48 -0.16 0.82 0.00 0.00 0.00 178.83 179.96 2p80 h ILE 102 N 0.49 1.25 -0.26 2.39 2.04 -0.62 -1.42 117.51 121.37 2p80 h ILE 102 Ca 0.13 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 2p80 h ILE 102 Cb 0.10 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2p80 h ILE 102 CO -0.02 0.38 -0.21 0.58 0.00 0.00 0.00 178.15 178.88 2p80 h VAL 103 N 0.54 1.25 0.00 1.67 2.07 -0.84 -2.65 116.25 118.29 2p80 h VAL 103 Ca 0.09 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2p80 h VAL 103 Cb 0.59 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2p80 h VAL 103 CO 0.04 0.38 -0.11 0.77 0.02 0.00 0.00 177.57 178.67 2p80 h SER 104 N 0.43 0.00 -4.22 0.57 4.64 -0.89 -3.48 113.55 110.61 2p80 h SER 104 Ca 0.07 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 2p80 h SER 104 Cb 0.61 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.88 2p80 h SER 104 CO 0.04 0.00 0.33 0.00 -0.87 0.00 0.00 176.83 176.33 2p80 s ALA 105 N -3.21 1.85 0.15 5.18 0.00 -0.57 -4.92 121.76 120.23 2p80 s ALA 105 Ca 0.07 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 2p80 s ALA 105 Cb 0.07 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 2p80 s ALA 105 CO 0.67 -2.27 1.39 0.21 0.00 0.00 0.00 175.76 175.76 2p80 s LYS 106 N -4.22 4.32 0.18 0.00 2.20 -1.26 -4.99 119.74 115.98 2p80 s LYS 106 Ca 0.72 2.11 -0.23 0.00 -0.36 0.00 0.00 55.97 58.20 2p80 s LYS 106 Cb -0.27 -3.22 0.05 0.00 -1.51 0.00 0.00 37.83 32.88 2p80 s LYS 106 CO 0.51 -0.41 0.75 -1.59 -0.36 0.00 0.00 175.35 174.25 2p80 s LYS 107 N 0.74 1.39 0.50 4.03 -2.85 -1.26 -5.15 119.74 117.14 2p80 s LYS 107 Ca 0.63 -0.68 -0.23 0.00 -1.00 0.00 0.00 55.97 54.69 2p80 s LYS 107 Cb -0.38 0.53 -0.08 0.00 -2.06 0.00 0.00 37.83 35.85 2p80 s LYS 107 CO 0.33 -0.63 1.15 -2.30 0.10 0.00 0.00 175.35 174.00 2p80 n PRO 108 N -0.41 1.47 -0.33 1.78 -0.02 -1.26 -4.76 135.00 131.47 2p80 n PRO 108 Ca -0.09 0.54 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 2p80 n PRO 108 Cb 0.61 -2.29 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 2p80 n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2p80 h LYS 109 N 1.40 0.95 -0.38 -0.52 1.63 -1.99 -0.22 116.57 117.44 2p80 h LYS 109 Ca -0.48 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.16 2p80 h LYS 109 Cb 1.32 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.73 2p80 h LYS 109 CO 0.56 0.63 -0.20 0.97 -3.45 0.00 0.00 179.45 177.96 2p80 h ILE 110 N 0.98 1.27 -0.02 2.00 6.09 -1.90 -1.18 117.51 124.75 2p80 h ILE 110 Ca 0.42 -1.29 0.01 0.00 -1.37 0.00 0.00 64.86 62.63 2p80 h ILE 110 Cb 0.28 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 2p80 h ILE 110 CO -0.21 0.43 -0.02 0.58 -3.07 0.00 0.00 178.15 175.86 2p80 h VAL 111 N 0.65 0.95 -0.69 2.19 2.07 -1.53 -1.90 116.25 117.99 2p80 h VAL 111 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 2p80 h VAL 111 Cb 0.69 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2p80 h VAL 111 CO 0.05 0.00 0.34 -0.61 0.02 0.00 0.00 177.57 177.38 2p80 h GLN 112 N -0.02 0.58 -0.77 1.57 5.75 -0.71 0.02 115.11 121.52 2p80 h GLN 112 Ca 0.02 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2p80 h GLN 112 Cb 0.04 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 2p80 h GLN 112 CO -0.03 0.38 0.27 0.93 -2.65 0.00 0.00 178.83 177.73 2p80 h GLU 113 N 0.59 1.18 -0.21 1.69 5.08 -0.95 -0.74 114.58 121.22 2p80 h GLU 113 Ca 0.34 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 2p80 h GLU 113 Cb 0.34 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2p80 h GLU 113 CO -0.26 0.98 -0.56 0.00 -1.00 0.00 0.00 179.01 178.17 2p80 h ARG 114 N 1.14 0.64 -0.37 2.33 3.08 -0.52 -2.48 114.38 118.19 2p80 h ARG 114 Ca 0.25 -0.41 0.03 0.00 0.07 0.00 0.00 59.98 59.93 2p80 h ARG 114 Cb 0.27 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2p80 h ARG 114 CO -0.01 1.02 0.16 1.25 -1.07 0.00 0.00 179.97 181.32 2p80 h LEU 115 N 0.49 0.21 -1.15 3.04 5.85 -0.74 0.12 115.31 123.14 2p80 h LEU 115 Ca 0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2p80 h LEU 115 Cb 1.12 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2p80 h LEU 115 CO 0.11 0.16 0.21 -0.33 -0.34 0.00 0.00 178.44 178.24 2p80 h GLU 116 N 0.33 0.81 -0.08 1.25 5.08 -1.07 -0.74 114.58 120.15 2p80 h GLU 116 Ca 0.16 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2p80 h GLU 116 Cb 0.10 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2p80 h GLU 116 CO -0.14 0.67 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.30 2p80 h LYS 117 N 0.79 0.16 -0.53 2.33 3.64 -0.95 -2.22 116.57 119.79 2p80 h LYS 117 Ca 0.19 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2p80 h LYS 117 Cb 0.18 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2p80 h LYS 117 CO -0.02 0.51 0.30 -0.39 -2.27 0.00 0.00 179.45 177.58 2p80 h VAL 118 N -0.20 1.16 -0.03 2.00 -1.51 -0.59 0.85 116.25 117.92 2p80 h VAL 118 Ca 0.02 -0.38 -0.12 0.00 -1.23 0.00 0.00 66.70 64.98 2p80 h VAL 118 Cb 0.46 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 2p80 h VAL 118 CO 0.01 0.17 -0.55 0.40 -1.23 0.00 0.00 177.57 176.37 2p80 h ILE 119 N 0.73 1.39 0.00 7.19 2.04 -1.05 -2.14 117.51 125.66 2p80 h ILE 119 Ca 0.19 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2p80 h ILE 119 Cb 0.00 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2p80 h ILE 119 CO -0.03 0.54 -0.08 0.00 0.00 0.00 0.00 178.15 178.58 2p80 h ALA 120 N 1.37 0.00 -1.92 1.87 0.00 -0.59 -3.37 119.26 116.61 2p80 h ALA 120 Ca -0.00 -0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.10 2p80 h ALA 120 Cb 1.00 0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.53 2p80 h ALA 120 CO 0.08 0.08 0.25 -1.13 0.00 0.00 0.00 179.25 178.53 2p80 n SER 121 N -4.69 5.59 0.00 0.00 3.41 0.28 -4.34 113.62 113.87 2p80 n SER 121 Ca -0.01 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 2p80 n SER 121 Cb 0.04 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 2p80 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p80 n ALA 122 N 0.73 0.00 0.22 7.33 0.00 -0.90 -4.32 120.51 123.57 2p80 n ALA 122 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.77 2p80 n ALA 122 Cb 0.35 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.90 2p80 n ALA 122 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86