#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ft0 s GLU 2 N 0.00 3.00 -0.16 0.00 2.02 -1.26 -4.93 118.70 117.36 3ft0 s GLU 2 Ca 0.00 -1.52 0.16 0.00 0.02 0.00 0.00 54.97 53.62 3ft0 s GLU 2 Cb 0.00 -4.23 0.54 0.00 0.10 0.00 0.00 34.13 30.54 3ft0 s GLU 2 CO 0.00 -1.24 1.45 0.00 0.02 0.00 0.00 175.26 175.49 3ft0 s SER 4 N -1.66 -0.03 -0.04 0.00 1.04 -1.26 -0.85 113.70 110.90 3ft0 s SER 4 Ca 0.42 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 3ft0 s SER 4 Cb 0.32 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.87 3ft0 s SER 4 CO 0.11 -0.82 0.12 0.54 0.98 0.00 0.00 173.24 174.17 3ft0 s VAL 5 N -3.86 0.02 -0.22 5.02 0.11 -0.44 -4.94 120.40 116.08 3ft0 s VAL 5 Ca 0.07 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 3ft0 s VAL 5 Cb 0.03 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 3ft0 s VAL 5 CO -0.09 -0.08 0.18 -1.81 -3.33 0.00 0.00 175.10 169.97 3ft0 s ASP 6 N -0.24 6.18 0.01 3.54 1.11 -1.26 -0.87 116.67 125.14 3ft0 s ASP 6 Ca -0.03 0.19 0.06 0.00 0.18 0.00 0.00 52.55 52.95 3ft0 s ASP 6 Cb -0.02 -2.12 -0.02 0.00 1.07 0.00 0.00 42.92 41.83 3ft0 s ASP 6 CO 0.00 0.08 -0.18 -0.51 1.18 0.00 0.00 175.17 175.74 3ft0 s ILE 7 N 0.90 1.44 -0.04 0.77 2.07 0.25 -4.96 121.20 121.62 3ft0 s ILE 7 Ca 0.09 -0.90 0.05 0.00 -1.41 0.00 0.00 60.65 58.49 3ft0 s ILE 7 Cb -0.13 -1.22 -0.02 0.00 0.13 0.00 0.00 42.46 41.22 3ft0 s ILE 7 CO 0.03 0.31 -0.20 -1.10 -1.91 0.00 0.00 174.94 172.07 3ft0 s GLN 8 N -0.69 2.41 -0.13 3.50 -0.21 -1.26 -1.54 119.66 121.74 3ft0 s GLN 8 Ca 0.06 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3ft0 s GLN 8 Cb -0.07 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 3ft0 s GLN 8 CO 0.00 0.54 -0.15 0.20 -2.12 0.00 0.00 175.29 173.76 3ft0 s GLY 9 N -0.55 1.49 0.12 3.09 0.00 -0.52 -2.18 107.32 108.78 3ft0 s GLY 9 Ca 0.08 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3ft0 s GLY 9 CO 0.01 -0.20 0.07 1.16 0.00 0.00 0.00 173.10 174.13 3ft0 n ASN 10 N 3.56 1.61 0.03 1.64 0.23 -0.75 -3.75 115.26 117.83 3ft0 n ASN 10 Ca -0.18 -1.44 0.09 0.00 -0.53 0.00 0.00 54.58 52.52 3ft0 n ASN 10 Cb 0.53 0.01 0.40 0.00 -2.08 0.00 0.00 39.78 38.64 3ft0 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ft0 n ASP 11 N -1.75 0.17 -1.09 0.53 8.00 -1.26 -3.14 116.55 118.02 3ft0 n ASP 11 Ca -0.02 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.10 3ft0 n ASP 11 Cb 0.14 -0.58 0.27 0.00 -0.02 0.00 0.00 41.12 40.94 3ft0 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ft0 n GLN 12 N -1.69 3.32 -3.29 -1.24 3.00 -1.26 -4.97 117.38 111.26 3ft0 n GLN 12 Ca 0.04 -2.72 -0.16 0.00 -0.01 0.00 0.00 57.00 54.15 3ft0 n GLN 12 Cb 0.22 -1.78 0.08 0.00 0.00 0.00 0.00 30.24 28.76 3ft0 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3ft0 n MET 13 N 0.16 -6.00 -4.10 -1.09 1.56 -1.19 -5.03 117.12 101.43 3ft0 n MET 13 Ca 0.21 0.75 -0.14 0.00 -0.27 0.00 0.00 57.70 58.25 3ft0 n MET 13 Cb 0.83 -5.50 -0.12 0.00 2.15 0.00 0.00 33.22 30.58 3ft0 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3ft0 s GLN 14 N -5.29 0.50 0.34 2.12 -0.21 -1.26 -4.55 119.66 111.31 3ft0 s GLN 14 Ca 0.05 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.85 3ft0 s GLN 14 Cb -0.02 -0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 3ft0 s GLN 14 CO 0.65 0.08 0.56 -0.06 -2.12 0.00 0.00 175.29 174.39 3ft0 s PHE 15 N -0.94 3.50 -1.40 0.91 0.08 -1.26 -1.81 117.98 117.06 3ft0 s PHE 15 Ca -0.06 0.44 0.16 0.00 0.12 0.00 0.00 56.93 57.59 3ft0 s PHE 15 Cb -0.07 -1.96 0.59 0.00 -0.57 0.00 0.00 43.02 41.01 3ft0 s PHE 15 CO 0.00 0.11 1.48 0.27 -0.10 0.00 0.00 175.22 176.98 3ft0 n ASN 16 N -1.61 3.88 -3.86 1.36 6.94 -0.92 -4.85 115.26 116.19 3ft0 n ASN 16 Ca -0.04 -2.28 -0.11 0.00 -0.02 0.00 0.00 54.58 52.13 3ft0 n ASN 16 Cb 0.56 -0.50 -0.09 0.00 -2.36 0.00 0.00 39.78 37.38 3ft0 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3ft0 s THR 17 N -1.65 0.10 -0.79 5.53 -1.32 -1.26 -4.97 115.64 111.27 3ft0 s THR 17 Ca 0.42 -0.80 0.09 0.00 -1.21 0.00 0.00 61.69 60.19 3ft0 s THR 17 Cb 0.26 -0.69 -0.01 0.00 -1.51 0.00 0.00 72.50 70.55 3ft0 s THR 17 CO 0.22 -0.44 0.58 0.59 -2.21 0.00 0.00 174.62 173.36 3ft0 n ASN 18 N 1.05 1.11 -3.40 8.08 3.02 -1.26 -4.82 115.26 119.04 3ft0 n ASN 18 Ca -0.21 -1.05 -0.06 0.00 -0.03 0.00 0.00 54.58 53.23 3ft0 n ASN 18 Cb 0.57 0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 40.16 3ft0 n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ft0 s ALA 19 N -1.26 -1.34 -0.14 5.41 0.00 -1.26 -1.39 121.76 121.77 3ft0 s ALA 19 Ca 0.07 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 3ft0 s ALA 19 Cb 0.07 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3ft0 s ALA 19 CO 0.22 -1.14 -0.05 0.42 0.00 0.00 0.00 175.76 175.21 3ft0 s ILE 20 N 2.63 3.76 -0.17 0.00 1.01 0.10 -4.97 121.20 123.56 3ft0 s ILE 20 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3ft0 s ILE 20 Cb -0.14 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3ft0 s ILE 20 CO -0.16 0.51 -0.01 -0.89 0.00 0.00 0.00 174.94 174.39 3ft0 s THR 21 N 0.20 4.04 -0.31 2.92 2.01 -1.26 -0.93 115.64 122.30 3ft0 s THR 21 Ca -0.03 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 3ft0 s THR 21 Cb -0.14 -2.79 0.05 0.00 0.01 0.00 0.00 72.50 69.63 3ft0 s THR 21 CO 0.03 0.47 0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 3ft0 s VAL 22 N 0.52 3.25 0.01 3.82 1.01 0.09 -4.95 120.40 124.15 3ft0 s VAL 22 Ca -0.02 -1.30 -0.35 0.00 0.00 0.00 0.00 61.98 60.32 3ft0 s VAL 22 Cb -0.14 -2.86 -0.13 0.00 0.00 0.00 0.00 36.38 33.25 3ft0 s VAL 22 CO 0.02 -0.13 1.71 -0.67 0.00 0.00 0.00 175.10 176.04 3ft0 n ASP 23 N 4.68 3.10 0.11 3.32 -0.08 -1.26 -1.06 116.55 125.36 3ft0 n ASP 23 Ca -0.13 1.03 0.19 0.00 -1.51 0.00 0.00 54.79 54.37 3ft0 n ASP 23 Cb 0.44 -1.36 0.75 0.00 2.34 0.00 0.00 41.12 43.29 3ft0 n ASP 23 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3ft0 h LYS 24 N 7.45 0.00 0.00 -0.67 1.57 -0.84 -1.56 116.57 122.52 3ft0 h LYS 24 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3ft0 h LYS 24 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3ft0 h LYS 24 CO 0.91 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.45 3ft0 h SER 25 N 0.00 0.00 -2.71 0.86 4.64 -1.90 -3.44 113.55 111.00 3ft0 h SER 25 Ca 0.17 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.95 3ft0 h SER 25 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3ft0 h SER 25 CO -0.00 0.00 0.99 0.00 -0.87 0.00 0.00 176.83 176.95 3ft0 h LYS 27 N 8.56 0.63 -5.73 0.00 6.56 -1.89 -3.41 116.57 121.29 3ft0 h LYS 27 Ca -0.41 -0.65 -0.49 0.00 -1.06 0.00 0.00 60.65 58.05 3ft0 h LYS 27 Cb 1.19 0.18 -0.22 0.00 -0.57 0.00 0.00 32.23 32.81 3ft0 h LYS 27 CO 0.93 1.25 -0.80 -0.65 -2.06 0.00 0.00 179.45 178.12 3ft0 s GLN 28 N -3.37 0.98 -0.05 3.15 1.11 -1.26 -1.08 119.66 119.14 3ft0 s GLN 28 Ca -0.09 -1.03 0.03 0.00 0.01 0.00 0.00 55.36 54.28 3ft0 s GLN 28 Cb 0.08 -1.11 0.01 0.00 -1.01 0.00 0.00 33.01 30.98 3ft0 s GLN 28 CO 0.90 0.26 -0.12 0.12 0.01 0.00 0.00 175.29 176.46 3ft0 s PHE 29 N -1.17 1.35 -0.11 0.91 5.36 -0.56 -4.83 117.98 118.93 3ft0 s PHE 29 Ca 0.02 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 3ft0 s PHE 29 Cb -0.10 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 41.60 3ft0 s PHE 29 CO 0.03 -0.19 -0.14 0.99 -1.46 0.00 0.00 175.22 174.45 3ft0 s THR 30 N 0.37 3.02 -0.21 0.12 2.01 -0.03 -1.91 115.64 119.02 3ft0 s THR 30 Ca -0.08 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3ft0 s THR 30 Cb -0.13 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3ft0 s THR 30 CO 0.02 0.54 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 3ft0 s VAL 31 N 0.09 3.65 -0.42 3.82 1.01 -0.21 -1.33 120.40 127.01 3ft0 s VAL 31 Ca -0.06 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3ft0 s VAL 31 Cb -0.15 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.64 3ft0 s VAL 31 CO 0.05 0.42 0.29 0.20 0.00 0.00 0.00 175.10 176.06 3ft0 s ASN 32 N 1.23 5.85 -0.14 3.32 0.01 -0.05 -1.81 114.94 123.36 3ft0 s ASN 32 Ca 0.03 -1.26 -0.11 0.00 -0.71 0.00 0.00 52.86 50.82 3ft0 s ASN 32 Cb -0.14 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 3ft0 s ASN 32 CO -0.00 -0.52 0.21 -0.22 -1.51 0.00 0.00 177.10 175.06 3ft0 s LEU 33 N 1.55 4.31 0.22 0.60 2.96 0.06 -0.58 118.68 127.79 3ft0 s LEU 33 Ca 0.03 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3ft0 s LEU 33 Cb -0.22 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3ft0 s LEU 33 CO 0.05 0.24 0.09 -0.94 -1.32 0.00 0.00 176.35 174.48 3ft0 s SER 34 N -0.21 0.76 -0.40 3.68 1.04 -0.59 -1.44 113.70 116.54 3ft0 s SER 34 Ca 0.15 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.24 3ft0 s SER 34 Cb -0.13 0.24 0.14 0.00 0.10 0.00 0.00 66.02 66.38 3ft0 s SER 34 CO 0.03 -0.75 0.25 -2.28 0.98 0.00 0.00 173.24 171.47 3ft0 s HIS 35 N -3.91 1.24 1.04 5.02 2.46 -1.12 -1.44 115.29 118.58 3ft0 s HIS 35 Ca 0.36 -2.03 -0.15 0.00 0.47 0.00 0.00 55.06 53.71 3ft0 s HIS 35 Cb 0.07 -1.25 0.21 0.00 -0.13 0.00 0.00 32.58 31.48 3ft0 s HIS 35 CO 0.11 -0.81 1.12 -1.25 -2.47 0.00 0.00 174.74 171.45 3ft0 s PRO 36 N 0.61 0.08 0.27 2.88 0.04 -1.25 -1.02 135.00 136.61 3ft0 s PRO 36 Ca 0.21 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.45 3ft0 s PRO 36 Cb -0.18 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3ft0 s PRO 36 CO -0.03 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.52 3ft0 n GLY 37 N -1.50 -2.08 0.00 0.56 0.00 -1.26 -4.24 105.19 96.67 3ft0 n GLY 37 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3ft0 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ft0 n ASN 38 N 0.23 0.10 -4.80 1.61 5.03 -1.26 -4.31 115.26 111.85 3ft0 n ASN 38 Ca 0.00 -0.54 -0.38 0.00 0.87 0.00 0.00 54.58 54.52 3ft0 n ASN 38 Cb 0.00 0.89 -0.06 0.00 -1.02 0.00 0.00 39.78 39.59 3ft0 n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ft0 s LEU 39 N -1.78 4.49 0.89 3.41 1.43 -1.26 -4.86 118.68 121.00 3ft0 s LEU 39 Ca 0.00 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 3ft0 s LEU 39 Cb 0.00 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.51 3ft0 s LEU 39 CO 0.00 0.25 1.12 -2.16 0.23 0.00 0.00 176.35 175.79 3ft0 s PRO 40 N -0.91 1.34 0.42 1.29 0.04 -1.26 -1.55 135.00 134.37 3ft0 s PRO 40 Ca 0.28 0.46 0.11 0.00 0.04 0.00 0.00 61.00 61.89 3ft0 s PRO 40 Cb -0.19 -1.85 0.95 0.00 0.04 0.00 0.00 34.50 33.45 3ft0 s PRO 40 CO 0.17 -2.09 2.00 -0.22 0.04 0.00 0.00 177.00 176.90 3ft0 h LYS 41 N -1.43 0.48 0.00 4.56 3.64 -1.87 -0.38 116.57 121.57 3ft0 h LYS 41 Ca -0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3ft0 h LYS 41 Cb 1.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3ft0 h LYS 41 CO 0.60 0.32 -0.03 0.27 -2.27 0.00 0.00 179.45 178.34 3ft0 n ASN 42 N -4.47 0.08 -0.13 4.20 6.94 -1.26 -1.71 115.26 118.91 3ft0 n ASN 42 Ca 0.08 0.46 -0.27 0.00 -0.02 0.00 0.00 54.58 54.83 3ft0 n ASN 42 Cb 0.26 -0.47 -0.11 0.00 -2.36 0.00 0.00 39.78 37.10 3ft0 n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3ft0 n VAL 43 N -1.55 1.54 -2.71 3.53 0.31 -0.29 -4.80 118.33 114.35 3ft0 n VAL 43 Ca 0.07 -0.35 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 3ft0 n VAL 43 Cb 0.35 -1.85 0.07 0.00 -0.91 0.00 0.00 33.84 31.50 3ft0 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3ft0 n MET 44 N -4.13 1.33 -2.31 5.55 0.00 -0.41 -5.02 117.12 112.13 3ft0 n MET 44 Ca -0.49 -2.68 -0.38 0.00 -0.00 0.00 0.00 57.70 54.16 3ft0 n MET 44 Cb 0.87 -0.80 -0.02 0.00 0.00 0.00 0.00 33.22 33.27 3ft0 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3ft0 s GLY 45 N -2.54 2.86 0.07 -5.12 0.00 -0.69 -4.81 107.32 97.09 3ft0 s GLY 45 Ca 0.23 0.95 0.06 0.00 0.00 0.00 0.00 44.72 45.96 3ft0 s GLY 45 CO -0.03 1.46 -0.16 0.30 0.00 0.00 0.00 173.10 174.67 3ft0 s HIS 46 N -1.42 1.36 0.36 1.90 3.76 -0.22 -4.80 115.29 116.22 3ft0 s HIS 46 Ca 0.57 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 55.10 3ft0 s HIS 46 Cb -0.30 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 3ft0 s HIS 46 CO 0.38 0.08 0.10 0.54 -0.85 0.00 0.00 174.74 174.99 3ft0 s ASN 47 N -1.56 2.44 -0.15 1.40 2.20 -1.26 -0.09 114.94 117.91 3ft0 s ASN 47 Ca 0.01 -1.53 0.01 0.00 -0.94 0.00 0.00 52.86 50.41 3ft0 s ASN 47 Cb -0.09 0.24 0.02 0.00 -2.00 0.00 0.00 41.25 39.42 3ft0 s ASN 47 CO 0.02 -0.78 -0.15 0.86 -2.94 0.00 0.00 177.10 174.11 3ft0 s TRP 48 N -3.31 2.21 -0.02 1.54 -0.00 -1.26 -3.92 118.94 114.17 3ft0 s TRP 48 Ca 0.30 -1.23 0.04 0.00 -0.00 0.00 0.00 56.10 55.21 3ft0 s TRP 48 Cb 0.06 -1.61 -0.01 0.00 -0.00 0.00 0.00 33.47 31.91 3ft0 s TRP 48 CO 0.15 -0.67 -0.15 0.08 -0.00 0.00 0.00 176.95 176.36 3ft0 s VAL 49 N 1.43 1.23 -0.10 5.86 1.01 0.04 -0.87 120.40 129.00 3ft0 s VAL 49 Ca 0.04 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3ft0 s VAL 49 Cb -0.13 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 3ft0 s VAL 49 CO -0.10 0.35 -0.21 -0.22 0.00 0.00 0.00 175.10 174.92 3ft0 s LEU 50 N -0.20 2.24 0.30 3.92 2.96 -0.07 -1.55 118.68 126.28 3ft0 s LEU 50 Ca 0.02 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 3ft0 s LEU 50 Cb -0.08 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.16 3ft0 s LEU 50 CO 0.00 0.17 0.48 -0.94 -1.32 0.00 0.00 176.35 174.74 3ft0 s SER 51 N 0.29 0.42 0.85 3.68 1.04 -0.84 -0.21 113.70 118.93 3ft0 s SER 51 Ca -0.16 -1.25 -0.12 0.00 0.48 0.00 0.00 55.95 54.91 3ft0 s SER 51 Cb -0.17 0.63 0.10 0.00 0.10 0.00 0.00 66.02 66.68 3ft0 s SER 51 CO 0.08 -1.24 1.14 0.35 0.98 0.00 0.00 173.24 174.55 3ft0 n THR 52 N -0.47 1.26 -0.30 2.02 -2.24 -1.26 -1.53 114.28 111.75 3ft0 n THR 52 Ca -0.01 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.67 3ft0 n THR 52 Cb 0.62 -1.10 0.24 0.00 -2.10 0.00 0.00 70.33 67.98 3ft0 n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ft0 h ALA 53 N -1.27 1.50 -0.61 6.98 0.00 -0.46 -2.70 119.26 122.70 3ft0 h ALA 53 Ca -0.45 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3ft0 h ALA 53 Cb 1.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3ft0 h ALA 53 CO 0.44 0.38 0.18 0.00 0.00 0.00 0.00 179.25 180.25 3ft0 h ALA 54 N 1.50 1.18 0.00 0.00 0.00 -1.91 -3.08 119.26 116.96 3ft0 h ALA 54 Ca 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ft0 h ALA 54 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ft0 h ALA 54 CO -0.13 0.57 -0.26 -0.25 0.00 0.00 0.00 179.25 179.18 3ft0 n ASP 55 N -4.28 0.58 -0.20 0.00 8.00 -1.04 -4.35 116.55 115.26 3ft0 n ASP 55 Ca 0.05 0.31 -0.03 0.00 0.71 0.00 0.00 54.79 55.83 3ft0 n ASP 55 Cb 0.21 -0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3ft0 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3ft0 h MET 56 N 0.00 0.60 -0.04 -1.24 1.85 -1.42 -1.46 114.93 113.21 3ft0 h MET 56 Ca 0.00 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.07 3ft0 h MET 56 Cb 0.66 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.54 3ft0 h MET 56 CO 0.00 0.40 -0.04 0.37 -0.40 0.00 0.00 176.91 177.23 3ft0 h GLN 57 N 0.62 -0.06 -0.63 0.39 4.15 -1.80 -1.83 115.11 115.95 3ft0 h GLN 57 Ca 0.26 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.70 3ft0 h GLN 57 Cb 0.13 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3ft0 h GLN 57 CO -0.16 -0.04 0.40 0.78 -1.93 0.00 0.00 178.83 177.89 3ft0 h GLY 58 N -0.06 0.89 0.90 2.39 0.00 -1.77 -0.78 103.07 104.65 3ft0 h GLY 58 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3ft0 h GLY 58 CO -0.08 0.28 0.19 -2.08 0.00 0.00 0.00 176.54 174.84 3ft0 h VAL 59 N 0.80 1.02 -0.22 4.60 2.07 -1.13 -1.43 116.25 121.95 3ft0 h VAL 59 Ca 0.24 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3ft0 h VAL 59 Cb -0.03 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ft0 h VAL 59 CO -0.08 0.07 0.07 0.58 0.02 0.00 0.00 177.57 178.23 3ft0 h VAL 60 N 0.38 1.19 0.14 2.57 2.07 -1.14 0.16 116.25 121.63 3ft0 h VAL 60 Ca 0.13 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ft0 h VAL 60 Cb 0.02 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ft0 h VAL 60 CO -0.07 0.20 -0.07 0.74 0.02 0.00 0.00 177.57 178.39 3ft0 h THR 61 N 0.19 0.95 -0.17 2.57 2.02 -1.04 0.19 112.91 117.62 3ft0 h THR 61 Ca 0.07 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3ft0 h THR 61 Cb 0.24 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3ft0 h THR 61 CO -0.00 0.09 -0.12 0.44 0.37 0.00 0.00 175.52 176.30 3ft0 h ASP 62 N -0.36 0.26 -0.21 4.18 3.32 -1.28 -2.48 116.42 119.84 3ft0 h ASP 62 Ca -0.02 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3ft0 h ASP 62 Cb 0.29 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3ft0 h ASP 62 CO 0.03 0.41 0.06 1.23 -1.72 0.00 0.00 179.24 179.25 3ft0 h GLY 63 N 0.75 0.36 0.17 2.75 0.00 -0.36 -0.64 103.07 106.11 3ft0 h GLY 63 Ca 0.05 -0.22 0.11 0.00 0.00 0.00 0.00 47.33 47.28 3ft0 h GLY 63 CO 0.02 0.20 0.10 1.98 0.00 0.00 0.00 176.54 178.84 3ft0 h MET 64 N 0.17 0.22 -0.29 4.80 1.85 -0.38 -1.65 114.93 119.66 3ft0 h MET 64 Ca 0.07 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.05 3ft0 h MET 64 Cb 0.24 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 3ft0 h MET 64 CO -0.00 0.15 -0.23 0.00 -0.40 0.00 0.00 176.91 176.43 3ft0 h ALA 65 N 1.48 1.07 -0.90 0.39 0.00 -1.26 -2.76 119.26 117.27 3ft0 h ALA 65 Ca 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ft0 h ALA 65 Cb 0.46 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ft0 h ALA 65 CO -0.41 0.57 0.56 1.03 0.00 0.00 0.00 179.25 181.00 3ft0 h SER 66 N 0.49 1.07 -4.48 0.00 0.87 -0.55 -3.49 113.55 107.46 3ft0 h SER 66 Ca 0.07 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3ft0 h SER 66 Cb 0.66 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3ft0 h SER 66 CO 0.05 0.81 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 3ft0 n GLY 67 N -1.26 -0.39 0.37 5.77 0.00 -0.67 -4.35 105.19 104.65 3ft0 n GLY 67 Ca 0.10 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.37 3ft0 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ft0 h LEU 68 N 0.00 1.03 -0.12 0.99 5.85 -1.88 0.05 115.31 121.23 3ft0 h LEU 68 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ft0 h LEU 68 Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3ft0 h LEU 68 CO 0.00 0.67 0.00 0.47 -0.34 0.00 0.00 178.44 179.24 3ft0 n ASP 69 N -4.50 0.15 -0.99 1.25 9.92 -1.26 -1.74 116.55 119.38 3ft0 n ASP 69 Ca 0.15 0.53 0.07 0.00 -0.53 0.00 0.00 54.79 55.01 3ft0 n ASP 69 Cb 0.16 -0.57 0.26 0.00 -0.64 0.00 0.00 41.12 40.33 3ft0 n ASP 69 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3ft0 n LYS 70 N -1.66 2.90 -2.82 -1.24 5.02 -0.86 -4.96 118.16 114.54 3ft0 n LYS 70 Ca 0.04 -2.90 -0.20 0.00 -2.02 0.00 0.00 58.31 53.23 3ft0 n LYS 70 Cb 0.21 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.36 3ft0 n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ft0 n ASP 71 N -0.53 -5.00 -3.36 4.39 9.92 -0.71 -2.70 116.55 118.55 3ft0 n ASP 71 Ca 0.23 -0.13 -0.24 0.00 -0.53 0.00 0.00 54.79 54.12 3ft0 n ASP 71 Cb 0.94 -4.13 0.01 0.00 -0.64 0.00 0.00 41.12 37.30 3ft0 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ft0 n TYR 72 N -4.00 -1.88 -4.08 1.24 4.01 -0.05 -4.73 117.16 107.66 3ft0 n TYR 72 Ca -0.13 0.53 -0.16 0.00 -0.16 0.00 0.00 57.90 57.99 3ft0 n TYR 72 Cb 0.61 -3.38 -0.15 0.00 -0.31 0.00 0.00 39.34 36.11 3ft0 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ft0 s LEU 73 N -6.63 1.82 0.05 7.72 1.43 -1.10 -4.24 118.68 117.73 3ft0 s LEU 73 Ca 0.41 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 3ft0 s LEU 73 Cb -0.21 -0.24 -0.08 0.00 0.03 0.00 0.00 46.19 45.69 3ft0 s LEU 73 CO 0.51 0.02 1.69 -0.75 0.23 0.00 0.00 176.35 178.05 3ft0 s LYS 74 N 0.16 4.19 0.18 1.70 2.20 -1.26 -4.87 119.74 122.04 3ft0 s LYS 74 Ca -0.01 2.35 -0.33 0.00 -0.36 0.00 0.00 55.97 57.61 3ft0 s LYS 74 Cb -0.05 -3.71 -0.14 0.00 -1.51 0.00 0.00 37.83 32.42 3ft0 s LYS 74 CO -0.00 -0.78 1.48 -2.30 -0.36 0.00 0.00 175.35 173.39 3ft0 n PRO 75 N 6.01 1.95 -1.42 4.03 -0.02 -1.26 -2.01 135.00 142.28 3ft0 n PRO 75 Ca 0.17 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3ft0 n PRO 75 Cb 0.41 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3ft0 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ft0 n ASP 76 N 2.85 -5.12 -4.50 2.55 8.00 -1.26 -4.89 116.55 114.18 3ft0 n ASP 76 Ca 0.15 0.35 -0.50 0.00 0.71 0.00 0.00 54.79 55.51 3ft0 n ASP 76 Cb 0.28 -3.88 -0.06 0.00 -0.02 0.00 0.00 41.12 37.43 3ft0 n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ft0 n ASP 77 N -0.77 2.37 -0.22 -2.24 -0.08 -0.85 -4.82 116.55 109.94 3ft0 n ASP 77 Ca -0.14 0.49 0.30 0.00 -1.51 0.00 0.00 54.79 53.93 3ft0 n ASP 77 Cb 0.54 -1.29 0.73 0.00 2.34 0.00 0.00 41.12 43.43 3ft0 n ASP 77 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3ft0 h SER 78 N 11.97 0.01 1.54 1.67 0.02 -1.91 -2.38 113.55 124.47 3ft0 h SER 78 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3ft0 h SER 78 Cb 1.31 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3ft0 h SER 78 CO 1.00 0.00 -0.01 0.03 -1.14 0.00 0.00 176.83 176.72 3ft0 h ARG 79 N 0.01 0.00 -6.02 3.45 3.08 -1.97 -3.43 114.38 109.50 3ft0 h ARG 79 Ca 0.47 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.93 3ft0 h ARG 79 Cb 1.85 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.82 3ft0 h ARG 79 CO -0.01 0.00 0.61 0.08 -1.07 0.00 0.00 179.97 179.58 3ft0 s VAL 80 N -3.12 4.66 0.03 2.04 1.01 -0.90 -4.52 120.40 119.61 3ft0 s VAL 80 Ca 0.10 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.39 3ft0 s VAL 80 Cb 0.11 -4.27 -0.36 0.00 0.00 0.00 0.00 36.38 31.86 3ft0 s VAL 80 CO 0.61 -0.35 0.99 0.40 0.00 0.00 0.00 175.10 176.75 3ft0 h ILE 81 N 5.65 1.28 -2.78 2.22 2.04 -0.88 -3.48 117.51 121.56 3ft0 h ILE 81 Ca -0.22 -2.70 -0.02 0.00 1.00 0.00 0.00 64.86 62.92 3ft0 h ILE 81 Cb 1.08 3.05 -0.13 0.00 -0.74 0.00 0.00 36.82 40.07 3ft0 h ILE 81 CO 0.95 0.81 0.22 0.00 0.00 0.00 0.00 178.15 180.14 3ft0 s ALA 82 N -2.60 -1.64 -0.10 1.87 0.00 -1.24 -5.01 121.76 113.04 3ft0 s ALA 82 Ca -0.09 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 3ft0 s ALA 82 Cb 0.04 0.70 0.10 0.00 0.00 0.00 0.00 23.12 23.96 3ft0 s ALA 82 CO 0.95 -0.69 0.86 -3.38 0.00 0.00 0.00 175.76 173.50 3ft0 s HIS 83 N -3.26 -0.48 0.62 0.00 -3.43 -1.26 -0.89 115.29 106.59 3ft0 s HIS 83 Ca -0.01 0.78 -0.03 0.00 -0.80 0.00 0.00 55.06 55.00 3ft0 s HIS 83 Cb -0.01 0.44 0.04 0.00 -1.43 0.00 0.00 32.58 31.63 3ft0 s HIS 83 CO -0.09 -0.47 0.89 0.95 -2.00 0.00 0.00 174.74 174.03 3ft0 s THR 84 N -1.33 2.64 0.97 -5.38 -4.23 -0.04 -4.82 115.64 103.45 3ft0 s THR 84 Ca -0.05 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 3ft0 s THR 84 Cb -0.00 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 70.95 3ft0 s THR 84 CO 0.04 -0.06 1.09 -1.59 -0.54 0.00 0.00 174.62 173.56 3ft0 s LYS 85 N -4.99 0.63 0.10 3.99 -2.85 -1.26 -4.56 119.74 110.79 3ft0 s LYS 85 Ca 0.58 0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 55.86 3ft0 s LYS 85 Cb -0.11 -1.75 -0.06 0.00 -2.06 0.00 0.00 37.83 33.85 3ft0 s LYS 85 CO 0.42 -2.62 1.09 -1.17 0.10 0.00 0.00 175.35 173.16 3ft0 s LEU 86 N -6.41 4.43 0.07 2.77 2.96 -1.26 -4.43 118.68 116.81 3ft0 s LEU 86 Ca 0.65 1.94 0.07 0.00 -0.22 0.00 0.00 54.13 56.57 3ft0 s LEU 86 Cb -0.19 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 3ft0 s LEU 86 CO 0.58 -0.28 -0.19 0.27 -1.32 0.00 0.00 176.35 175.41 3ft0 s ILE 87 N 0.44 1.50 0.54 6.68 -4.36 0.87 -4.90 121.20 121.96 3ft0 s ILE 87 Ca 0.52 -1.31 0.07 0.00 -0.26 0.00 0.00 60.65 59.67 3ft0 s ILE 87 Cb -0.27 -1.35 0.04 0.00 1.25 0.00 0.00 42.46 42.13 3ft0 s ILE 87 CO 0.31 0.00 0.48 -0.83 0.24 0.00 0.00 174.94 175.14 3ft0 s GLY 88 N -1.53 2.22 0.41 6.27 0.00 -1.26 -1.06 107.32 112.36 3ft0 s GLY 88 Ca 0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 44.72 43.01 3ft0 s GLY 88 CO 0.03 -1.87 1.06 -1.14 0.00 0.00 0.00 173.10 171.18 3ft0 n SER 89 N -1.84 1.52 0.00 1.64 3.41 -0.60 -1.27 113.62 116.48 3ft0 n SER 89 Ca 0.02 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 3ft0 n SER 89 Cb 0.63 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3ft0 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ft0 n GLY 90 N 1.11 2.26 3.96 5.00 0.00 -0.19 -4.96 105.19 112.37 3ft0 n GLY 90 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3ft0 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ft0 s GLU 91 N -0.02 2.95 0.12 1.61 2.02 -0.40 -4.94 118.70 120.04 3ft0 s GLU 91 Ca 0.00 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 3ft0 s GLU 91 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3ft0 s GLU 91 CO 0.00 -0.34 0.26 -1.59 0.02 0.00 0.00 175.26 173.61 3ft0 s LYS 92 N -4.56 0.99 0.10 1.61 -2.85 -1.26 -2.79 119.74 110.97 3ft0 s LYS 92 Ca 0.50 -0.98 -0.21 0.00 -1.00 0.00 0.00 55.97 54.28 3ft0 s LYS 92 Cb -0.10 0.38 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3ft0 s LYS 92 CO 0.37 -0.35 0.50 0.34 0.10 0.00 0.00 175.35 176.32 3ft0 s ASP 93 N -2.89 -0.41 0.10 0.03 2.15 -0.52 -5.02 116.67 110.11 3ft0 s ASP 93 Ca 0.08 -0.02 0.05 0.00 0.43 0.00 0.00 52.55 53.09 3ft0 s ASP 93 Cb 0.04 0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 3ft0 s ASP 93 CO -0.08 -0.82 -0.13 -0.44 -0.17 0.00 0.00 175.17 173.53 3ft0 s SER 94 N -2.43 1.71 -0.01 -0.34 0.01 -1.26 -0.76 113.70 110.62 3ft0 s SER 94 Ca -0.01 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.52 3ft0 s SER 94 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3ft0 s SER 94 CO -0.08 -0.16 -0.05 0.54 0.41 0.00 0.00 173.24 173.91 3ft0 s VAL 95 N -1.93 0.39 -0.02 3.43 0.11 -0.75 -4.87 120.40 116.75 3ft0 s VAL 95 Ca 0.04 -0.18 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 3ft0 s VAL 95 Cb -0.06 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3ft0 s VAL 95 CO 0.02 0.12 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.77 3ft0 s THR 96 N 0.06 2.01 0.07 5.04 2.01 -1.26 -1.05 115.64 122.53 3ft0 s THR 96 Ca -0.00 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 60.92 3ft0 s THR 96 Cb -0.04 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3ft0 s THR 96 CO -0.00 0.57 -0.05 0.72 -0.69 0.00 0.00 174.62 175.16 3ft0 s PHE 97 N -0.54 0.71 0.03 4.92 -0.12 -0.80 -4.97 117.98 117.20 3ft0 s PHE 97 Ca 0.08 -0.93 -0.30 0.00 -0.05 0.00 0.00 56.93 55.73 3ft0 s PHE 97 Cb -0.10 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 3ft0 s PHE 97 CO -0.00 -0.23 1.05 -0.51 -0.05 0.00 0.00 175.22 175.47 3ft0 s ASP 98 N -2.83 7.28 0.53 1.98 1.01 -1.26 -1.50 116.67 121.89 3ft0 s ASP 98 Ca 0.07 1.78 0.31 0.00 0.71 0.00 0.00 52.55 55.42 3ft0 s ASP 98 Cb 0.05 -2.57 1.45 0.00 1.01 0.00 0.00 42.92 42.85 3ft0 s ASP 98 CO -0.06 -0.31 2.04 0.58 0.21 0.00 0.00 175.17 177.62 3ft0 h VAL 99 N 4.65 0.35 0.00 -1.27 2.07 -1.35 -2.03 116.25 118.67 3ft0 h VAL 99 Ca -0.41 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3ft0 h VAL 99 Cb 1.22 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3ft0 h VAL 99 CO 0.77 0.10 0.00 0.77 0.02 0.00 0.00 177.57 179.22 3ft0 h SER 100 N 0.00 0.00 0.90 0.57 4.64 -1.88 -2.07 113.55 115.71 3ft0 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ft0 h SER 100 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3ft0 h SER 100 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3ft0 n LYS 101 N -2.31 0.08 -3.51 4.77 5.02 -0.76 -4.67 118.16 116.78 3ft0 n LYS 101 Ca 0.00 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 56.09 3ft0 n LYS 101 Cb 0.13 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 3ft0 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ft0 s LEU 102 N -3.49 4.19 0.18 -0.35 1.43 -0.78 -5.08 118.68 114.79 3ft0 s LEU 102 Ca 0.10 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 3ft0 s LEU 102 Cb 0.14 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 3ft0 s LEU 102 CO 0.44 0.03 0.50 -0.54 0.23 0.00 0.00 176.35 177.02 3ft0 s LYS 103 N 0.88 3.80 0.22 1.70 1.02 -1.26 -5.06 119.74 121.04 3ft0 s LYS 103 Ca 0.16 0.24 -0.31 0.00 0.02 0.00 0.00 55.97 56.08 3ft0 s LYS 103 Cb -0.14 -2.77 -0.11 0.00 -0.52 0.00 0.00 37.83 34.29 3ft0 s LYS 103 CO 0.05 0.40 1.64 -1.21 -0.92 0.00 0.00 175.35 175.31 3ft0 s GLU 104 N -2.54 4.15 0.00 1.68 8.01 -1.26 -3.25 118.70 125.50 3ft0 s GLU 104 Ca 0.43 2.53 0.00 0.00 0.01 0.00 0.00 54.97 57.94 3ft0 s GLU 104 Cb -0.12 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 26.62 3ft0 s GLU 104 CO 0.21 -0.67 0.00 0.41 0.01 0.00 0.00 175.26 175.22 3ft0 n GLY 105 N 3.38 2.81 3.75 -1.39 0.00 -1.26 -5.00 105.19 107.49 3ft0 n GLY 105 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3ft0 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ft0 s GLU 106 N 0.00 2.09 -0.18 1.61 2.56 -1.20 -5.04 118.70 118.54 3ft0 s GLU 106 Ca 0.00 1.30 -0.01 0.00 0.00 0.00 0.00 54.97 56.26 3ft0 s GLU 106 Cb 0.00 -1.87 -0.00 0.00 2.00 0.00 0.00 34.13 34.26 3ft0 s GLU 106 CO 0.00 -1.79 -0.12 -1.14 -0.56 0.00 0.00 175.26 171.66 3ft0 s GLN 107 N -4.70 3.28 -0.02 4.30 2.00 -1.26 -4.93 119.66 118.33 3ft0 s GLN 107 Ca 0.64 -0.70 0.06 0.00 -2.00 0.00 0.00 55.36 53.36 3ft0 s GLN 107 Cb -0.19 -2.76 -0.02 0.00 0.80 0.00 0.00 33.01 30.84 3ft0 s GLN 107 CO 0.54 -0.05 -0.21 0.71 -0.50 0.00 0.00 175.29 175.78 3ft0 s TYR 108 N 1.02 2.49 -0.04 1.67 2.02 -1.25 0.29 117.35 123.56 3ft0 s TYR 108 Ca -0.01 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 3ft0 s TYR 108 Cb -0.15 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3ft0 s TYR 108 CO -0.02 0.09 -0.24 -1.64 -1.57 0.00 0.00 175.55 172.17 3ft0 s MET 109 N -0.79 2.15 0.20 -0.62 -1.94 -0.58 -0.91 119.30 116.80 3ft0 s MET 109 Ca 0.11 -0.85 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 3ft0 s MET 109 Cb -0.10 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 3ft0 s MET 109 CO 0.00 0.43 0.29 -0.59 -0.01 0.00 0.00 175.02 175.15 3ft0 s PHE 110 N -0.34 3.40 0.09 -0.03 -0.12 -0.35 -1.98 117.98 118.65 3ft0 s PHE 110 Ca 0.03 0.03 -0.26 0.00 -0.05 0.00 0.00 56.93 56.67 3ft0 s PHE 110 Cb -0.11 -1.59 0.08 0.00 -0.63 0.00 0.00 43.02 40.77 3ft0 s PHE 110 CO 0.01 0.49 0.92 -0.59 -0.05 0.00 0.00 175.22 176.00 3ft0 s PHE 111 N -1.87 -0.23 -0.22 3.49 -0.12 -0.60 -1.21 117.98 117.22 3ft0 s PHE 111 Ca 0.34 -0.01 -0.11 0.00 -0.05 0.00 0.00 56.93 57.10 3ft0 s PHE 111 Cb -0.10 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 3ft0 s PHE 111 CO 0.28 -0.72 0.18 0.00 -0.05 0.00 0.00 175.22 174.91 3ft0 n ALA 113 N 3.97 2.51 -1.77 0.00 0.00 -1.26 -3.16 120.51 120.79 3ft0 n ALA 113 Ca -0.15 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 3ft0 n ALA 113 Cb 0.52 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3ft0 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ft0 s ALA 114 N -1.74 3.51 -0.41 0.00 0.00 -1.26 -4.50 121.76 117.36 3ft0 s ALA 114 Ca 0.30 1.44 -0.44 0.00 0.00 0.00 0.00 51.96 53.26 3ft0 s ALA 114 Cb 0.16 -3.56 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 3ft0 s ALA 114 CO 0.24 -0.91 1.69 0.00 0.00 0.00 0.00 175.76 176.78 3ft0 n ALA 115 N 0.53 -0.76 0.00 0.00 0.00 -1.26 -1.05 120.51 117.96 3ft0 n ALA 115 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3ft0 n ALA 115 Cb 0.40 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3ft0 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ft0 n ALA 116 N 4.83 0.00 -0.06 0.00 0.00 -1.26 -4.90 120.51 119.12 3ft0 n ALA 116 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3ft0 n ALA 116 Cb 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3ft0 n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ft0 h HIS 117 N 0.00 0.58 -0.62 0.00 -0.00 -1.37 -2.02 115.15 111.71 3ft0 h HIS 117 Ca 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.37 60.13 3ft0 h HIS 117 Cb 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 3ft0 h HIS 117 CO 0.00 0.87 0.15 0.00 -0.00 0.00 0.00 177.93 178.95 3ft0 h ALA 118 N 0.61 1.09 -0.77 2.45 0.00 -1.71 -1.77 119.26 119.16 3ft0 h ALA 118 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3ft0 h ALA 118 Cb 0.79 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ft0 h ALA 118 CO 0.05 0.60 0.36 0.00 0.00 0.00 0.00 179.25 180.27 3ft0 h ALA 119 N 1.23 1.18 -0.00 0.00 0.00 -1.88 -1.53 119.26 118.25 3ft0 h ALA 119 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ft0 h ALA 119 Cb 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ft0 h ALA 119 CO -0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3ft0 n ALA 120 N -2.43 2.50 -0.70 0.00 0.00 -0.77 -4.89 120.51 114.22 3ft0 n ALA 120 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3ft0 n ALA 120 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3ft0 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ft0 n ALA 121 N -0.26 0.00 -2.34 0.00 0.00 -0.58 -4.97 120.51 112.37 3ft0 n ALA 121 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3ft0 n ALA 121 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 3ft0 n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ft0 s MET 122 N -0.93 3.27 -0.00 0.00 1.00 -0.71 -4.77 119.30 117.16 3ft0 s MET 122 Ca 0.00 -1.49 -0.29 0.00 0.00 0.00 0.00 55.69 53.91 3ft0 s MET 122 Cb 0.00 -5.38 0.10 0.00 0.00 0.00 0.00 34.83 29.56 3ft0 s MET 122 CO 0.00 -3.02 1.04 -1.59 0.00 0.00 0.00 175.02 171.45 3ft0 s LYS 123 N 5.36 0.74 0.09 2.03 -2.85 -1.26 -1.65 119.74 122.20 3ft0 s LYS 123 Ca 0.60 -0.34 -0.20 0.00 -1.00 0.00 0.00 55.97 55.03 3ft0 s LYS 123 Cb 0.01 0.29 0.07 0.00 -2.06 0.00 0.00 37.83 36.14 3ft0 s LYS 123 CO 0.08 -0.33 0.92 0.41 0.10 0.00 0.00 175.35 176.53 3ft0 n GLY 124 N -0.32 0.57 3.92 0.59 0.00 -0.35 -4.73 105.19 104.88 3ft0 n GLY 124 Ca -0.06 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 3ft0 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ft0 s THR 125 N -2.11 5.11 -0.10 2.61 -4.23 -0.49 -1.21 115.64 115.22 3ft0 s THR 125 Ca 0.21 -0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3ft0 s THR 125 Cb -0.02 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3ft0 s THR 125 CO 0.03 -0.31 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.50 3ft0 s LEU 126 N -3.62 1.22 -0.03 4.79 0.20 -0.09 -0.72 118.68 120.44 3ft0 s LEU 126 Ca 0.41 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.97 3ft0 s LEU 126 Cb -0.11 -0.80 0.00 0.00 -0.43 0.00 0.00 46.19 44.86 3ft0 s LEU 126 CO 0.31 -0.10 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.28 3ft0 s THR 127 N 1.53 0.85 0.33 3.68 2.01 -0.11 -3.91 115.64 120.02 3ft0 s THR 127 Ca 0.01 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 3ft0 s THR 127 Cb -0.13 -0.76 -0.10 0.00 0.01 0.00 0.00 72.50 71.51 3ft0 s THR 127 CO -0.06 0.27 1.34 -0.76 -0.69 0.00 0.00 174.62 174.72 3ft0 s LEU 128 N 0.25 4.41 0.00 4.42 1.43 -1.26 -0.73 118.68 127.21 3ft0 s LEU 128 Ca -0.04 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 3ft0 s LEU 128 Cb -0.10 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3ft0 s LEU 128 CO 0.01 -0.59 0.00 0.29 0.23 0.00 0.00 176.35 176.29