#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 3.25 0.04 0.00 2.01 -0.52 -4.84 115.64 115.58 1pu0 s THR 2 Ca 0.00 1.07 0.03 0.00 0.31 0.00 0.00 61.69 63.11 1pu0 s THR 2 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1pu0 s THR 2 CO 0.00 0.12 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.40 1pu0 s LYS 3 N -2.19 0.70 0.19 4.92 1.02 -1.26 -0.63 119.74 122.49 1pu0 s LYS 3 Ca 0.55 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 1pu0 s LYS 3 Cb -0.30 -0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1pu0 s LYS 3 CO 0.38 0.14 0.14 0.00 -0.92 0.00 0.00 175.35 175.09 1pu0 s ALA 4 N -0.99 1.08 0.08 5.17 0.00 0.02 -1.49 121.76 125.63 1pu0 s ALA 4 Ca -0.03 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.12 1pu0 s ALA 4 Cb -0.08 1.32 0.04 0.00 0.00 0.00 0.00 23.12 24.39 1pu0 s ALA 4 CO 0.01 -0.59 0.41 0.54 0.00 0.00 0.00 175.76 176.13 1pu0 s VAL 5 N -4.14 0.06 -0.13 0.00 0.11 -0.21 -0.90 120.40 115.19 1pu0 s VAL 5 Ca 0.37 -0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 1pu0 s VAL 5 Cb 0.07 -1.05 0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1pu0 s VAL 5 CO 0.11 -0.28 0.31 0.00 -3.33 0.00 0.00 175.10 171.91 1pu0 s VAL 7 N 1.25 4.63 -0.12 0.00 1.01 -1.26 -0.97 120.40 124.94 1pu0 s VAL 7 Ca -0.09 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 1pu0 s VAL 7 Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1pu0 s VAL 7 CO -0.10 0.27 0.59 -0.76 0.00 0.00 0.00 175.10 175.11 1pu0 s LEU 8 N 1.66 4.26 0.02 3.92 1.43 0.11 -4.01 118.68 126.07 1pu0 s LEU 8 Ca 0.06 0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1pu0 s LEU 8 Cb -0.16 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1pu0 s LEU 8 CO 0.06 -0.11 0.16 -0.54 0.23 0.00 0.00 176.35 176.15 1pu0 s LYS 9 N 1.01 0.59 0.00 1.70 1.02 -0.53 -2.11 119.74 121.42 1pu0 s LYS 9 Ca 0.31 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1pu0 s LYS 9 Cb -0.16 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1pu0 s LYS 9 CO 0.13 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1pu0 n GLY 10 N 1.03 3.89 0.10 -3.33 0.00 -1.24 -1.19 105.19 104.45 1pu0 n GLY 10 Ca -0.21 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1pu0 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pu0 h ASP 11 N 0.00 0.00 -0.25 1.61 3.45 -1.91 -3.47 116.42 115.85 1pu0 h ASP 11 Ca 0.00 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1pu0 h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1pu0 h ASP 11 CO 0.00 0.06 0.00 0.61 -1.57 0.00 0.00 179.24 178.34 1pu0 n GLY 12 N 1.27 3.70 0.15 2.75 0.00 -1.26 -5.02 105.19 106.78 1pu0 n GLY 12 Ca 0.03 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 0.81 -2.40 1.61 -0.04 -1.26 -4.90 135.00 128.82 1pu0 n PRO 13 Ca 0.00 -0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 62.74 1pu0 n PRO 13 Cb 0.00 -1.49 -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 -2.39 4.09 0.11 0.52 1.01 -1.26 -4.41 120.40 118.06 1pu0 s VAL 14 Ca 0.31 1.45 -0.21 0.00 0.00 0.00 0.00 61.98 63.53 1pu0 s VAL 14 Cb 0.20 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1pu0 s VAL 14 CO 0.46 0.03 0.51 0.00 0.00 0.00 0.00 175.10 176.09 1pu0 s GLN 15 N 1.97 1.13 0.00 2.72 -2.07 -0.79 -3.71 119.66 118.91 1pu0 s GLN 15 Ca 0.58 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.66 1pu0 s GLN 15 Cb -0.27 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1pu0 s GLN 15 CO 0.25 -0.45 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 1pu0 n GLY 16 N -0.05 -0.40 3.07 2.60 0.00 -0.90 -0.69 105.19 108.82 1pu0 n GLY 16 Ca -0.17 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 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 1.48 -0.09 -0.61 1.01 -1.01 0.08 121.20 120.06 1pu0 s ILE 17 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1pu0 s ILE 17 Cb 0.00 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1pu0 s ILE 17 CO 0.00 0.44 -0.23 -0.63 0.00 0.00 0.00 174.94 174.51 1pu0 s ILE 18 N 0.86 2.00 -0.01 2.92 -1.09 -0.14 -2.18 121.20 123.55 1pu0 s ILE 18 Ca -0.09 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 57.31 1pu0 s ILE 18 Cb -0.15 -1.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 1pu0 s ILE 18 CO 0.01 0.55 0.15 0.20 -1.23 0.00 0.00 174.94 174.61 1pu0 s ASN 19 N 0.32 6.17 -0.05 3.58 0.01 0.67 -0.83 114.94 124.81 1pu0 s ASN 19 Ca -0.17 0.29 0.03 0.00 -0.71 0.00 0.00 52.86 52.30 1pu0 s ASN 19 Cb -0.17 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1pu0 s ASN 19 CO 0.08 0.27 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.44 1pu0 s PHE 20 N -1.27 1.56 -0.04 2.20 0.08 -0.07 -1.16 117.98 119.27 1pu0 s PHE 20 Ca 0.25 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.82 1pu0 s PHE 20 Cb -0.12 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1pu0 s PHE 20 CO 0.17 -0.21 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.82 1pu0 s GLU 21 N 0.29 0.74 -0.30 0.44 2.02 -0.12 -0.80 118.70 120.97 1pu0 s GLU 21 Ca -0.08 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 1pu0 s GLU 21 Cb -0.13 -0.75 0.09 0.00 0.10 0.00 0.00 34.13 33.44 1pu0 s GLU 21 CO 0.03 -0.05 0.08 -1.14 0.02 0.00 0.00 175.26 174.20 1pu0 s GLN 22 N 0.76 0.80 0.21 1.61 0.74 0.20 -1.08 119.66 122.89 1pu0 s GLN 22 Ca -0.10 -1.06 -0.05 0.00 0.05 0.00 0.00 55.36 54.20 1pu0 s GLN 22 Cb -0.13 -2.10 0.18 0.00 1.10 0.00 0.00 33.01 32.07 1pu0 s GLN 22 CO 0.00 -0.94 1.65 1.57 -0.55 0.00 0.00 175.29 177.03 1pu0 h LYS 23 N 8.07 0.86 -5.70 1.67 2.10 -1.81 -1.37 116.57 120.38 1pu0 h LYS 23 Ca -0.13 -0.31 -0.66 0.00 -2.00 0.00 0.00 60.65 57.55 1pu0 h LYS 23 Cb 1.03 -0.06 -0.32 0.00 -0.90 0.00 0.00 32.23 31.98 1pu0 h LYS 23 CO 0.46 0.94 -0.87 -2.00 -2.00 0.00 0.00 179.45 175.97 1pu0 s GLU 24 N -4.78 2.51 0.00 0.07 -6.30 -1.26 -3.72 118.70 105.22 1pu0 s GLU 24 Ca -0.10 -0.84 0.00 0.00 -2.50 0.00 0.00 54.97 51.53 1pu0 s GLU 24 Cb 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 34.13 32.19 1pu0 s GLU 24 CO 0.84 0.30 0.00 0.45 0.02 0.00 0.00 175.26 176.87 1pu0 n SER 25 N 3.14 0.00 -1.15 -1.70 2.88 -1.26 0.19 113.62 115.71 1pu0 n SER 25 Ca -0.18 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.38 1pu0 n SER 25 Cb 0.52 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.11 1pu0 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pu0 n ASN 26 N -1.88 1.87 -3.15 -3.46 3.02 -1.26 -4.68 115.26 105.72 1pu0 n ASN 26 Ca 0.00 -3.23 -0.18 0.00 -0.03 0.00 0.00 54.58 51.14 1pu0 n ASN 26 Cb 0.00 -0.44 0.15 0.00 -0.61 0.00 0.00 39.78 38.88 1pu0 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pu0 n GLY 27 N -0.58 -2.37 3.78 7.41 0.00 0.51 -5.02 105.19 108.91 1pu0 n GLY 27 Ca 0.17 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 1pu0 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pu0 s PRO 28 N -4.57 2.83 -0.21 1.61 0.02 -1.26 -4.86 135.00 128.56 1pu0 s PRO 28 Ca 0.44 1.29 -0.07 0.00 0.02 0.00 0.00 61.00 62.68 1pu0 s PRO 28 Cb -0.04 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1pu0 s PRO 28 CO 0.33 -1.21 0.05 0.08 -0.33 0.00 0.00 177.00 175.92 1pu0 s VAL 29 N -2.50 4.45 -0.09 3.83 1.01 0.14 -4.39 120.40 122.85 1pu0 s VAL 29 Ca 0.65 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 1pu0 s VAL 29 Cb -0.19 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1pu0 s VAL 29 CO 0.44 0.41 0.80 -0.54 0.00 0.00 0.00 175.10 176.21 1pu0 s LYS 30 N 0.92 4.41 -0.18 2.72 1.02 -0.24 -0.94 119.74 127.44 1pu0 s LYS 30 Ca 0.03 1.03 0.01 0.00 0.02 0.00 0.00 55.97 57.06 1pu0 s LYS 30 Cb -0.14 -3.49 0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1pu0 s LYS 30 CO 0.03 -0.10 -0.20 0.08 -0.92 0.00 0.00 175.35 174.24 1pu0 s VAL 31 N 1.32 2.04 0.09 3.17 1.01 0.39 -0.94 120.40 127.47 1pu0 s VAL 31 Ca 0.41 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1pu0 s VAL 31 Cb -0.18 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1pu0 s VAL 31 CO 0.18 0.54 0.41 -1.66 0.00 0.00 0.00 175.10 174.57 1pu0 s TRP 32 N 1.28 -0.24 -4.91 5.22 1.48 -0.31 -0.68 118.94 120.78 1pu0 s TRP 32 Ca 0.05 0.06 0.00 0.00 -1.06 0.00 0.00 56.10 55.15 1pu0 s TRP 32 Cb -0.13 0.25 0.00 0.00 -1.16 0.00 0.00 33.47 32.43 1pu0 s TRP 32 CO -0.13 -0.65 0.00 0.41 -4.06 0.00 0.00 176.95 172.53 1pu0 n GLY 33 N 0.10 -0.93 2.96 3.67 0.00 -0.97 -0.24 105.19 109.78 1pu0 n GLY 33 Ca -0.17 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 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 1.08 -0.08 1.61 0.15 -0.93 -0.36 113.70 111.18 1pu0 s SER 34 Ca 0.00 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.54 1pu0 s SER 34 Cb 0.00 -0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1pu0 s SER 34 CO 0.00 0.02 -0.24 -0.63 1.20 0.00 0.00 173.24 173.59 1pu0 s ILE 35 N 0.45 2.01 0.42 6.45 1.01 -0.32 -2.39 121.20 128.83 1pu0 s ILE 35 Ca -0.07 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.64 1pu0 s ILE 35 Cb -0.11 -1.72 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1pu0 s ILE 35 CO 0.01 0.55 0.07 -1.59 0.00 0.00 0.00 174.94 173.97 1pu0 s LYS 36 N 0.10 2.06 -0.21 2.79 -2.85 0.13 0.16 119.74 121.92 1pu0 s LYS 36 Ca -0.11 -2.05 0.00 0.00 -1.00 0.00 0.00 55.97 52.81 1pu0 s LYS 36 Cb -0.16 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1pu0 s LYS 36 CO 0.06 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.82 1pu0 n GLY 37 N -1.08 0.54 3.91 0.59 0.00 -0.91 -1.88 105.19 106.36 1pu0 n GLY 37 Ca -0.05 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.46 4.00 0.52 0.99 1.43 -0.64 -4.32 118.68 120.21 1pu0 s LEU 38 Ca 0.00 0.74 -0.21 0.00 -1.03 0.00 0.00 54.13 53.63 1pu0 s LEU 38 Cb 0.00 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 1pu0 s LEU 38 CO 0.00 -0.25 1.20 0.42 0.23 0.00 0.00 176.35 177.95 1pu0 s THR 39 N -2.18 2.83 0.29 5.49 -4.23 -1.26 -4.10 115.64 112.49 1pu0 s THR 39 Ca 0.44 0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 61.24 1pu0 s THR 39 Cb -0.10 -3.27 -0.13 0.00 1.34 0.00 0.00 72.50 70.34 1pu0 s THR 39 CO 0.32 -0.05 1.38 1.21 -0.54 0.00 0.00 174.62 176.93 1pu0 n GLU 40 N -0.99 2.17 0.00 3.99 2.13 -1.26 -4.57 120.64 122.11 1pu0 n GLU 40 Ca 0.10 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1pu0 n GLU 40 Cb 0.48 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.79 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 1.52 -0.25 3.78 8.31 0.00 -0.07 -4.91 105.19 113.57 1pu0 n GLY 41 Ca 0.08 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 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 4.51 -0.03 0.99 1.43 -1.26 -1.15 118.68 123.16 1pu0 s LEU 42 Ca 0.00 1.73 -0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1pu0 s LEU 42 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1pu0 s LEU 42 CO 0.00 0.11 0.02 -1.00 0.23 0.00 0.00 176.35 175.71 1pu0 s HIS 43 N -1.32 0.20 0.63 0.29 3.76 -0.27 -3.02 115.29 115.57 1pu0 s HIS 43 Ca 0.41 0.08 -0.18 0.00 -0.15 0.00 0.00 55.06 55.22 1pu0 s HIS 43 Cb -0.22 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.04 1pu0 s HIS 43 CO 0.26 -0.15 1.21 0.41 -0.85 0.00 0.00 174.74 175.62 1pu0 n GLY 44 N 4.50 0.34 2.87 -2.22 0.00 -0.07 -1.15 105.19 109.46 1pu0 n GLY 44 Ca -0.20 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.41 -0.55 0.05 1.61 5.36 -0.37 -0.76 117.98 121.90 1pu0 s PHE 45 Ca 0.80 0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 57.35 1pu0 s PHE 45 Cb -0.39 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.14 1pu0 s PHE 45 CO 0.43 -0.62 0.08 -1.01 -1.46 0.00 0.00 175.22 172.63 1pu0 s HIS 46 N 2.44 0.27 -0.16 10.12 3.76 -0.92 -2.61 115.29 128.19 1pu0 s HIS 46 Ca 0.08 -0.64 -0.21 0.00 -0.15 0.00 0.00 55.06 54.14 1pu0 s HIS 46 Cb -0.15 -0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 1pu0 s HIS 46 CO -0.13 -0.38 0.64 0.08 -0.85 0.00 0.00 174.74 174.09 1pu0 s VAL 47 N -3.01 5.04 0.24 -0.90 1.01 -0.12 -1.31 120.40 121.35 1pu0 s VAL 47 Ca -0.02 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.27 1pu0 s VAL 47 Cb 0.01 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1pu0 s VAL 47 CO -0.06 0.16 0.30 -1.00 0.00 0.00 0.00 175.10 174.50 1pu0 s HIS 48 N 1.55 3.33 0.16 5.22 3.76 0.15 -0.75 115.29 128.70 1pu0 s HIS 48 Ca 0.31 -0.05 -0.14 0.00 -0.15 0.00 0.00 55.06 55.03 1pu0 s HIS 48 Cb -0.16 -1.51 0.04 0.00 1.11 0.00 0.00 32.58 32.06 1pu0 s HIS 48 CO 0.12 0.47 1.72 1.49 -0.85 0.00 0.00 174.74 177.69 1pu0 h GLU 49 N 1.28 0.75 -6.15 1.40 4.81 -0.60 -2.65 114.58 113.41 1pu0 h GLU 49 Ca -0.51 -0.12 -0.68 0.00 -0.13 0.00 0.00 59.36 57.92 1pu0 h GLU 49 Cb 1.23 -0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.30 1pu0 h GLU 49 CO 0.61 0.64 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.78 1pu0 s PHE 50 N -5.63 2.95 -0.25 0.92 0.08 -0.06 -4.70 117.98 111.28 1pu0 s PHE 50 Ca -0.13 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 1pu0 s PHE 50 Cb 0.12 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1pu0 s PHE 50 CO 0.77 0.35 2.74 0.41 -0.10 0.00 0.00 175.22 179.40 1pu0 n GLY 51 N 2.10 3.73 3.14 4.36 0.00 -1.07 -3.73 105.19 113.72 1pu0 n GLY 51 Ca -0.18 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 0.93 4.79 -0.14 1.61 3.68 -1.26 -4.96 116.67 121.32 1pu0 s ASP 52 Ca 0.48 -1.36 0.16 0.00 2.13 0.00 0.00 52.55 53.96 1pu0 s ASP 52 Cb 0.29 -1.67 0.59 0.00 -1.45 0.00 0.00 42.92 40.68 1pu0 s ASP 52 CO -0.09 -0.26 1.50 -3.20 0.13 0.00 0.00 175.17 173.25 1pu0 n ASN 53 N 4.56 4.24 0.26 -0.34 4.05 -1.26 -3.00 115.26 123.77 1pu0 n ASN 53 Ca -0.12 -2.70 0.10 0.00 0.45 0.00 0.00 54.58 52.30 1pu0 n ASN 53 Cb 0.43 -0.52 0.69 0.00 1.23 0.00 0.00 39.78 41.61 1pu0 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1pu0 h THR 54 N 2.73 0.85 -1.19 -0.44 1.35 -1.93 -2.05 112.91 112.24 1pu0 h THR 54 Ca 0.00 -0.25 -0.56 0.00 -0.55 0.00 0.00 66.41 65.05 1pu0 h THR 54 Cb 1.42 1.14 -0.42 0.00 -1.73 0.00 0.00 68.15 68.56 1pu0 h THR 54 CO 0.23 0.07 -0.79 0.00 -0.25 0.00 0.00 175.52 174.78 1pu0 n ALA 55 N -2.43 4.95 -1.00 6.62 0.00 -1.26 -5.06 120.51 122.33 1pu0 n ALA 55 Ca -0.03 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1pu0 n ALA 55 Cb 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.56 1.25 0.05 0.00 0.00 -0.77 -3.29 105.19 101.87 1pu0 n GLY 56 Ca 0.39 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 2.02 -1.89 -2.48 112.91 111.75 1pu0 h THR 58 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1pu0 h THR 58 Cb 0.53 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1pu0 h THR 58 CO 0.00 0.27 0.00 -1.54 0.37 0.00 0.00 175.52 174.62 1pu0 n SER 59 N -4.27 0.00 0.08 4.18 3.41 -1.15 -3.07 113.62 112.80 1pu0 n SER 59 Ca 0.01 -0.93 0.09 0.00 -0.26 0.00 0.00 58.87 57.78 1pu0 n SER 59 Cb 0.26 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.61 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 -1.00 1.53 -0.08 7.33 0.00 -0.93 -4.49 120.51 122.87 1pu0 n ALA 60 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1pu0 n ALA 60 Cb 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.28 -1.77 3.44 0.00 0.00 -1.17 -0.88 105.19 104.53 1pu0 n GLY 61 Ca 0.02 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.11 -0.96 -1.77 1.61 -0.04 -1.26 -4.61 135.00 127.85 1pu0 n PRO 62 Ca 0.00 -1.94 -0.40 0.00 -0.04 0.00 0.00 63.50 61.12 1pu0 n PRO 62 Cb 0.00 -1.11 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1pu0 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1pu0 s HIS 63 N -3.44 2.45 0.03 0.54 3.76 -1.26 -0.37 115.29 117.00 1pu0 s HIS 63 Ca 0.66 1.23 -0.31 0.00 -0.15 0.00 0.00 55.06 56.49 1pu0 s HIS 63 Cb -0.02 -3.97 -0.10 0.00 1.11 0.00 0.00 32.58 29.61 1pu0 s HIS 63 CO 0.46 -3.04 1.95 0.34 -0.85 0.00 0.00 174.74 173.60 1pu0 n PHE 64 N -0.09 2.50 -3.04 1.40 -0.00 0.07 -4.46 117.46 113.83 1pu0 n PHE 64 Ca 0.04 -0.31 -0.16 0.00 -0.00 0.00 0.00 57.45 57.03 1pu0 n PHE 64 Cb 0.41 -2.78 0.00 0.00 -0.00 0.00 0.00 39.48 37.11 1pu0 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1pu0 n ASN 65 N 7.21 -0.27 0.27 -2.13 5.15 -1.26 -1.56 115.26 122.66 1pu0 n ASN 65 Ca 0.20 -3.19 0.14 0.00 -0.60 0.00 0.00 54.58 51.13 1pu0 n ASN 65 Cb 0.39 0.19 0.74 0.00 -0.53 0.00 0.00 39.78 40.57 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 3.14 0.00 -0.48 1.20 0.13 -1.93 -1.92 132.00 132.14 1pu0 h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1pu0 h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1pu0 h PRO 66 CO 0.39 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.54 1pu0 n LEU 67 N -3.53 2.57 -3.95 1.56 4.77 -1.26 -4.95 117.00 112.21 1pu0 n LEU 67 Ca -0.02 -1.29 -0.25 0.00 -0.03 0.00 0.00 56.01 54.42 1pu0 n LEU 67 Cb 0.24 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1pu0 n LEU 67 CO 0.29 0.61 -0.24 -1.20 -1.33 0.00 0.00 177.39 175.53 1pu0 n SER 68 N 0.84 -0.37 -5.00 -1.43 7.64 -0.72 -4.99 113.62 109.59 1pu0 n SER 68 Ca 0.16 -1.01 -0.20 0.00 1.01 0.00 0.00 58.87 58.83 1pu0 n SER 68 Cb 0.42 -3.04 0.03 0.00 -1.01 0.00 0.00 64.21 60.61 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 -6.55 2.45 0.55 1.43 0.52 -1.26 -5.12 118.95 110.97 1pu0 s ARG 69 Ca 0.01 -1.58 -0.09 0.00 -0.52 0.00 0.00 55.73 53.55 1pu0 s ARG 69 Cb -0.00 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1pu0 s ARG 69 CO 0.89 -0.62 0.92 0.15 0.02 0.00 0.00 175.30 176.66 1pu0 s LYS 70 N -4.49 3.62 0.46 3.54 1.02 -1.26 -4.73 119.74 117.90 1pu0 s LYS 70 Ca 0.55 0.55 -0.25 0.00 0.02 0.00 0.00 55.97 56.85 1pu0 s LYS 70 Cb -0.06 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 1pu0 s LYS 70 CO 0.34 -0.38 1.38 -1.58 -0.92 0.00 0.00 175.35 174.19 1pu0 s HIS 71 N -2.93 2.51 0.09 3.18 5.65 0.17 -3.24 115.29 120.72 1pu0 s HIS 71 Ca 0.52 1.32 -0.02 0.00 0.25 0.00 0.00 55.06 57.14 1pu0 s HIS 71 Cb -0.11 -3.83 0.01 0.00 -1.18 0.00 0.00 32.58 27.48 1pu0 s HIS 71 CO 0.48 -2.70 0.15 0.41 -0.65 0.00 0.00 174.74 172.43 1pu0 n GLY 72 N 0.62 2.28 3.92 1.59 0.00 -1.26 -4.49 105.19 107.85 1pu0 n GLY 72 Ca 0.06 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.49 1.51 0.55 -0.02 0.00 -1.20 -4.68 107.32 101.98 1pu0 s GLY 73 Ca 0.05 -0.72 0.28 0.00 0.00 0.00 0.00 44.72 44.33 1pu0 s GLY 73 CO 0.04 -0.55 2.15 -0.56 0.00 0.00 0.00 173.10 174.18 1pu0 h PRO 74 N 0.25 0.00 0.00 2.90 0.13 -1.86 -1.91 132.00 131.51 1pu0 h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1pu0 h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pu0 h PRO 74 CO 0.60 0.07 0.00 1.63 -0.23 0.00 0.00 178.00 180.07 1pu0 n LYS 75 N -3.75 0.00 -2.92 0.86 5.02 -1.26 -4.87 118.16 111.24 1pu0 n LYS 75 Ca -0.02 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1pu0 n LYS 75 Cb 0.17 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 1pu0 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pu0 s ASP 76 N -3.02 6.99 0.11 4.39 -0.00 -0.72 -4.97 116.67 119.45 1pu0 s ASP 76 Ca 0.13 1.59 -0.11 0.00 -0.00 0.00 0.00 52.55 54.16 1pu0 s ASP 76 Cb 0.18 -2.49 -0.13 0.00 -0.00 0.00 0.00 42.92 40.47 1pu0 s ASP 76 CO 0.50 -0.22 1.32 -0.08 -0.00 0.00 0.00 175.17 176.69 1pu0 h GLU 77 N 2.40 0.76 -5.59 8.23 4.81 -1.89 -3.39 114.58 119.91 1pu0 h GLU 77 Ca -0.48 -0.62 -0.62 0.00 -0.13 0.00 0.00 59.36 57.51 1pu0 h GLU 77 Cb 1.18 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.56 1pu0 h GLU 77 CO 0.63 1.23 0.73 -2.00 -0.73 0.00 0.00 179.01 178.87 1pu0 s GLU 78 N -3.73 3.21 0.18 1.92 2.56 -1.26 -4.94 118.70 116.65 1pu0 s GLU 78 Ca -0.10 -0.87 -0.15 0.00 0.00 0.00 0.00 54.97 53.85 1pu0 s GLU 78 Cb 0.09 -4.38 0.02 0.00 2.00 0.00 0.00 34.13 31.86 1pu0 s GLU 78 CO 0.90 -1.89 0.46 -0.98 -0.56 0.00 0.00 175.26 173.18 1pu0 s ARG 79 N 4.24 1.31 0.50 4.30 1.70 -1.21 -3.98 118.95 125.80 1pu0 s ARG 79 Ca 0.27 -0.93 -0.20 0.00 -0.47 0.00 0.00 55.73 54.40 1pu0 s ARG 79 Cb -0.13 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1pu0 s ARG 79 CO 0.07 -0.54 1.05 -1.01 -1.08 0.00 0.00 175.30 173.79 1pu0 s HIS 80 N -3.89 2.97 0.30 5.89 3.76 -1.20 -4.65 115.29 118.47 1pu0 s HIS 80 Ca 0.11 1.57 0.03 0.00 -0.15 0.00 0.00 55.06 56.62 1pu0 s HIS 80 Cb 0.00 -3.08 0.62 0.00 1.11 0.00 0.00 32.58 31.23 1pu0 s HIS 80 CO -0.03 -0.91 1.85 0.28 -0.85 0.00 0.00 174.74 175.08 1pu0 h VAL 81 N 1.45 0.90 -0.09 -0.90 2.07 -1.84 -2.19 116.25 115.65 1pu0 h VAL 81 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1pu0 h VAL 81 Cb 1.22 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1pu0 h VAL 81 CO 0.59 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1pu0 n GLY 82 N -1.37 -0.50 3.55 2.17 0.00 -0.60 -4.34 105.19 104.10 1pu0 n GLY 82 Ca 0.18 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.26 5.99 0.00 1.61 1.01 -0.83 -0.94 116.67 122.26 1pu0 s ASP 83 Ca 0.17 -0.42 0.23 0.00 0.71 0.00 0.00 52.55 53.25 1pu0 s ASP 83 Cb 0.09 -2.56 0.49 0.00 1.01 0.00 0.00 42.92 41.95 1pu0 s ASP 83 CO 0.13 -1.94 1.44 0.18 0.21 0.00 0.00 175.17 175.20 1pu0 n LEU 84 N 10.13 3.63 0.00 1.23 4.77 -1.07 -3.67 117.00 132.01 1pu0 n LEU 84 Ca 0.11 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1pu0 n LEU 84 Cb 0.50 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1pu0 n LEU 84 CO 0.70 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 1pu0 n GLY 85 N 1.56 0.61 3.61 -0.72 0.00 -1.20 -4.77 105.19 104.28 1pu0 n GLY 85 Ca 0.21 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 4.46 0.15 1.61 0.01 -1.26 -1.24 114.94 114.66 1pu0 s ASN 86 Ca 0.00 -0.54 0.09 0.00 -0.71 0.00 0.00 52.86 51.70 1pu0 s ASN 86 Cb 0.00 -0.83 -0.04 0.00 0.41 0.00 0.00 41.25 40.79 1pu0 s ASN 86 CO 0.00 0.08 -0.14 0.68 -1.51 0.00 0.00 177.10 176.21 1pu0 s VAL 87 N -1.83 3.02 -0.18 1.60 -7.23 -0.30 -4.92 120.40 110.56 1pu0 s VAL 87 Ca 0.27 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1pu0 s VAL 87 Cb -0.08 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1pu0 s VAL 87 CO 0.17 0.00 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.97 1pu0 s THR 88 N -1.42 3.06 0.00 5.32 2.01 -1.26 -1.11 115.64 122.25 1pu0 s THR 88 Ca 0.21 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.44 1pu0 s THR 88 Cb -0.10 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 1pu0 s THR 88 CO 0.13 0.48 0.42 0.00 -0.69 0.00 0.00 174.62 174.96 1pu0 s ALA 89 N 1.01 3.68 0.87 7.40 0.00 -0.30 -4.29 121.76 130.13 1pu0 s ALA 89 Ca -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 1pu0 s ALA 89 Cb -0.15 -2.42 0.10 0.00 0.00 0.00 0.00 23.12 20.66 1pu0 s ALA 89 CO -0.01 0.46 0.61 -0.40 0.00 0.00 0.00 175.76 176.42 1pu0 n ASP 90 N 1.86 0.23 0.30 0.00 3.85 0.11 -0.90 116.55 122.01 1pu0 n ASP 90 Ca -0.13 -1.33 0.20 0.00 -0.71 0.00 0.00 54.79 52.81 1pu0 n ASP 90 Cb 0.52 -0.45 0.98 0.00 -1.35 0.00 0.00 41.12 40.83 1pu0 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1pu0 h LYS 91 N 0.00 0.00 -0.55 0.11 2.10 -1.97 0.73 116.57 116.99 1pu0 h LYS 91 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1pu0 h LYS 91 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1pu0 h LYS 91 CO 0.16 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.36 1pu0 n ASP 92 N -2.99 2.99 -0.12 7.07 10.43 -1.26 -4.87 116.55 127.80 1pu0 n ASP 92 Ca -0.02 -2.00 -0.01 0.00 2.57 0.00 0.00 54.79 55.34 1pu0 n ASP 92 Cb 0.15 -0.37 -0.00 0.00 1.84 0.00 0.00 41.12 42.74 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 1.39 0.42 3.48 0.44 0.00 0.25 -4.74 105.19 106.43 1pu0 n GLY 93 Ca 0.19 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.06 3.92 -0.33 1.61 1.01 -1.25 -1.62 120.40 121.67 1pu0 s VAL 94 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1pu0 s VAL 94 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1pu0 s VAL 94 CO 0.00 0.47 0.14 0.00 0.00 0.00 0.00 175.10 175.71 1pu0 s ALA 95 N 0.58 3.18 -1.01 5.51 0.00 0.12 -0.71 121.76 129.43 1pu0 s ALA 95 Ca -0.02 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1pu0 s ALA 95 Cb -0.14 -2.37 0.14 0.00 0.00 0.00 0.00 23.12 20.75 1pu0 s ALA 95 CO 0.02 -1.16 1.22 -0.51 0.00 0.00 0.00 175.76 175.34 1pu0 s ASP 96 N 1.52 6.76 0.25 0.00 -0.00 -1.26 -1.17 116.67 122.76 1pu0 s ASP 96 Ca 0.02 -2.31 -0.30 0.00 -0.00 0.00 0.00 52.55 49.96 1pu0 s ASP 96 Cb -0.18 -2.40 -0.09 0.00 -0.00 0.00 0.00 42.92 40.24 1pu0 s ASP 96 CO 0.05 -0.98 1.28 -0.69 -0.00 0.00 0.00 175.17 174.83 1pu0 s VAL 97 N 2.40 3.11 -0.30 -1.27 1.01 0.51 -4.88 120.40 120.99 1pu0 s VAL 97 Ca 0.36 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.34 1pu0 s VAL 97 Cb -0.04 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.86 1pu0 s VAL 97 CO -0.07 0.18 0.37 -0.55 0.00 0.00 0.00 175.10 175.04 1pu0 s SER 98 N -0.06 0.86 0.09 3.32 0.15 -1.25 -2.30 113.70 114.51 1pu0 s SER 98 Ca 0.53 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.64 1pu0 s SER 98 Cb -0.37 0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1pu0 s SER 98 CO 0.43 -0.36 -0.18 -0.63 1.20 0.00 0.00 173.24 173.70 1pu0 s ILE 99 N 2.39 1.49 -0.08 6.45 1.01 0.15 -5.00 121.20 127.61 1pu0 s ILE 99 Ca 0.10 -1.46 0.03 0.00 0.00 0.00 0.00 60.65 59.31 1pu0 s ILE 99 Cb -0.13 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.97 1pu0 s ILE 99 CO -0.29 -0.13 -0.16 -0.70 0.00 0.00 0.00 174.94 173.67 1pu0 s GLU 100 N -1.87 2.13 -0.00 2.79 2.12 -1.26 -0.46 118.70 122.14 1pu0 s GLU 100 Ca 0.03 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.84 1pu0 s GLU 100 Cb -0.10 -1.72 -0.01 0.00 0.26 0.00 0.00 34.13 32.56 1pu0 s GLU 100 CO 0.04 0.04 -0.08 0.34 -0.54 0.00 0.00 175.26 175.05 1pu0 s ASP 101 N 0.67 0.97 -0.06 -1.70 -1.08 -0.12 -4.96 116.67 110.39 1pu0 s ASP 101 Ca -0.14 -0.19 0.13 0.00 -0.52 0.00 0.00 52.55 51.83 1pu0 s ASP 101 Cb -0.16 -0.09 0.38 0.00 -1.46 0.00 0.00 42.92 41.59 1pu0 s ASP 101 CO 0.04 0.07 1.31 -1.54 0.52 0.00 0.00 175.17 175.57 1pu0 n SER 102 N 2.73 3.25 -0.12 -0.34 3.41 -1.26 -0.69 113.62 120.60 1pu0 n SER 102 Ca -0.14 -2.32 -0.19 0.00 -0.26 0.00 0.00 58.87 55.96 1pu0 n SER 102 Cb 0.57 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.21 1.39 -1.12 -3.33 0.31 -1.26 -4.89 118.33 109.62 1pu0 n VAL 103 Ca 0.15 -0.49 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 1pu0 n VAL 103 Cb 0.58 -1.46 0.11 0.00 -0.91 0.00 0.00 33.84 32.16 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 -2.48 2.95 0.13 2.52 -4.36 -1.26 -4.86 121.20 113.84 1pu0 s ILE 104 Ca -0.33 0.32 -0.09 0.00 -0.26 0.00 0.00 60.65 60.29 1pu0 s ILE 104 Cb 0.09 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 1pu0 s ILE 104 CO 0.53 -0.39 0.25 -0.55 0.24 0.00 0.00 174.94 175.02 1pu0 s SER 105 N -3.13 0.07 -0.09 4.36 0.15 -0.93 -4.63 113.70 109.50 1pu0 s SER 105 Ca 0.63 -0.79 0.19 0.00 0.70 0.00 0.00 55.95 56.69 1pu0 s SER 105 Cb -0.19 0.40 0.69 0.00 -1.71 0.00 0.00 66.02 65.21 1pu0 s SER 105 CO 0.56 -0.83 1.60 0.18 1.20 0.00 0.00 173.24 175.95 1pu0 n LEU 106 N -0.16 4.53 -3.67 3.45 4.77 -1.26 -1.64 117.00 123.03 1pu0 n LEU 106 Ca -0.10 -2.35 -0.10 0.00 -0.03 0.00 0.00 56.01 53.43 1pu0 n LEU 106 Cb 0.63 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1pu0 n LEU 106 CO 0.24 0.85 0.36 -0.94 -1.33 0.00 0.00 177.39 176.57 1pu0 s SER 107 N -0.96 -0.36 0.23 -1.43 1.04 -1.26 -4.85 113.70 106.12 1pu0 s SER 107 Ca 0.50 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1pu0 s SER 107 Cb 0.31 0.62 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1pu0 s SER 107 CO 0.26 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1pu0 n GLY 108 N -0.38 -0.96 0.25 7.32 0.00 -1.26 -3.57 105.19 106.59 1pu0 n GLY 108 Ca -0.11 -1.20 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 1pu0 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pu0 h ASP 109 N 0.00 0.39 -0.52 1.61 3.32 -2.01 -2.16 116.42 117.05 1pu0 h ASP 109 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1pu0 h ASP 109 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1pu0 h ASP 109 CO 0.00 0.55 0.00 1.41 -1.72 0.00 0.00 179.24 179.48 1pu0 n HIS 110 N -4.23 1.55 -1.83 4.55 8.25 -1.26 -4.96 115.22 117.29 1pu0 n HIS 110 Ca 0.00 -0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 1pu0 n HIS 110 Cb 0.30 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 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 2.79 0.00 -2.01 0.00 -5.35 -0.65 -4.92 119.36 109.21 1pu0 n ILE 112 Ca 0.10 -0.46 -0.41 0.00 -0.27 0.00 0.00 62.75 61.71 1pu0 n ILE 112 Cb 0.38 1.29 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 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 -1.43 2.65 0.00 7.28 1.01 -1.26 -1.65 121.20 127.80 1pu0 s ILE 113 Ca 0.17 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.36 1pu0 s ILE 113 Cb 0.13 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1pu0 s ILE 113 CO 0.24 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1pu0 n GLY 114 N 2.23 0.97 1.84 6.18 0.00 0.49 -4.99 105.19 111.91 1pu0 n GLY 114 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 1.03 -4.93 1.61 1.74 -0.66 -2.61 116.66 110.84 1pu0 n ARG 115 Ca 0.00 -1.62 -0.32 0.00 -0.77 0.00 0.00 57.85 55.14 1pu0 n ARG 115 Cb 0.00 0.11 -0.16 0.00 -1.02 0.00 0.00 32.46 31.39 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 -1.17 2.42 -0.02 0.55 2.01 -1.00 -0.36 115.64 118.08 1pu0 s THR 116 Ca 0.18 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 1pu0 s THR 116 Cb -0.01 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1pu0 s THR 116 CO 0.12 0.54 0.60 -0.22 -0.69 0.00 0.00 174.62 174.97 1pu0 s LEU 117 N 0.47 4.40 -0.03 4.42 2.96 -0.39 0.31 118.68 130.81 1pu0 s LEU 117 Ca -0.13 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1pu0 s LEU 117 Cb -0.17 -2.93 -0.00 0.00 0.50 0.00 0.00 46.19 43.59 1pu0 s LEU 117 CO 0.06 0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.32 1pu0 s VAL 118 N -0.02 1.21 -0.07 1.68 1.01 -0.43 -1.60 120.40 122.19 1pu0 s VAL 118 Ca 0.32 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1pu0 s VAL 118 Cb -0.18 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1pu0 s VAL 118 CO 0.17 0.35 -0.14 0.54 0.00 0.00 0.00 175.10 176.02 1pu0 s VAL 119 N -0.06 3.03 0.32 2.92 0.11 -0.66 -2.16 120.40 123.91 1pu0 s VAL 119 Ca -0.00 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.41 1pu0 s VAL 119 Cb -0.09 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 1pu0 s VAL 119 CO 0.01 0.57 0.20 -1.00 -3.33 0.00 0.00 175.10 171.55 1pu0 s HIS 120 N -0.40 2.82 0.21 1.54 3.76 0.06 -1.01 115.29 122.27 1pu0 s HIS 120 Ca 0.04 -0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 54.54 1pu0 s HIS 120 Cb -0.12 -1.65 0.19 0.00 1.11 0.00 0.00 32.58 32.10 1pu0 s HIS 120 CO 0.02 0.31 1.85 1.49 -0.85 0.00 0.00 174.74 177.57 1pu0 h GLU 121 N 1.44 0.86 -5.16 1.40 4.81 -0.63 -3.38 114.58 113.92 1pu0 h GLU 121 Ca -0.45 -0.05 -0.57 0.00 -0.13 0.00 0.00 59.36 58.16 1pu0 h GLU 121 Cb 1.25 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 1pu0 h GLU 121 CO 0.61 0.57 -0.54 0.15 -0.73 0.00 0.00 179.01 179.06 1pu0 s LYS 122 N -6.12 1.92 0.48 1.92 1.02 -0.40 -4.91 119.74 113.65 1pu0 s LYS 122 Ca -0.13 -2.16 -0.23 0.00 0.02 0.00 0.00 55.97 53.47 1pu0 s LYS 122 Cb 0.15 -0.95 -0.07 0.00 -0.52 0.00 0.00 37.83 36.45 1pu0 s LYS 122 CO 0.77 -0.35 1.24 0.00 -0.92 0.00 0.00 175.35 176.10 1pu0 s ALA 123 N -3.12 2.97 -0.08 5.17 0.00 -1.17 -0.89 121.76 124.64 1pu0 s ALA 123 Ca 0.24 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 1pu0 s ALA 123 Cb 0.04 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1pu0 s ALA 123 CO 0.13 -0.90 0.96 0.34 0.00 0.00 0.00 175.76 176.28 1pu0 s ASP 124 N -1.14 7.22 0.00 0.00 3.68 -1.26 -3.85 116.67 121.33 1pu0 s ASP 124 Ca 0.65 1.50 0.13 0.00 2.13 0.00 0.00 52.55 56.96 1pu0 s ASP 124 Cb -0.34 -2.54 0.53 0.00 -1.45 0.00 0.00 42.92 39.12 1pu0 s ASP 124 CO 0.41 -0.37 1.38 -0.90 0.13 0.00 0.00 175.17 175.82 1pu0 n ASP 125 N 4.66 1.16 -2.18 -0.34 3.85 0.38 -4.88 116.55 119.21 1pu0 n ASP 125 Ca 0.07 -1.81 -0.21 0.00 -0.71 0.00 0.00 54.79 52.13 1pu0 n ASP 125 Cb 0.49 -0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 40.12 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 0.06 -1.81 0.00 -2.12 4.77 -1.26 -1.63 117.00 115.01 1pu0 n LEU 126 Ca 0.11 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1pu0 n LEU 126 Cb 0.21 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1pu0 n LEU 126 CO 0.09 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 1pu0 n GLY 127 N -0.83 0.59 1.37 -0.72 0.00 -1.25 -3.26 105.19 101.09 1pu0 n GLY 127 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 3.85 0.00 1.61 5.02 -0.65 -4.54 118.16 120.64 1pu0 n LYS 128 Ca 0.00 -2.97 0.13 0.00 -2.02 0.00 0.00 58.31 53.45 1pu0 n LYS 128 Cb 0.00 -2.02 0.40 0.00 -0.02 0.00 0.00 35.03 33.39 1pu0 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pu0 n GLY 129 N 0.12 -0.50 2.40 0.72 0.00 -1.26 -4.96 105.19 101.71 1pu0 n GLY 129 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 1.31 0.79 3.47 -0.02 0.00 -1.26 -4.96 105.19 104.53 1pu0 n GLY 130 Ca 0.13 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.51 2.54 0.38 1.61 2.20 -1.26 -5.04 114.94 112.86 1pu0 s ASN 131 Ca 0.00 -1.40 0.09 0.00 -0.94 0.00 0.00 52.86 50.61 1pu0 s ASN 131 Cb 0.00 -0.06 0.77 0.00 -2.00 0.00 0.00 41.25 39.96 1pu0 s ASN 131 CO 0.00 -0.62 1.92 -0.08 -2.94 0.00 0.00 177.10 175.38 1pu0 h GLU 132 N 2.06 0.30 -0.60 3.55 4.81 -1.99 -2.42 114.58 120.28 1pu0 h GLU 132 Ca -0.41 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1pu0 h GLU 132 Cb 1.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1pu0 h GLU 132 CO 0.70 0.39 0.25 1.49 -0.73 0.00 0.00 179.01 181.11 1pu0 h GLU 133 N 0.29 0.87 -0.92 1.92 4.57 -1.99 -2.56 114.58 116.76 1pu0 h GLU 133 Ca 0.06 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1pu0 h GLU 133 Cb 0.33 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 1pu0 h GLU 133 CO 0.02 0.70 0.60 1.03 -1.18 0.00 0.00 179.01 180.18 1pu0 h SER 134 N 0.86 0.96 -0.41 1.04 0.87 -1.77 -0.06 113.55 115.04 1pu0 h SER 134 Ca 0.21 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1pu0 h SER 134 Cb 0.15 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1pu0 h SER 134 CO -0.02 0.63 0.00 0.35 -0.53 0.00 0.00 176.83 177.26 1pu0 n THR 135 N -4.47 1.25 -0.05 2.23 -2.24 -0.98 -1.95 114.28 108.07 1pu0 n THR 135 Ca 0.13 -0.77 -0.12 0.00 -2.27 0.00 0.00 64.05 61.03 1pu0 n THR 135 Cb 0.16 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1pu0 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pu0 n LYS 136 N 0.60 0.25 0.00 -0.78 5.02 -0.62 -0.66 118.16 121.97 1pu0 n LYS 136 Ca 0.17 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1pu0 n LYS 136 Cb 0.65 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1pu0 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pu0 n THR 137 N -3.58 0.00 -1.04 -0.18 -2.24 -0.13 -4.66 114.28 102.44 1pu0 n THR 137 Ca -0.21 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 1pu0 n THR 137 Cb 0.60 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 70.10 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 0.19 0.37 3.34 3.38 0.00 -0.82 -3.33 105.19 108.32 1pu0 n GLY 138 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.38 -5.96 -0.26 1.61 3.02 -1.26 -0.47 115.26 111.58 1pu0 n ASN 139 Ca -0.01 -0.43 0.14 0.00 -0.03 0.00 0.00 54.58 54.24 1pu0 n ASN 139 Cb 0.25 -4.76 0.66 0.00 -0.61 0.00 0.00 39.78 35.33 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 -4.20 2.61 -0.43 5.41 0.00 -1.21 -4.74 120.51 117.95 1pu0 n ALA 140 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1pu0 n ALA 140 Cb 0.58 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.06 -0.26 3.72 0.00 0.00 -1.26 -1.27 105.19 107.18 1pu0 n GLY 141 Ca 0.20 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 3.36 -0.51 1.61 1.04 -1.26 -4.62 113.70 109.32 1pu0 s SER 142 Ca 0.00 1.32 -0.21 0.00 0.48 0.00 0.00 55.95 57.54 1pu0 s SER 142 Cb 0.00 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.17 1pu0 s SER 142 CO 0.00 -2.69 0.73 -0.13 0.98 0.00 0.00 173.24 172.13 1pu0 s ARG 143 N -5.01 3.22 0.03 4.02 0.52 -1.26 -0.28 118.95 120.19 1pu0 s ARG 143 Ca 0.64 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1pu0 s ARG 143 Cb -0.17 -4.06 -0.25 0.00 0.52 0.00 0.00 34.95 30.99 1pu0 s ARG 143 CO 0.56 -1.27 0.94 -0.07 0.02 0.00 0.00 175.30 175.49 1pu0 h LEU 144 N 10.10 0.23 -7.22 2.53 3.38 -1.37 -3.47 115.31 119.48 1pu0 h LEU 144 Ca -0.27 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1pu0 h LEU 144 Cb 1.09 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 1pu0 h LEU 144 CO 0.99 1.26 0.04 0.00 0.09 0.00 0.00 178.44 180.81 1pu0 s ALA 145 N -2.64 -1.27 0.21 1.53 0.00 -1.17 -3.95 121.76 114.47 1pu0 s ALA 145 Ca -0.06 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 1pu0 s ALA 145 Cb 0.08 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.77 1pu0 s ALA 145 CO 0.84 -0.58 0.63 0.00 0.00 0.00 0.00 175.76 176.65 1pu0 s GLY 147 N -2.83 -0.57 0.19 0.00 0.00 -0.63 -1.45 107.32 102.03 1pu0 s GLY 147 Ca 0.06 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 45.41 1pu0 s GLY 147 CO -0.04 0.59 0.98 0.14 0.00 0.00 0.00 173.10 174.77 1pu0 s VAL 148 N -2.22 4.17 -0.24 1.40 1.01 -1.26 -1.26 120.40 122.00 1pu0 s VAL 148 Ca -0.06 1.99 -0.28 0.00 0.00 0.00 0.00 61.98 63.63 1pu0 s VAL 148 Cb -0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1pu0 s VAL 148 CO 0.01 0.40 1.00 -0.63 0.00 0.00 0.00 175.10 175.87 1pu0 s ILE 149 N -0.64 4.70 0.28 2.22 1.01 0.51 -4.53 121.20 124.77 1pu0 s ILE 149 Ca 0.44 1.93 0.10 0.00 0.00 0.00 0.00 60.65 63.12 1pu0 s ILE 149 Cb -0.26 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1pu0 s ILE 149 CO 0.32 -0.17 -0.06 -0.83 0.00 0.00 0.00 174.94 174.20 1pu0 s GLY 150 N 1.25 1.80 0.23 6.18 0.00 0.01 -0.38 107.32 116.41 1pu0 s GLY 150 Ca 0.42 -1.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 1pu0 s GLY 150 CO 0.07 -1.83 1.30 -0.42 0.00 0.00 0.00 173.10 172.22 1pu0 s ILE 151 N -2.42 3.12 0.40 0.90 1.01 -1.26 -1.05 121.20 121.90 1pu0 s ILE 151 Ca 0.32 0.97 0.03 0.00 0.00 0.00 0.00 60.65 61.97 1pu0 s ILE 151 Cb -0.05 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1pu0 s ILE 151 CO 0.18 0.17 0.09 0.00 0.00 0.00 0.00 174.94 175.39 1pu0 s ALA 152 N -0.22 2.91 0.00 9.38 0.00 -0.55 -4.78 121.76 128.49 1pu0 s ALA 152 Ca 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1pu0 s ALA 152 Cb -0.37 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1pu0 s ALA 152 CO 0.41 -0.29 0.32 0.00 0.00 0.00 0.00 175.76 176.20