#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu0 s THR 2 N 0.00 4.63 0.03 0.00 2.01 0.32 -4.86 115.64 117.76 1pu0 s THR 2 Ca 0.00 1.16 0.03 0.00 0.31 0.00 0.00 61.69 63.19 1pu0 s THR 2 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1pu0 s THR 2 CO 0.00 0.17 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.47 1pu0 s LYS 3 N -2.08 0.65 0.21 4.92 1.02 -1.26 -0.23 119.74 122.97 1pu0 s LYS 3 Ca 0.43 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 1pu0 s LYS 3 Cb -0.16 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1pu0 s LYS 3 CO 0.20 0.14 0.17 0.00 -0.92 0.00 0.00 175.35 174.93 1pu0 s ALA 4 N -0.83 1.08 -0.00 5.17 0.00 -0.48 -1.27 121.76 125.43 1pu0 s ALA 4 Ca -0.02 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 1pu0 s ALA 4 Cb -0.07 1.37 0.05 0.00 0.00 0.00 0.00 23.12 24.46 1pu0 s ALA 4 CO 0.01 -0.62 0.49 0.54 0.00 0.00 0.00 175.76 176.18 1pu0 s VAL 5 N -4.12 0.03 -0.06 0.00 0.11 0.55 -1.54 120.40 115.38 1pu0 s VAL 5 Ca 0.38 -0.26 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1pu0 s VAL 5 Cb 0.06 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1pu0 s VAL 5 CO 0.12 -0.15 0.11 0.00 -3.33 0.00 0.00 175.10 171.86 1pu0 s VAL 7 N 1.47 5.26 -0.12 0.00 1.01 -1.26 -1.16 120.40 125.60 1pu0 s VAL 7 Ca -0.05 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1pu0 s VAL 7 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1pu0 s VAL 7 CO -0.05 0.09 0.47 -0.76 0.00 0.00 0.00 175.10 174.85 1pu0 s LEU 8 N 1.82 4.27 0.07 3.92 1.43 0.45 -4.00 118.68 126.65 1pu0 s LEU 8 Ca 0.08 0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1pu0 s LEU 8 Cb -0.17 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1pu0 s LEU 8 CO 0.11 0.00 0.19 -0.54 0.23 0.00 0.00 176.35 176.34 1pu0 s LYS 9 N 0.62 0.79 0.00 1.70 1.02 -0.27 -1.97 119.74 121.62 1pu0 s LYS 9 Ca 0.26 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1pu0 s LYS 9 Cb -0.15 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1pu0 s LYS 9 CO 0.10 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1pu0 n GLY 10 N 0.21 2.66 0.06 -3.33 0.00 -1.25 -0.96 105.19 102.58 1pu0 n GLY 10 Ca -0.16 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1pu0 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pu0 n ASP 11 N -0.64 0.51 0.00 1.61 10.43 -1.26 -4.89 116.55 122.32 1pu0 n ASP 11 Ca 0.00 0.40 0.00 0.00 2.57 0.00 0.00 54.79 57.76 1pu0 n ASP 11 Cb 0.00 -0.44 0.00 0.00 1.84 0.00 0.00 41.12 42.52 1pu0 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pu0 n GLY 12 N 1.39 3.79 0.07 0.44 0.00 -1.26 -5.02 105.19 104.59 1pu0 n GLY 12 Ca 0.06 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.29 1pu0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pu0 n PRO 13 N 0.00 0.44 -2.26 1.61 -0.04 -1.26 -4.89 135.00 128.59 1pu0 n PRO 13 Ca 0.00 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1pu0 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1pu0 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pu0 s VAL 14 N -2.66 3.80 0.19 0.52 1.01 -1.26 -4.40 120.40 117.60 1pu0 s VAL 14 Ca 0.24 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 1pu0 s VAL 14 Cb 0.20 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1pu0 s VAL 14 CO 0.51 -0.00 0.52 0.00 0.00 0.00 0.00 175.10 176.13 1pu0 s GLN 15 N 2.36 1.37 0.00 2.72 -2.07 -1.00 -3.79 119.66 119.26 1pu0 s GLN 15 Ca 0.63 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 53.30 1pu0 s GLN 15 Cb -0.30 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1pu0 s GLN 15 CO 0.26 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 1pu0 n GLY 16 N -0.34 -0.30 2.84 2.60 0.00 -0.83 -0.43 105.19 108.74 1pu0 n GLY 16 Ca -0.10 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 1pu0 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu0 s ILE 17 N -2.00 0.54 -0.09 -0.61 1.01 -0.79 -0.41 121.20 118.85 1pu0 s ILE 17 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1pu0 s ILE 17 Cb 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1pu0 s ILE 17 CO 0.00 0.26 -0.23 -0.63 0.00 0.00 0.00 174.94 174.35 1pu0 s ILE 18 N 1.48 1.95 0.08 2.92 -1.09 -0.31 -2.24 121.20 123.99 1pu0 s ILE 18 Ca -0.02 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1pu0 s ILE 18 Cb -0.13 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1pu0 s ILE 18 CO -0.03 0.54 0.11 0.20 -1.23 0.00 0.00 174.94 174.53 1pu0 s ASN 19 N 0.36 5.70 -0.01 3.58 0.01 0.80 -0.61 114.94 124.76 1pu0 s ASN 19 Ca -0.18 0.04 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 1pu0 s ASN 19 Cb -0.18 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 1pu0 s ASN 19 CO 0.08 0.16 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.35 1pu0 s PHE 20 N -1.45 1.11 -0.03 2.20 0.08 -0.59 -1.25 117.98 118.05 1pu0 s PHE 20 Ca 0.31 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 1pu0 s PHE 20 Cb -0.12 -0.73 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1pu0 s PHE 20 CO 0.23 -0.04 0.08 -2.00 -0.10 0.00 0.00 175.22 173.39 1pu0 s GLU 21 N -0.18 0.06 -0.24 0.44 2.12 -0.06 -1.39 118.70 119.45 1pu0 s GLU 21 Ca 0.03 0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.49 1pu0 s GLU 21 Cb -0.06 -0.06 0.08 0.00 0.26 0.00 0.00 34.13 34.35 1pu0 s GLU 21 CO -0.00 -0.07 0.11 -1.14 -0.54 0.00 0.00 175.26 173.61 1pu0 s GLN 22 N 0.47 0.23 0.14 4.30 0.74 0.67 -0.90 119.66 125.31 1pu0 s GLN 22 Ca -0.04 -0.41 -0.13 0.00 0.05 0.00 0.00 55.36 54.84 1pu0 s GLN 22 Cb -0.05 -1.54 -0.02 0.00 1.10 0.00 0.00 33.01 32.50 1pu0 s GLN 22 CO -0.02 -0.86 1.54 0.87 -0.55 0.00 0.00 175.29 176.27 1pu0 h LYS 23 N 8.37 0.84 -6.00 1.67 1.79 -1.82 0.92 116.57 122.35 1pu0 h LYS 23 Ca -0.17 -0.33 -0.60 0.00 -2.18 0.00 0.00 60.65 57.37 1pu0 h LYS 23 Cb 1.07 -0.04 -0.30 0.00 -1.58 0.00 0.00 32.23 31.38 1pu0 h LYS 23 CO 0.38 0.96 -0.85 -1.21 -1.08 0.00 0.00 179.45 177.65 1pu0 s GLU 24 N -4.77 1.66 0.64 3.15 0.41 -1.26 -3.96 118.70 114.57 1pu0 s GLU 24 Ca -0.12 -0.73 0.42 0.00 -0.41 0.00 0.00 54.97 54.12 1pu0 s GLU 24 Cb 0.11 -1.60 2.24 0.00 -1.78 0.00 0.00 34.13 33.09 1pu0 s GLU 24 CO 0.83 0.44 2.31 0.66 -0.49 0.00 0.00 175.26 179.02 1pu0 h SER 25 N 5.62 0.00 -0.28 -0.19 4.64 -1.98 0.16 113.55 121.53 1pu0 h SER 25 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1pu0 h SER 25 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1pu0 h SER 25 CO 0.48 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.98 1pu0 n ASN 26 N -3.17 3.85 -4.46 4.97 6.94 -1.26 -4.92 115.26 117.21 1pu0 n ASN 26 Ca -0.03 -2.91 -0.21 0.00 -0.02 0.00 0.00 54.58 51.42 1pu0 n ASN 26 Cb 0.10 -0.52 0.02 0.00 -2.36 0.00 0.00 39.78 37.02 1pu0 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pu0 n GLY 27 N -0.36 2.53 3.84 4.83 0.00 0.57 -5.12 105.19 111.48 1pu0 n GLY 27 Ca 0.21 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 1pu0 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pu0 s PRO 28 N -4.04 2.75 -0.17 1.61 0.04 -1.26 -4.86 135.00 129.08 1pu0 s PRO 28 Ca 0.35 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.00 1pu0 s PRO 28 Cb -0.03 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1pu0 s PRO 28 CO 0.22 -1.16 0.02 0.08 0.04 0.00 0.00 177.00 176.21 1pu0 s VAL 29 N -3.20 4.44 -0.07 -0.36 1.01 0.65 -4.42 120.40 118.46 1pu0 s VAL 29 Ca 0.58 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 1pu0 s VAL 29 Cb -0.13 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1pu0 s VAL 29 CO 0.54 0.48 0.62 -0.54 0.00 0.00 0.00 175.10 176.19 1pu0 s LYS 30 N 0.35 4.39 -0.14 2.72 1.02 -0.08 -0.53 119.74 127.48 1pu0 s LYS 30 Ca 0.00 0.73 0.01 0.00 0.02 0.00 0.00 55.97 56.73 1pu0 s LYS 30 Cb -0.13 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1pu0 s LYS 30 CO 0.01 0.14 -0.15 0.08 -0.92 0.00 0.00 175.35 174.52 1pu0 s VAL 31 N 0.58 1.58 -0.00 3.17 1.01 -0.13 -0.88 120.40 125.73 1pu0 s VAL 31 Ca 0.33 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1pu0 s VAL 31 Cb -0.17 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1pu0 s VAL 31 CO 0.16 0.46 0.52 -1.66 0.00 0.00 0.00 175.10 174.58 1pu0 s TRP 32 N 1.36 -0.44 -3.38 5.22 -2.14 -0.38 -0.54 118.94 118.64 1pu0 s TRP 32 Ca 0.02 0.65 0.00 0.00 2.66 0.00 0.00 56.10 59.43 1pu0 s TRP 32 Cb -0.13 0.30 0.00 0.00 -3.10 0.00 0.00 33.47 30.54 1pu0 s TRP 32 CO -0.09 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 1pu0 n GLY 33 N 0.80 -0.54 3.24 3.67 0.00 -0.56 -0.14 105.19 111.65 1pu0 n GLY 33 Ca -0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1pu0 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pu0 s SER 34 N -4.00 -0.19 -0.04 1.61 0.15 -0.95 -0.51 113.70 109.77 1pu0 s SER 34 Ca 0.00 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1pu0 s SER 34 Cb 0.00 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1pu0 s SER 34 CO 0.00 -0.44 -0.10 -0.63 1.20 0.00 0.00 173.24 173.27 1pu0 s ILE 35 N -1.30 0.90 0.41 6.45 1.01 -0.19 -1.88 121.20 126.60 1pu0 s ILE 35 Ca -0.13 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1pu0 s ILE 35 Cb -0.05 -0.81 -0.07 0.00 0.01 0.00 0.00 42.46 41.53 1pu0 s ILE 35 CO 0.04 0.28 0.01 -1.59 0.00 0.00 0.00 174.94 173.69 1pu0 s LYS 36 N 0.35 1.97 0.00 2.79 -2.85 0.43 -0.05 119.74 122.38 1pu0 s LYS 36 Ca -0.06 -2.12 0.00 0.00 -1.00 0.00 0.00 55.97 52.78 1pu0 s LYS 36 Cb -0.11 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 1pu0 s LYS 36 CO 0.01 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.79 1pu0 n GLY 37 N -0.98 0.57 3.88 0.59 0.00 -0.86 -2.37 105.19 106.02 1pu0 n GLY 37 Ca -0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1pu0 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu0 s LEU 38 N 0.00 4.09 0.63 0.99 1.43 -0.79 -4.32 118.68 120.71 1pu0 s LEU 38 Ca 0.00 0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 1pu0 s LEU 38 Cb 0.00 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1pu0 s LEU 38 CO 0.00 -0.15 1.13 0.42 0.23 0.00 0.00 176.35 177.97 1pu0 s THR 39 N -1.97 3.13 0.34 5.49 -4.23 -1.26 -4.13 115.64 113.02 1pu0 s THR 39 Ca 0.47 0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 61.27 1pu0 s THR 39 Cb -0.11 -3.13 -0.11 0.00 1.34 0.00 0.00 72.50 70.49 1pu0 s THR 39 CO 0.25 -0.27 1.53 1.21 -0.54 0.00 0.00 174.62 176.80 1pu0 n GLU 40 N -2.10 2.69 0.00 3.99 2.13 -1.26 -4.62 120.64 121.47 1pu0 n GLU 40 Ca 0.11 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.88 1pu0 n GLU 40 Cb 0.51 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.52 1pu0 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pu0 n GLY 41 N 1.12 0.41 3.79 8.31 0.00 -0.10 -4.92 105.19 113.80 1pu0 n GLY 41 Ca 0.04 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1pu0 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu0 s LEU 42 N 0.00 4.48 -0.05 0.99 1.43 -1.26 -1.01 118.68 123.26 1pu0 s LEU 42 Ca 0.00 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1pu0 s LEU 42 Cb 0.00 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.83 1pu0 s LEU 42 CO 0.00 0.13 -0.02 -1.00 0.23 0.00 0.00 176.35 175.69 1pu0 s HIS 43 N -1.31 0.60 0.48 0.29 3.76 -0.22 -2.67 115.29 116.20 1pu0 s HIS 43 Ca 0.39 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.94 1pu0 s HIS 43 Cb -0.20 -0.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.77 1pu0 s HIS 43 CO 0.24 -0.21 1.01 0.41 -0.85 0.00 0.00 174.74 175.33 1pu0 n GLY 44 N 4.38 -0.20 2.82 -2.22 0.00 -0.41 -0.77 105.19 108.79 1pu0 n GLY 44 Ca -0.20 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1pu0 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pu0 s PHE 45 N -1.35 -0.55 0.07 1.61 5.36 -0.49 -0.90 117.98 121.72 1pu0 s PHE 45 Ca 0.67 0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 57.01 1pu0 s PHE 45 Cb -0.51 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 41.94 1pu0 s PHE 45 CO 0.54 -0.71 0.09 -1.01 -1.46 0.00 0.00 175.22 172.68 1pu0 s HIS 46 N 2.43 0.31 -0.20 10.12 3.76 -0.78 -2.23 115.29 128.70 1pu0 s HIS 46 Ca 0.10 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 1pu0 s HIS 46 Cb -0.15 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 1pu0 s HIS 46 CO -0.17 -0.46 0.56 0.08 -0.85 0.00 0.00 174.74 173.90 1pu0 s VAL 47 N -3.78 5.07 0.27 -0.90 1.01 0.04 -0.65 120.40 121.45 1pu0 s VAL 47 Ca 0.05 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.10 1pu0 s VAL 47 Cb 0.06 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1pu0 s VAL 47 CO -0.10 0.14 0.42 -1.00 0.00 0.00 0.00 175.10 174.57 1pu0 s HIS 48 N 1.79 3.47 0.17 5.22 3.76 0.15 -0.55 115.29 129.30 1pu0 s HIS 48 Ca 0.26 0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 1pu0 s HIS 48 Cb -0.16 -1.70 0.06 0.00 1.11 0.00 0.00 32.58 31.90 1pu0 s HIS 48 CO 0.10 0.33 1.70 1.49 -0.85 0.00 0.00 174.74 177.50 1pu0 h GLU 49 N 1.11 0.90 -6.04 1.40 4.81 -0.85 -2.77 114.58 113.15 1pu0 h GLU 49 Ca -0.51 -0.20 -0.68 0.00 -0.13 0.00 0.00 59.36 57.84 1pu0 h GLU 49 Cb 1.22 -0.13 -0.16 0.00 0.63 0.00 0.00 28.75 30.31 1pu0 h GLU 49 CO 0.62 0.81 -0.65 -0.06 -0.73 0.00 0.00 179.01 179.00 1pu0 s PHE 50 N -5.40 3.08 -0.90 0.92 0.08 -0.18 -4.67 117.98 110.90 1pu0 s PHE 50 Ca -0.13 0.13 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 1pu0 s PHE 50 Cb 0.13 -1.76 0.13 0.00 -0.57 0.00 0.00 43.02 40.95 1pu0 s PHE 50 CO 0.80 0.42 2.48 0.41 -0.10 0.00 0.00 175.22 179.24 1pu0 n GLY 51 N 2.16 4.95 3.18 4.36 0.00 -1.09 -3.71 105.19 115.03 1pu0 n GLY 51 Ca -0.18 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 1pu0 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pu0 s ASP 52 N 0.13 4.97 -0.19 1.61 3.68 -1.26 -4.95 116.67 120.65 1pu0 s ASP 52 Ca 0.55 -1.34 0.16 0.00 2.13 0.00 0.00 52.55 54.04 1pu0 s ASP 52 Cb 0.29 -1.74 0.63 0.00 -1.45 0.00 0.00 42.92 40.65 1pu0 s ASP 52 CO -0.17 -0.30 1.54 -3.20 0.13 0.00 0.00 175.17 173.17 1pu0 n ASN 53 N 4.63 4.54 0.26 -0.34 2.85 -1.26 -3.24 115.26 122.70 1pu0 n ASN 53 Ca -0.12 -2.96 0.12 0.00 -0.11 0.00 0.00 54.58 51.52 1pu0 n ASN 53 Cb 0.43 -0.59 0.68 0.00 1.24 0.00 0.00 39.78 41.54 1pu0 n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1pu0 h THR 54 N 2.63 0.56 -0.67 -0.44 1.35 -1.93 -1.64 112.91 112.78 1pu0 h THR 54 Ca 0.00 -0.64 -0.47 0.00 -0.55 0.00 0.00 66.41 64.75 1pu0 h THR 54 Cb 1.62 1.42 -0.33 0.00 -1.73 0.00 0.00 68.15 69.13 1pu0 h THR 54 CO 0.31 0.14 -0.47 0.00 -0.25 0.00 0.00 175.52 175.25 1pu0 n ALA 55 N -2.27 5.00 -0.96 6.62 0.00 -1.26 -5.03 120.51 122.61 1pu0 n ALA 55 Ca -0.01 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1pu0 n ALA 55 Cb 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1pu0 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 56 N -0.83 2.71 0.13 0.00 0.00 -0.62 -2.17 105.19 104.41 1pu0 n GLY 56 Ca 0.43 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1pu0 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pu0 h THR 58 N 0.00 1.20 -0.07 0.00 2.02 -1.77 -2.39 112.91 111.89 1pu0 h THR 58 Ca 0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1pu0 h THR 58 Cb 0.53 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1pu0 h THR 58 CO 0.00 0.31 0.00 -1.54 0.37 0.00 0.00 175.52 174.66 1pu0 n SER 59 N -4.13 0.97 0.00 4.18 3.41 -1.21 -3.93 113.62 112.92 1pu0 n SER 59 Ca -0.02 -1.51 0.10 0.00 -0.26 0.00 0.00 58.87 57.18 1pu0 n SER 59 Cb 0.36 -0.05 0.46 0.00 -0.26 0.00 0.00 64.21 64.73 1pu0 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pu0 n ALA 60 N -0.17 1.99 0.00 7.33 0.00 -0.90 -4.52 120.51 124.24 1pu0 n ALA 60 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pu0 n ALA 60 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1pu0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 61 N 0.64 -2.05 3.24 0.00 0.00 -1.25 -1.02 105.19 104.75 1pu0 n GLY 61 Ca 0.06 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 1pu0 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pu0 n PRO 62 N 0.00 -1.21 -1.74 1.61 -0.04 -1.26 -4.60 135.00 127.76 1pu0 n PRO 62 Ca 0.00 -1.72 -0.40 0.00 -0.04 0.00 0.00 63.50 61.34 1pu0 n PRO 62 Cb 0.00 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1pu0 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pu0 n HIS 63 N -3.61 2.46 -1.79 0.54 8.25 -1.26 -0.77 115.22 119.03 1pu0 n HIS 63 Ca 0.14 0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 57.64 1pu0 n HIS 63 Cb 0.49 -2.42 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 1pu0 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1pu0 s PHE 64 N -1.20 1.52 -0.38 4.41 5.99 0.29 -4.47 117.98 124.13 1pu0 s PHE 64 Ca 0.62 -0.12 0.10 0.00 0.00 0.00 0.00 56.93 57.53 1pu0 s PHE 64 Cb -0.47 -4.11 0.30 0.00 0.00 0.00 0.00 43.02 38.75 1pu0 s PHE 64 CO 0.57 -4.78 0.65 -1.71 -0.00 0.00 0.00 175.22 169.95 1pu0 n ASN 65 N 7.90 0.37 0.31 6.13 5.15 -1.26 -1.35 115.26 132.50 1pu0 n ASN 65 Ca 0.20 -2.89 0.19 0.00 -0.60 0.00 0.00 54.58 51.49 1pu0 n ASN 65 Cb 0.42 -0.51 0.97 0.00 -0.53 0.00 0.00 39.78 40.13 1pu0 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1pu0 h PRO 66 N 3.48 0.00 -0.38 1.20 0.13 -1.97 -2.64 132.00 131.82 1pu0 h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1pu0 h PRO 66 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1pu0 h PRO 66 CO 0.47 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.54 1pu0 n LEU 67 N -3.21 3.44 -3.41 1.56 4.77 -1.26 -4.97 117.00 113.92 1pu0 n LEU 67 Ca -0.02 -1.49 -0.17 0.00 -0.03 0.00 0.00 56.01 54.30 1pu0 n LEU 67 Cb 0.17 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1pu0 n LEU 67 CO 0.24 0.74 0.10 -1.20 -1.33 0.00 0.00 177.39 175.94 1pu0 n SER 68 N 1.48 -2.39 -4.89 -1.43 7.64 -1.00 -5.03 113.62 108.01 1pu0 n SER 68 Ca 0.19 -0.63 -0.24 0.00 1.01 0.00 0.00 58.87 59.20 1pu0 n SER 68 Cb 0.60 -5.13 -0.01 0.00 -1.01 0.00 0.00 64.21 58.66 1pu0 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pu0 s ARG 69 N -5.29 2.32 0.58 1.43 0.52 -1.26 -5.13 118.95 112.12 1pu0 s ARG 69 Ca 0.03 -1.87 -0.14 0.00 -0.52 0.00 0.00 55.73 53.24 1pu0 s ARG 69 Cb -0.00 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1pu0 s ARG 69 CO 0.73 -0.48 1.02 0.15 0.02 0.00 0.00 175.30 176.73 1pu0 s LYS 70 N -4.23 3.67 0.39 3.54 1.02 -1.26 -4.67 119.74 118.20 1pu0 s LYS 70 Ca 0.40 0.91 -0.27 0.00 0.02 0.00 0.00 55.97 57.02 1pu0 s LYS 70 Cb -0.02 -2.09 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 1pu0 s LYS 70 CO 0.24 -0.51 1.43 -1.58 -0.92 0.00 0.00 175.35 174.02 1pu0 s HIS 71 N -2.84 2.64 0.13 3.18 5.65 -0.34 -3.06 115.29 120.65 1pu0 s HIS 71 Ca 0.58 1.24 -0.01 0.00 0.25 0.00 0.00 55.06 57.12 1pu0 s HIS 71 Cb -0.11 -3.92 0.01 0.00 -1.18 0.00 0.00 32.58 27.37 1pu0 s HIS 71 CO 0.42 -2.75 0.20 0.41 -0.65 0.00 0.00 174.74 172.36 1pu0 n GLY 72 N 0.55 2.57 3.89 1.59 0.00 -1.25 -4.34 105.19 108.19 1pu0 n GLY 72 Ca 0.02 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1pu0 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pu0 s GLY 73 N -1.79 1.62 0.55 -0.02 0.00 -1.13 -4.67 107.32 101.88 1pu0 s GLY 73 Ca 0.10 -0.40 0.30 0.00 0.00 0.00 0.00 44.72 44.72 1pu0 s GLY 73 CO 0.07 -0.07 2.14 -0.56 0.00 0.00 0.00 173.10 174.68 1pu0 h PRO 74 N -0.50 0.00 -0.34 2.90 0.13 -1.88 -2.05 132.00 130.26 1pu0 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pu0 h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pu0 h PRO 74 CO 0.63 0.08 0.00 1.63 -0.23 0.00 0.00 178.00 180.10 1pu0 n LYS 75 N -3.58 2.23 -3.02 0.86 4.76 -1.26 -4.91 118.16 113.23 1pu0 n LYS 75 Ca -0.02 -1.86 -0.35 0.00 -2.87 0.00 0.00 58.31 53.21 1pu0 n LYS 75 Cb 0.19 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 31.86 1pu0 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pu0 s ASP 76 N -1.44 7.03 0.19 4.39 -0.00 -0.77 -4.97 116.67 121.10 1pu0 s ASP 76 Ca 0.36 1.49 -0.01 0.00 -0.00 0.00 0.00 52.55 54.39 1pu0 s ASP 76 Cb 0.20 -2.45 0.10 0.00 -0.00 0.00 0.00 42.92 40.77 1pu0 s ASP 76 CO 0.29 -0.08 1.47 -0.08 -0.00 0.00 0.00 175.17 176.77 1pu0 h GLU 77 N 2.95 0.43 -5.65 8.23 4.22 -1.91 -3.38 114.58 119.48 1pu0 h GLU 77 Ca -0.48 -0.32 -0.61 0.00 0.08 0.00 0.00 59.36 58.03 1pu0 h GLU 77 Cb 1.19 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 1pu0 h GLU 77 CO 0.65 0.95 0.64 -2.00 -2.18 0.00 0.00 179.01 177.06 1pu0 s GLU 78 N -3.75 3.14 0.12 1.92 2.56 -1.26 -4.97 118.70 116.46 1pu0 s GLU 78 Ca -0.06 -0.67 -0.16 0.00 0.00 0.00 0.00 54.97 54.08 1pu0 s GLU 78 Cb 0.11 -4.20 0.03 0.00 2.00 0.00 0.00 34.13 32.07 1pu0 s GLU 78 CO 0.84 -1.85 0.38 -0.98 -0.56 0.00 0.00 175.26 173.09 1pu0 s ARG 79 N 4.37 1.03 0.45 4.30 1.70 -1.23 -3.96 118.95 125.62 1pu0 s ARG 79 Ca 0.25 -0.70 -0.24 0.00 -0.47 0.00 0.00 55.73 54.57 1pu0 s ARG 79 Cb -0.15 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.61 1pu0 s ARG 79 CO 0.12 -0.40 1.30 -1.01 -1.08 0.00 0.00 175.30 174.23 1pu0 s HIS 80 N -3.70 2.67 0.48 5.89 3.76 -1.17 -4.68 115.29 118.54 1pu0 s HIS 80 Ca 0.02 1.41 0.19 0.00 -0.15 0.00 0.00 55.06 56.53 1pu0 s HIS 80 Cb 0.02 -3.67 1.21 0.00 1.11 0.00 0.00 32.58 31.25 1pu0 s HIS 80 CO -0.11 -2.25 2.00 0.28 -0.85 0.00 0.00 174.74 173.81 1pu0 h VAL 81 N 2.08 0.84 0.00 -0.90 2.07 -1.86 -1.92 116.25 116.56 1pu0 h VAL 81 Ca -0.50 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1pu0 h VAL 81 Cb 1.26 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1pu0 h VAL 81 CO 0.61 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1pu0 n GLY 82 N -1.57 -0.96 3.57 2.17 0.00 -0.46 -4.44 105.19 103.50 1pu0 n GLY 82 Ca 0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1pu0 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pu0 s ASP 83 N -1.96 6.36 -0.14 1.61 1.01 -0.72 -0.78 116.67 122.04 1pu0 s ASP 83 Ca 0.44 -0.01 0.15 0.00 0.71 0.00 0.00 52.55 53.85 1pu0 s ASP 83 Cb 0.20 -2.55 0.56 0.00 1.01 0.00 0.00 42.92 42.13 1pu0 s ASP 83 CO 0.34 -1.58 1.47 0.18 0.21 0.00 0.00 175.17 175.79 1pu0 n LEU 84 N 8.74 4.09 0.00 1.23 4.77 -0.94 -3.80 117.00 131.08 1pu0 n LEU 84 Ca 0.07 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 1pu0 n LEU 84 Cb 0.49 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1pu0 n LEU 84 CO 0.71 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 1pu0 n GLY 85 N 0.10 1.01 3.32 -0.72 0.00 -1.20 -4.80 105.19 102.89 1pu0 n GLY 85 Ca 0.21 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1pu0 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pu0 s ASN 86 N -4.00 2.82 0.22 1.61 0.01 -1.26 -1.40 114.94 112.93 1pu0 s ASN 86 Ca 0.00 -0.66 0.06 0.00 -0.71 0.00 0.00 52.86 51.54 1pu0 s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1pu0 s ASN 86 CO 0.00 0.13 0.20 0.68 -1.51 0.00 0.00 177.10 176.61 1pu0 s VAL 87 N -1.03 4.62 -0.18 1.60 -7.23 0.05 -4.90 120.40 113.34 1pu0 s VAL 87 Ca 0.09 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1pu0 s VAL 87 Cb -0.10 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.41 1pu0 s VAL 87 CO 0.04 -0.25 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.49 1pu0 s THR 88 N -1.97 2.01 -0.02 5.32 2.01 -1.26 -1.06 115.64 120.67 1pu0 s THR 88 Ca 0.32 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.25 1pu0 s THR 88 Cb -0.09 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1pu0 s THR 88 CO 0.25 0.53 0.46 0.00 -0.69 0.00 0.00 174.62 175.17 1pu0 s ALA 89 N 1.29 3.61 0.94 7.40 0.00 -0.18 -4.09 121.76 130.74 1pu0 s ALA 89 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 1pu0 s ALA 89 Cb -0.13 -2.51 0.08 0.00 0.00 0.00 0.00 23.12 20.56 1pu0 s ALA 89 CO -0.12 0.33 0.49 -0.40 0.00 0.00 0.00 175.76 176.05 1pu0 n ASP 90 N 2.33 0.10 0.04 0.00 3.85 -0.47 -0.92 116.55 121.48 1pu0 n ASP 90 Ca -0.11 -1.21 0.10 0.00 -0.71 0.00 0.00 54.79 52.86 1pu0 n ASP 90 Cb 0.52 -0.37 0.43 0.00 -1.35 0.00 0.00 41.12 40.35 1pu0 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1pu0 n LYS 91 N -2.02 0.08 -0.08 0.11 2.85 -1.26 -1.43 118.16 116.40 1pu0 n LYS 91 Ca 0.06 0.23 0.10 0.00 -1.05 0.00 0.00 58.31 57.66 1pu0 n LYS 91 Cb 0.22 -1.62 0.38 0.00 -0.65 0.00 0.00 35.03 33.35 1pu0 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1pu0 n ASP 92 N -1.76 1.51 -0.08 -5.58 10.43 -1.26 -4.87 116.55 114.93 1pu0 n ASP 92 Ca 0.04 -1.70 -0.01 0.00 2.57 0.00 0.00 54.79 55.69 1pu0 n ASP 92 Cb 0.25 -0.10 -0.00 0.00 1.84 0.00 0.00 41.12 43.11 1pu0 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pu0 n GLY 93 N 1.09 0.48 3.37 0.44 0.00 -0.52 -4.76 105.19 105.29 1pu0 n GLY 93 Ca 0.16 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1pu0 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pu0 s VAL 94 N -2.03 3.32 -0.24 1.61 1.01 -1.26 -1.88 120.40 120.94 1pu0 s VAL 94 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1pu0 s VAL 94 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1pu0 s VAL 94 CO 0.00 0.48 0.06 0.00 0.00 0.00 0.00 175.10 175.64 1pu0 s ALA 95 N 0.78 3.17 -0.31 5.51 0.00 0.93 -1.37 121.76 130.47 1pu0 s ALA 95 Ca -0.03 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1pu0 s ALA 95 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1pu0 s ALA 95 CO 0.01 -0.39 0.19 -0.51 0.00 0.00 0.00 175.76 175.06 1pu0 s ASP 96 N 1.44 5.84 -0.12 0.00 1.01 -1.26 -1.02 116.67 122.56 1pu0 s ASP 96 Ca 0.05 -0.30 -0.11 0.00 0.71 0.00 0.00 52.55 52.90 1pu0 s ASP 96 Cb -0.15 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1pu0 s ASP 96 CO 0.03 -0.15 0.25 -0.69 0.21 0.00 0.00 175.17 174.82 1pu0 s VAL 97 N 1.70 5.33 -0.28 -1.27 1.01 0.34 -4.84 120.40 122.38 1pu0 s VAL 97 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1pu0 s VAL 97 Cb -0.17 -3.55 0.17 0.00 0.00 0.00 0.00 36.38 32.83 1pu0 s VAL 97 CO 0.09 0.51 0.51 -0.55 0.00 0.00 0.00 175.10 175.65 1pu0 s SER 98 N -0.33 -0.69 0.05 3.32 0.15 -1.25 -1.50 113.70 113.45 1pu0 s SER 98 Ca 0.16 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.22 1pu0 s SER 98 Cb -0.13 1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 65.84 1pu0 s SER 98 CO 0.05 -0.29 -0.11 -0.63 1.20 0.00 0.00 173.24 173.46 1pu0 s ILE 99 N 2.72 0.82 -0.04 6.45 1.01 0.30 -5.01 121.20 127.44 1pu0 s ILE 99 Ca 0.15 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1pu0 s ILE 99 Cb -0.14 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1pu0 s ILE 99 CO -0.22 -0.22 -0.13 -0.70 0.00 0.00 0.00 174.94 173.67 1pu0 s GLU 100 N -1.44 1.47 0.00 2.79 2.12 -1.26 -0.95 118.70 121.42 1pu0 s GLU 100 Ca -0.04 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1pu0 s GLU 100 Cb -0.09 -1.28 -0.01 0.00 0.26 0.00 0.00 34.13 33.02 1pu0 s GLU 100 CO 0.01 0.12 -0.06 0.34 -0.54 0.00 0.00 175.26 175.13 1pu0 s ASP 101 N 0.32 0.69 -0.03 -1.70 -1.08 0.31 -4.96 116.67 110.22 1pu0 s ASP 101 Ca -0.07 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 51.88 1pu0 s ASP 101 Cb -0.12 -0.06 0.27 0.00 -1.46 0.00 0.00 42.92 41.55 1pu0 s ASP 101 CO 0.02 0.03 1.21 -1.54 0.52 0.00 0.00 175.17 175.41 1pu0 n SER 102 N 2.72 2.82 -0.11 -0.34 3.41 -1.26 -0.25 113.62 120.60 1pu0 n SER 102 Ca -0.14 -2.18 -0.19 0.00 -0.26 0.00 0.00 58.87 56.09 1pu0 n SER 102 Cb 0.58 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1pu0 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pu0 n VAL 103 N 0.06 1.21 -1.26 -3.33 0.31 -1.26 -4.92 118.33 109.14 1pu0 n VAL 103 Ca 0.10 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.74 1pu0 n VAL 103 Cb 0.46 -1.52 0.10 0.00 -0.91 0.00 0.00 33.84 31.96 1pu0 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1pu0 s ILE 104 N -2.41 3.26 0.06 2.52 -4.36 -1.26 -5.04 121.20 113.96 1pu0 s ILE 104 Ca -0.30 0.41 -0.07 0.00 -0.26 0.00 0.00 60.65 60.43 1pu0 s ILE 104 Cb 0.10 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 1pu0 s ILE 104 CO 0.44 -0.53 0.15 -0.55 0.24 0.00 0.00 174.94 174.68 1pu0 s SER 105 N -3.40 0.15 0.00 4.36 0.15 -1.26 -4.60 113.70 109.10 1pu0 s SER 105 Ca 0.61 -0.58 0.24 0.00 0.70 0.00 0.00 55.95 56.92 1pu0 s SER 105 Cb -0.17 0.28 0.45 0.00 -1.71 0.00 0.00 66.02 64.87 1pu0 s SER 105 CO 0.56 -0.61 1.41 0.18 1.20 0.00 0.00 173.24 175.98 1pu0 n LEU 106 N 0.37 2.87 -4.00 3.45 4.77 -1.26 -1.22 117.00 121.97 1pu0 n LEU 106 Ca -0.17 -1.12 -0.11 0.00 -0.03 0.00 0.00 56.01 54.59 1pu0 n LEU 106 Cb 0.60 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1pu0 n LEU 106 CO 0.23 0.56 0.23 -0.94 -1.33 0.00 0.00 177.39 176.13 1pu0 s SER 107 N -1.72 0.27 0.00 -1.43 1.04 -1.26 -4.80 113.70 105.80 1pu0 s SER 107 Ca 0.34 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1pu0 s SER 107 Cb 0.21 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1pu0 s SER 107 CO 0.31 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1pu0 n GLY 108 N -0.47 -0.30 0.34 7.32 0.00 -1.26 -3.76 105.19 107.06 1pu0 n GLY 108 Ca -0.02 -1.72 0.19 0.00 0.00 0.00 0.00 46.02 44.47 1pu0 n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1pu0 h ASP 109 N 0.00 0.00 -0.49 1.61 2.03 -2.01 -0.99 116.42 116.57 1pu0 h ASP 109 Ca 0.00 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.97 1pu0 h ASP 109 Cb 0.00 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 38.27 1pu0 h ASP 109 CO 0.00 0.00 -0.38 1.41 -1.03 0.00 0.00 179.24 179.24 1pu0 n HIS 110 N -3.15 1.70 -1.55 4.15 8.25 -1.26 -5.07 115.22 118.28 1pu0 n HIS 110 Ca -0.02 -1.97 -0.30 0.00 -0.26 0.00 0.00 57.72 55.18 1pu0 n HIS 110 Cb 0.24 -0.47 0.09 0.00 1.12 0.00 0.00 29.99 30.98 1pu0 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pu0 n ILE 112 N -3.46 0.15 -2.09 0.00 -5.35 -0.36 -4.93 119.36 103.31 1pu0 n ILE 112 Ca 0.07 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.60 1pu0 n ILE 112 Cb 0.57 1.24 -0.02 0.00 -1.74 0.00 0.00 39.64 39.68 1pu0 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1pu0 s ILE 113 N -1.85 2.77 0.00 7.28 1.01 -1.26 -1.87 121.20 127.27 1pu0 s ILE 113 Ca 0.32 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.66 1pu0 s ILE 113 Cb 0.21 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1pu0 s ILE 113 CO 0.31 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1pu0 n GLY 114 N 1.59 0.86 3.59 6.18 0.00 0.94 -4.98 105.19 113.37 1pu0 n GLY 114 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1pu0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu0 n ARG 115 N -2.06 0.68 -4.67 1.61 1.74 -0.78 -2.67 116.66 110.50 1pu0 n ARG 115 Ca 0.00 -3.06 -0.33 0.00 -0.77 0.00 0.00 57.85 53.69 1pu0 n ARG 115 Cb 0.00 0.06 -0.14 0.00 -1.02 0.00 0.00 32.46 31.36 1pu0 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pu0 s THR 116 N -2.45 3.11 -0.09 0.55 2.01 -1.04 -0.73 115.64 117.00 1pu0 s THR 116 Ca 0.43 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 1pu0 s THR 116 Cb -0.03 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1pu0 s THR 116 CO 0.27 0.51 0.50 -0.22 -0.69 0.00 0.00 174.62 175.00 1pu0 s LEU 117 N 0.45 4.32 -0.04 4.42 2.96 -0.57 0.31 118.68 130.53 1pu0 s LEU 117 Ca -0.09 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 54.77 1pu0 s LEU 117 Cb -0.16 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.78 1pu0 s LEU 117 CO 0.04 0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.24 1pu0 s VAL 118 N 0.37 1.44 -0.07 1.68 1.01 0.17 -2.02 120.40 122.99 1pu0 s VAL 118 Ca 0.27 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1pu0 s VAL 118 Cb -0.16 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1pu0 s VAL 118 CO 0.12 0.41 -0.18 0.54 0.00 0.00 0.00 175.10 175.99 1pu0 s VAL 119 N -0.09 2.66 0.38 2.92 0.11 -0.55 -1.86 120.40 123.97 1pu0 s VAL 119 Ca -0.01 -0.85 0.08 0.00 -2.93 0.00 0.00 61.98 58.27 1pu0 s VAL 119 Cb -0.10 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1pu0 s VAL 119 CO 0.01 0.57 0.26 -1.00 -3.33 0.00 0.00 175.10 171.62 1pu0 s HIS 120 N -0.27 2.74 0.12 1.54 3.76 -0.08 -1.14 115.29 121.96 1pu0 s HIS 120 Ca 0.01 -0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 1pu0 s HIS 120 Cb -0.13 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.60 1pu0 s HIS 120 CO 0.03 0.12 1.71 1.49 -0.85 0.00 0.00 174.74 177.24 1pu0 h GLU 121 N 1.28 -0.01 -5.40 1.40 4.81 -0.79 -3.39 114.58 112.47 1pu0 h GLU 121 Ca -0.43 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.20 1pu0 h GLU 121 Cb 1.26 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.51 1pu0 h GLU 121 CO 0.61 -0.01 -0.57 0.15 -0.73 0.00 0.00 179.01 178.46 1pu0 s LYS 122 N -6.20 1.95 0.50 1.92 1.02 -0.52 -4.91 119.74 113.50 1pu0 s LYS 122 Ca -0.13 -2.15 -0.23 0.00 0.02 0.00 0.00 55.97 53.48 1pu0 s LYS 122 Cb 0.09 -1.37 -0.06 0.00 -0.52 0.00 0.00 37.83 35.98 1pu0 s LYS 122 CO 0.68 -0.19 1.31 0.00 -0.92 0.00 0.00 175.35 176.23 1pu0 s ALA 123 N -2.91 2.93 -0.13 5.17 0.00 -1.09 -1.29 121.76 124.43 1pu0 s ALA 123 Ca 0.27 1.23 -0.24 0.00 0.00 0.00 0.00 51.96 53.22 1pu0 s ALA 123 Cb 0.07 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1pu0 s ALA 123 CO 0.13 -1.13 0.77 0.34 0.00 0.00 0.00 175.76 175.88 1pu0 s ASP 124 N -1.00 6.95 0.00 0.00 3.68 -1.26 -3.84 116.67 121.19 1pu0 s ASP 124 Ca 0.67 1.16 0.06 0.00 2.13 0.00 0.00 52.55 56.57 1pu0 s ASP 124 Cb -0.37 -2.43 0.26 0.00 -1.45 0.00 0.00 42.92 38.92 1pu0 s ASP 124 CO 0.45 -0.29 1.19 -0.90 0.13 0.00 0.00 175.17 175.75 1pu0 n ASP 125 N 4.71 0.66 -2.09 -0.34 3.85 -0.22 -4.88 116.55 118.25 1pu0 n ASP 125 Ca 0.02 -1.92 -0.19 0.00 -0.71 0.00 0.00 54.79 51.99 1pu0 n ASP 125 Cb 0.50 -0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 40.16 1pu0 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1pu0 n LEU 126 N -0.18 -1.60 0.00 -2.12 4.77 -1.26 -1.76 117.00 114.85 1pu0 n LEU 126 Ca 0.06 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1pu0 n LEU 126 Cb 0.11 -2.70 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1pu0 n LEU 126 CO 0.04 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1pu0 n GLY 127 N -0.73 0.59 1.21 -0.72 0.00 -1.25 -2.86 105.19 101.43 1pu0 n GLY 127 Ca -0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.85 1pu0 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pu0 n LYS 128 N -2.81 3.08 0.00 1.61 4.76 -0.72 -4.55 118.16 119.54 1pu0 n LYS 128 Ca 0.00 -2.97 0.15 0.00 -2.87 0.00 0.00 58.31 52.62 1pu0 n LYS 128 Cb 0.00 -1.94 0.71 0.00 -1.84 0.00 0.00 35.03 31.95 1pu0 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pu0 n GLY 129 N -0.44 -1.07 2.35 0.72 0.00 -1.26 -4.93 105.19 100.56 1pu0 n GLY 129 Ca 0.27 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1pu0 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pu0 n GLY 130 N 1.25 0.97 3.20 -0.02 0.00 -1.26 -4.92 105.19 104.41 1pu0 n GLY 130 Ca 0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1pu0 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu0 s ASN 131 N -2.74 0.24 0.49 1.61 2.20 -1.26 -5.02 114.94 110.46 1pu0 s ASN 131 Ca 0.00 -1.05 0.18 0.00 -0.94 0.00 0.00 52.86 51.05 1pu0 s ASN 131 Cb 0.00 0.33 1.22 0.00 -2.00 0.00 0.00 41.25 40.80 1pu0 s ASN 131 CO 0.00 -0.76 2.07 -0.33 -2.94 0.00 0.00 177.10 175.14 1pu0 h GLU 132 N 2.80 0.00 -0.43 3.55 5.08 -1.99 0.09 114.58 123.68 1pu0 h GLU 132 Ca -0.34 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1pu0 h GLU 132 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1pu0 h GLU 132 CO 0.56 0.11 -0.06 1.49 -1.00 0.00 0.00 179.01 180.12 1pu0 h GLU 133 N 0.00 0.73 -0.73 2.33 4.57 -1.98 -2.87 114.58 116.63 1pu0 h GLU 133 Ca -0.00 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1pu0 h GLU 133 Cb 0.22 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1pu0 h GLU 133 CO 0.01 0.78 0.44 1.03 -1.18 0.00 0.00 179.01 180.09 1pu0 h SER 134 N 0.67 0.86 -0.36 1.04 0.87 -1.32 -0.53 113.55 114.79 1pu0 h SER 134 Ca 0.13 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1pu0 h SER 134 Cb 0.50 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1pu0 h SER 134 CO 0.03 0.66 0.00 0.35 -0.53 0.00 0.00 176.83 177.34 1pu0 n THR 135 N -4.39 0.78 -0.03 2.23 -2.24 -1.09 -1.60 114.28 107.94 1pu0 n THR 135 Ca 0.08 -0.58 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1pu0 n THR 135 Cb 0.07 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1pu0 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pu0 n LYS 136 N 0.54 0.25 0.00 -0.78 4.81 -0.69 -1.20 118.16 121.09 1pu0 n LYS 136 Ca 0.13 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1pu0 n LYS 136 Cb 0.44 -0.94 0.00 0.00 0.02 0.00 0.00 35.03 34.56 1pu0 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1pu0 n THR 137 N -3.84 0.00 -1.00 3.15 -2.24 -0.29 -4.67 114.28 105.38 1pu0 n THR 137 Ca -0.12 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1pu0 n THR 137 Cb 0.36 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1pu0 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pu0 n GLY 138 N 0.34 0.41 2.72 3.38 0.00 -0.62 -3.36 105.19 108.05 1pu0 n GLY 138 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1pu0 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pu0 n ASN 139 N -0.17 -5.93 -0.26 1.61 3.02 -1.26 -1.05 115.26 111.23 1pu0 n ASN 139 Ca -0.00 -0.17 0.15 0.00 -0.03 0.00 0.00 54.58 54.53 1pu0 n ASN 139 Cb 0.10 -4.83 0.70 0.00 -0.61 0.00 0.00 39.78 35.14 1pu0 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu0 n ALA 140 N -2.84 2.64 -0.52 5.41 0.00 -1.21 -4.70 120.51 119.28 1pu0 n ALA 140 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1pu0 n ALA 140 Cb 0.65 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1pu0 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 141 N 1.12 0.16 3.72 0.00 0.00 -1.26 -1.44 105.19 107.48 1pu0 n GLY 141 Ca 0.21 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1pu0 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 142 N -4.00 3.72 -0.36 1.61 1.04 -1.26 -4.59 113.70 109.85 1pu0 s SER 142 Ca 0.00 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.09 1pu0 s SER 142 Cb 0.00 -2.45 -0.00 0.00 0.10 0.00 0.00 66.02 63.67 1pu0 s SER 142 CO 0.00 -2.54 0.44 -0.13 0.98 0.00 0.00 173.24 172.00 1pu0 s ARG 143 N -4.82 3.48 0.05 4.02 0.52 -1.26 -0.54 118.95 120.38 1pu0 s ARG 143 Ca 0.63 -0.39 0.14 0.00 -0.52 0.00 0.00 55.73 55.59 1pu0 s ARG 143 Cb -0.19 -3.84 -0.17 0.00 0.52 0.00 0.00 34.95 31.27 1pu0 s ARG 143 CO 0.57 -0.65 0.87 -0.07 0.02 0.00 0.00 175.30 176.04 1pu0 h LEU 144 N 8.97 0.00 -7.00 2.53 3.38 -1.43 -3.48 115.31 118.29 1pu0 h LEU 144 Ca -0.28 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1pu0 h LEU 144 Cb 1.13 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.72 1pu0 h LEU 144 CO 0.75 0.79 0.39 0.00 0.09 0.00 0.00 178.44 180.46 1pu0 s ALA 145 N -2.77 -1.77 0.21 1.53 0.00 -1.14 -4.13 121.76 113.68 1pu0 s ALA 145 Ca -0.03 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 1pu0 s ALA 145 Cb 0.08 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.56 1pu0 s ALA 145 CO 0.81 -0.61 0.81 0.00 0.00 0.00 0.00 175.76 176.78 1pu0 s GLY 147 N -2.90 -0.56 0.23 0.00 0.00 -0.85 -1.12 107.32 102.12 1pu0 s GLY 147 Ca 0.11 0.70 -0.30 0.00 0.00 0.00 0.00 44.72 45.22 1pu0 s GLY 147 CO 0.03 0.24 0.97 0.14 0.00 0.00 0.00 173.10 174.48 1pu0 s VAL 148 N -3.47 4.02 -0.26 1.40 1.01 -1.26 -1.52 120.40 120.32 1pu0 s VAL 148 Ca 0.02 2.00 -0.26 0.00 0.00 0.00 0.00 61.98 63.74 1pu0 s VAL 148 Cb -0.01 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1pu0 s VAL 148 CO -0.11 0.46 0.89 -0.63 0.00 0.00 0.00 175.10 175.71 1pu0 s ILE 149 N -1.06 4.76 0.29 2.22 1.01 0.09 -4.50 121.20 124.00 1pu0 s ILE 149 Ca 0.42 1.61 0.10 0.00 0.00 0.00 0.00 60.65 62.78 1pu0 s ILE 149 Cb -0.27 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1pu0 s ILE 149 CO 0.33 -0.18 -0.04 -0.83 0.00 0.00 0.00 174.94 174.22 1pu0 s GLY 150 N 1.41 1.79 0.15 6.18 0.00 0.14 -0.04 107.32 116.95 1pu0 s GLY 150 Ca 0.38 -1.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.02 1pu0 s GLY 150 CO 0.09 -1.81 1.29 -0.42 0.00 0.00 0.00 173.10 172.25 1pu0 s ILE 151 N -2.41 3.44 0.28 0.90 1.01 -1.26 -0.33 121.20 122.83 1pu0 s ILE 151 Ca 0.32 1.12 0.10 0.00 0.00 0.00 0.00 60.65 62.19 1pu0 s ILE 151 Cb -0.05 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1pu0 s ILE 151 CO 0.19 0.13 -0.05 0.00 0.00 0.00 0.00 174.94 175.21 1pu0 s ALA 152 N 0.52 3.06 -2.00 9.38 0.00 -0.40 -4.80 121.76 127.53 1pu0 s ALA 152 Ca 0.59 -1.74 0.23 0.00 0.00 0.00 0.00 51.96 51.03 1pu0 s ALA 152 Cb -0.35 -0.61 1.37 0.00 0.00 0.00 0.00 23.12 23.54 1pu0 s ALA 152 CO 0.34 0.25 1.74 0.94 0.00 0.00 0.00 175.76 179.03