#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu0 n THR 2 N 0.00 0.00 -4.33 0.00 -2.24 -1.26 -4.78 114.28 101.67 1pu0 n THR 2 Ca 0.00 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 1pu0 n THR 2 Cb 0.00 1.42 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 1pu0 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pu0 s LYS 3 N -0.08 0.93 0.18 -0.78 1.02 -1.26 -0.52 119.74 119.23 1pu0 s LYS 3 Ca 0.00 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1pu0 s LYS 3 Cb 0.00 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.33 1pu0 s LYS 3 CO 0.00 0.23 0.16 0.00 -0.92 0.00 0.00 175.35 174.82 1pu0 s ALA 4 N -0.92 0.80 0.01 5.17 0.00 -0.28 -0.80 121.76 125.73 1pu0 s ALA 4 Ca 0.01 -1.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 1pu0 s ALA 4 Cb -0.08 1.14 0.04 0.00 0.00 0.00 0.00 23.12 24.22 1pu0 s ALA 4 CO 0.01 -0.59 0.44 0.54 0.00 0.00 0.00 175.76 176.16 1pu0 s VAL 5 N -4.09 0.04 -0.10 0.00 0.11 -0.28 -1.18 120.40 114.90 1pu0 s VAL 5 Ca 0.30 -0.36 -0.04 0.00 -2.93 0.00 0.00 61.98 58.95 1pu0 s VAL 5 Cb 0.06 -0.86 0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1pu0 s VAL 5 CO 0.07 -0.20 0.22 0.00 -3.33 0.00 0.00 175.10 171.86 1pu0 s VAL 7 N 1.78 5.07 -0.09 0.00 1.01 -1.26 -0.57 120.40 126.33 1pu0 s VAL 7 Ca -0.04 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1pu0 s VAL 7 Cb -0.11 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1pu0 s VAL 7 CO -0.08 -0.21 0.43 -0.76 0.00 0.00 0.00 175.10 174.48 1pu0 s LEU 8 N 2.26 4.32 0.04 3.92 1.43 0.60 -4.12 118.68 127.12 1pu0 s LEU 8 Ca 0.16 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1pu0 s LEU 8 Cb -0.16 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1pu0 s LEU 8 CO 0.13 0.10 -0.03 -0.54 0.23 0.00 0.00 176.35 176.24 1pu0 s LYS 9 N 0.15 0.51 0.00 1.70 1.02 -0.39 -2.07 119.74 120.65 1pu0 s LYS 9 Ca 0.24 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1pu0 s LYS 9 Cb -0.15 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1pu0 s LYS 9 CO 0.10 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1pu0 n GLY 10 N 0.70 2.81 0.07 -3.33 0.00 -1.24 -0.75 105.19 103.46 1pu0 n GLY 10 Ca -0.18 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.99 0.71 0.00 1.61 10.43 -1.26 -4.90 116.55 122.15 1pu0 n ASP 11 Ca 0.00 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.58 1pu0 n ASP 11 Cb 0.00 -0.07 0.00 0.00 1.84 0.00 0.00 41.12 42.89 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 1.34 2.86 0.00 0.44 0.00 -1.26 -5.00 105.19 103.56 1pu0 n GLY 12 Ca 0.04 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.30 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 0.68 -2.81 1.61 -0.04 -1.26 -4.86 135.00 128.32 1pu0 n PRO 13 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1pu0 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.31 4.87 0.12 0.52 1.01 -1.26 -4.11 120.40 119.25 1pu0 s VAL 14 Ca 0.37 1.83 -0.25 0.00 0.00 0.00 0.00 61.98 63.93 1pu0 s VAL 14 Cb 0.21 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1pu0 s VAL 14 CO 0.41 0.08 0.61 0.00 0.00 0.00 0.00 175.10 176.20 1pu0 s GLN 15 N 1.66 1.23 0.00 2.72 -2.07 -1.00 -3.59 119.66 118.61 1pu0 s GLN 15 Ca 0.44 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.66 1pu0 s GLN 15 Cb -0.18 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 1pu0 s GLN 15 CO 0.18 -0.51 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 1pu0 n GLY 16 N -0.12 -1.20 2.93 2.60 0.00 -0.88 -0.41 105.19 108.11 1pu0 n GLY 16 Ca -0.17 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.15 0.78 -0.08 -0.61 1.01 -0.67 -0.30 121.20 119.18 1pu0 s ILE 17 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1pu0 s ILE 17 Cb 0.00 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1pu0 s ILE 17 CO 0.00 0.29 -0.22 -0.63 0.00 0.00 0.00 174.94 174.38 1pu0 s ILE 18 N 0.97 1.84 0.02 2.92 -1.09 0.26 -2.27 121.20 123.86 1pu0 s ILE 18 Ca -0.10 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 1pu0 s ILE 18 Cb -0.15 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1pu0 s ILE 18 CO 0.00 0.51 0.06 0.20 -1.23 0.00 0.00 174.94 174.48 1pu0 s ASN 19 N 0.26 5.50 0.00 3.58 0.01 0.87 -0.10 114.94 125.06 1pu0 s ASN 19 Ca -0.14 0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1pu0 s ASN 19 Cb -0.16 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 1pu0 s ASN 19 CO 0.06 0.24 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.43 1pu0 s PHE 20 N -1.23 0.92 -0.10 2.20 0.08 -0.32 -1.35 117.98 118.18 1pu0 s PHE 20 Ca 0.24 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 1pu0 s PHE 20 Cb -0.12 -0.58 0.04 0.00 -0.57 0.00 0.00 43.02 41.79 1pu0 s PHE 20 CO 0.16 -0.01 0.24 -2.00 -0.10 0.00 0.00 175.22 173.51 1pu0 s GLU 21 N -0.46 0.23 -0.28 0.44 2.12 -0.23 -1.13 118.70 119.38 1pu0 s GLU 21 Ca 0.03 0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.82 1pu0 s GLU 21 Cb -0.05 -0.05 0.09 0.00 0.26 0.00 0.00 34.13 34.38 1pu0 s GLU 21 CO -0.00 -0.13 0.07 -1.14 -0.54 0.00 0.00 175.26 173.52 1pu0 s GLN 22 N 0.94 0.83 0.37 4.30 0.74 0.32 -0.89 119.66 126.27 1pu0 s GLN 22 Ca -0.07 -0.98 0.10 0.00 0.05 0.00 0.00 55.36 54.46 1pu0 s GLN 22 Cb -0.08 -2.12 0.73 0.00 1.10 0.00 0.00 33.01 32.64 1pu0 s GLN 22 CO -0.06 -0.88 1.86 0.87 -0.55 0.00 0.00 175.29 176.53 1pu0 h LYS 23 N 8.08 0.17 -4.41 1.67 6.56 -1.82 -3.42 116.57 123.41 1pu0 h LYS 23 Ca -0.14 -0.05 -0.28 0.00 -1.06 0.00 0.00 60.65 59.12 1pu0 h LYS 23 Cb 1.04 -0.02 -0.24 0.00 -0.57 0.00 0.00 32.23 32.44 1pu0 h LYS 23 CO 0.44 0.40 -0.74 -1.21 -2.06 0.00 0.00 179.45 176.29 1pu0 s GLU 24 N -4.50 0.46 0.42 3.15 2.02 -1.26 -5.04 118.70 113.95 1pu0 s GLU 24 Ca -0.05 -0.54 0.20 0.00 0.02 0.00 0.00 54.97 54.60 1pu0 s GLU 24 Cb 0.15 -0.29 1.13 0.00 0.10 0.00 0.00 34.13 35.23 1pu0 s GLU 24 CO 0.74 0.06 1.82 1.03 0.02 0.00 0.00 175.26 178.93 1pu0 h SER 25 N 5.04 0.38 -0.87 -0.19 0.87 -1.96 -0.01 113.55 116.81 1pu0 h SER 25 Ca -0.33 0.05 -0.58 0.00 -1.23 0.00 0.00 61.79 59.71 1pu0 h SER 25 Cb 1.20 -0.01 -0.40 0.00 -0.44 0.00 0.00 62.40 62.75 1pu0 h SER 25 CO 0.44 0.12 -0.45 0.59 -0.53 0.00 0.00 176.83 177.00 1pu0 n ASN 26 N -4.52 5.50 -4.72 6.23 3.02 -1.26 -4.92 115.26 114.59 1pu0 n ASN 26 Ca 0.22 -3.76 -0.28 0.00 -0.03 0.00 0.00 54.58 50.73 1pu0 n ASN 26 Cb 0.81 -0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 1pu0 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1pu0 s GLY 27 N -3.21 2.58 0.67 7.41 0.00 -0.02 -5.12 107.32 109.64 1pu0 s GLY 27 Ca 0.54 -1.64 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1pu0 s GLY 27 CO 0.01 -2.05 1.08 2.56 0.00 0.00 0.00 173.10 174.69 1pu0 s PRO 28 N -3.87 2.87 -0.20 2.90 0.04 -1.26 -4.88 135.00 130.60 1pu0 s PRO 28 Ca 0.29 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1pu0 s PRO 28 Cb 0.05 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1pu0 s PRO 28 CO 0.16 -1.17 0.06 0.08 0.04 0.00 0.00 177.00 176.17 1pu0 s VAL 29 N -2.65 4.67 -0.00 -0.36 1.01 0.27 -4.44 120.40 118.90 1pu0 s VAL 29 Ca 0.63 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1pu0 s VAL 29 Cb -0.17 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1pu0 s VAL 29 CO 0.46 0.43 0.57 -0.54 0.00 0.00 0.00 175.10 176.02 1pu0 s LYS 30 N 0.66 4.28 -0.14 2.72 1.02 -0.07 -1.00 119.74 127.21 1pu0 s LYS 30 Ca 0.03 0.69 -0.00 0.00 0.02 0.00 0.00 55.97 56.71 1pu0 s LYS 30 Cb -0.13 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1pu0 s LYS 30 CO 0.02 0.41 -0.10 0.08 -0.92 0.00 0.00 175.35 174.84 1pu0 s VAL 31 N -0.31 1.28 0.12 3.17 1.01 0.12 -1.07 120.40 124.72 1pu0 s VAL 31 Ca 0.30 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1pu0 s VAL 31 Cb -0.18 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1pu0 s VAL 31 CO 0.17 0.34 0.44 -1.66 0.00 0.00 0.00 175.10 174.39 1pu0 s TRP 32 N 1.59 -0.28 -5.00 5.22 -2.14 -0.45 -0.61 118.94 117.27 1pu0 s TRP 32 Ca 0.04 0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.83 1pu0 s TRP 32 Cb -0.13 0.31 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1pu0 s TRP 32 CO -0.09 -0.71 0.00 0.41 -2.66 0.00 0.00 176.95 173.90 1pu0 n GLY 33 N -0.13 -0.48 2.99 3.67 0.00 -1.00 -0.09 105.19 110.14 1pu0 n GLY 33 Ca -0.17 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 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 1.07 -0.06 1.61 0.15 -0.96 -0.49 113.70 111.02 1pu0 s SER 34 Ca 0.00 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.51 1pu0 s SER 34 Cb 0.00 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1pu0 s SER 34 CO 0.00 0.06 -0.14 -0.63 1.20 0.00 0.00 173.24 173.73 1pu0 s ILE 35 N 0.18 1.22 0.47 6.45 1.01 -0.39 -1.68 121.20 128.46 1pu0 s ILE 35 Ca -0.03 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1pu0 s ILE 35 Cb -0.08 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1pu0 s ILE 35 CO 0.00 0.37 0.14 -1.59 0.00 0.00 0.00 174.94 173.87 1pu0 s LYS 36 N 0.52 2.18 0.00 2.79 -2.85 0.45 -0.19 119.74 122.64 1pu0 s LYS 36 Ca -0.13 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 52.73 1pu0 s LYS 36 Cb -0.15 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1pu0 s LYS 36 CO 0.04 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.60 1pu0 n GLY 37 N -1.32 0.72 3.90 0.59 0.00 -0.93 -2.38 105.19 105.77 1pu0 n GLY 37 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 4.38 0.58 0.99 1.43 -0.59 -4.34 118.68 121.12 1pu0 s LEU 38 Ca 0.00 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.30 1pu0 s LEU 38 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1pu0 s LEU 38 CO 0.00 0.29 1.20 0.42 0.23 0.00 0.00 176.35 178.49 1pu0 s THR 39 N -1.26 2.71 0.31 5.49 -4.23 -1.26 -4.04 115.64 113.36 1pu0 s THR 39 Ca 0.25 0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 60.91 1pu0 s THR 39 Cb -0.13 -3.18 -0.12 0.00 1.34 0.00 0.00 72.50 70.41 1pu0 s THR 39 CO 0.15 -0.09 1.56 1.21 -0.54 0.00 0.00 174.62 176.92 1pu0 n GLU 40 N -1.49 2.66 0.00 3.99 2.13 -1.26 -4.52 120.64 122.16 1pu0 n GLU 40 Ca 0.13 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.89 1pu0 n GLU 40 Cb 0.50 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.50 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 1.81 -0.09 3.78 8.31 0.00 -0.41 -4.90 105.19 113.69 1pu0 n GLY 41 Ca 0.07 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 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 4.58 -0.05 0.99 1.43 -1.26 -0.74 118.68 123.62 1pu0 s LEU 42 Ca 0.00 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 1pu0 s LEU 42 Cb 0.00 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 43.01 1pu0 s LEU 42 CO 0.00 0.22 -0.07 -1.00 0.23 0.00 0.00 176.35 175.73 1pu0 s HIS 43 N -1.15 0.98 0.53 0.29 3.76 0.02 -3.06 115.29 116.66 1pu0 s HIS 43 Ca 0.35 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.73 1pu0 s HIS 43 Cb -0.22 -0.79 -0.07 0.00 1.11 0.00 0.00 32.58 32.61 1pu0 s HIS 43 CO 0.25 -0.21 1.10 0.41 -0.85 0.00 0.00 174.74 175.44 1pu0 n GLY 44 N 3.94 0.06 2.73 -2.22 0.00 -0.01 -1.09 105.19 108.59 1pu0 n GLY 44 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.37 -0.22 0.07 1.61 5.36 -0.07 -1.08 117.98 122.29 1pu0 s PHE 45 Ca 0.70 0.06 -0.07 0.00 -0.96 0.00 0.00 56.93 56.67 1pu0 s PHE 45 Cb -0.46 -0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.78 1pu0 s PHE 45 CO 0.51 -0.64 0.14 -1.01 -1.46 0.00 0.00 175.22 172.76 1pu0 s HIS 46 N 2.30 0.23 -0.17 10.12 3.76 -0.84 -2.66 115.29 128.02 1pu0 s HIS 46 Ca 0.07 -0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 54.13 1pu0 s HIS 46 Cb -0.16 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.37 1pu0 s HIS 46 CO -0.15 -0.49 0.52 0.08 -0.85 0.00 0.00 174.74 173.85 1pu0 s VAL 47 N -3.73 5.12 0.26 -0.90 1.01 -0.52 -0.88 120.40 120.76 1pu0 s VAL 47 Ca 0.04 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.08 1pu0 s VAL 47 Cb 0.05 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1pu0 s VAL 47 CO -0.10 0.21 0.29 -1.00 0.00 0.00 0.00 175.10 174.50 1pu0 s HIS 48 N 1.36 3.21 0.12 5.22 3.76 0.25 -0.87 115.29 128.34 1pu0 s HIS 48 Ca 0.25 -0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.87 1pu0 s HIS 48 Cb -0.15 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 1pu0 s HIS 48 CO 0.10 0.41 1.72 1.49 -0.85 0.00 0.00 174.74 177.61 1pu0 h GLU 49 N 1.29 0.38 -5.88 1.40 4.81 -0.91 -2.78 114.58 112.89 1pu0 h GLU 49 Ca -0.49 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1pu0 h GLU 49 Cb 1.24 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 1pu0 h GLU 49 CO 0.60 0.33 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.54 1pu0 s PHE 50 N -5.86 3.20 -0.13 0.92 0.08 0.23 -4.68 117.98 111.73 1pu0 s PHE 50 Ca -0.13 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 1pu0 s PHE 50 Cb 0.09 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1pu0 s PHE 50 CO 0.71 0.45 2.72 0.41 -0.10 0.00 0.00 175.22 179.41 1pu0 n GLY 51 N 2.26 3.27 3.21 4.36 0.00 -1.05 -3.73 105.19 113.50 1pu0 n GLY 51 Ca -0.19 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 1.41 5.17 -0.25 1.61 3.68 -1.26 -4.95 116.67 122.08 1pu0 s ASP 52 Ca 0.39 -1.36 0.13 0.00 2.13 0.00 0.00 52.55 53.84 1pu0 s ASP 52 Cb 0.22 -1.81 0.63 0.00 -1.45 0.00 0.00 42.92 40.50 1pu0 s ASP 52 CO -0.04 -0.35 1.59 -3.20 0.13 0.00 0.00 175.17 173.29 1pu0 n ASN 53 N 4.71 4.14 -0.02 -0.34 2.85 -1.26 -3.02 115.26 122.32 1pu0 n ASN 53 Ca -0.11 -3.20 0.02 0.00 -0.11 0.00 0.00 54.58 51.18 1pu0 n ASN 53 Cb 0.43 -0.64 0.34 0.00 1.24 0.00 0.00 39.78 41.16 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 2.16 1.16 -1.78 -0.44 1.35 -1.92 -2.94 112.91 110.48 1pu0 h THR 54 Ca 0.12 -0.49 -0.60 0.00 -0.55 0.00 0.00 66.41 64.89 1pu0 h THR 54 Cb 1.82 0.67 -0.41 0.00 -1.73 0.00 0.00 68.15 68.49 1pu0 h THR 54 CO 0.44 0.19 -0.63 0.00 -0.25 0.00 0.00 175.52 175.27 1pu0 n ALA 55 N -2.47 5.00 -0.91 6.62 0.00 -1.26 -5.08 120.51 122.42 1pu0 n ALA 55 Ca 0.03 -4.45 0.00 0.00 0.00 0.00 0.00 53.44 49.02 1pu0 n ALA 55 Cb 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.40 1.04 0.22 0.00 0.00 -1.11 -2.93 105.19 102.01 1pu0 n GLY 56 Ca 0.37 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 1.21 0.00 0.00 2.02 -1.87 -1.52 112.91 112.75 1pu0 h THR 58 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1pu0 h THR 58 Cb 0.48 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1pu0 h THR 58 CO 0.00 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1pu0 n SER 59 N -4.36 0.00 0.05 4.18 3.41 -1.20 -2.95 113.62 112.74 1pu0 n SER 59 Ca 0.07 -0.53 0.09 0.00 -0.26 0.00 0.00 58.87 58.23 1pu0 n SER 59 Cb 0.10 -0.12 0.37 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.12 1.64 -0.22 7.33 0.00 -0.57 -4.51 120.51 123.07 1pu0 n ALA 60 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pu0 n ALA 60 Cb 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.04 -1.15 2.79 0.00 0.00 -1.15 -0.60 105.19 105.03 1pu0 n GLY 61 Ca 0.03 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.09 -0.68 -1.88 1.61 -0.04 -1.26 -4.64 135.00 128.01 1pu0 n PRO 62 Ca 0.00 -1.60 -0.41 0.00 -0.04 0.00 0.00 63.50 61.45 1pu0 n PRO 62 Cb 0.00 -0.86 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -2.87 2.67 -0.05 0.54 3.76 -1.26 -0.79 115.29 117.29 1pu0 s HIS 63 Ca 0.53 1.25 -0.33 0.00 -0.15 0.00 0.00 55.06 56.36 1pu0 s HIS 63 Cb -0.02 -3.91 -0.11 0.00 1.11 0.00 0.00 32.58 29.65 1pu0 s HIS 63 CO 0.37 -2.69 1.92 0.34 -0.85 0.00 0.00 174.74 173.82 1pu0 n PHE 64 N 0.40 2.39 -2.97 1.40 -0.00 -0.05 -4.48 117.46 114.14 1pu0 n PHE 64 Ca 0.02 -0.13 -0.14 0.00 -0.00 0.00 0.00 57.45 57.19 1pu0 n PHE 64 Cb 0.40 -2.71 0.02 0.00 -0.00 0.00 0.00 39.48 37.19 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 7.00 -0.83 0.23 -2.13 5.15 -1.26 -1.27 115.26 122.15 1pu0 n ASN 65 Ca 0.22 -3.27 0.16 0.00 -0.60 0.00 0.00 54.58 51.09 1pu0 n ASN 65 Cb 0.33 0.60 0.75 0.00 -0.53 0.00 0.00 39.78 40.93 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 3.21 0.00 -0.39 1.20 0.13 -1.93 -1.57 132.00 132.65 1pu0 h PRO 66 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pu0 h PRO 66 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1pu0 h PRO 66 CO 0.34 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.39 1pu0 n LEU 67 N -2.68 3.39 -3.85 1.56 4.77 -1.26 -4.97 117.00 113.95 1pu0 n LEU 67 Ca -0.00 -1.54 -0.25 0.00 -0.03 0.00 0.00 56.01 54.18 1pu0 n LEU 67 Cb 0.16 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1pu0 n LEU 67 CO 0.19 0.74 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.72 1pu0 n SER 68 N 1.39 -1.78 -4.98 -1.43 7.64 -0.59 -4.98 113.62 108.88 1pu0 n SER 68 Ca 0.18 -0.88 -0.20 0.00 1.01 0.00 0.00 58.87 58.98 1pu0 n SER 68 Cb 0.58 -3.65 0.03 0.00 -1.01 0.00 0.00 64.21 60.16 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 -6.34 2.66 0.61 1.43 0.52 -1.26 -5.11 118.95 111.46 1pu0 s ARG 69 Ca 0.18 -0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 1pu0 s ARG 69 Cb -0.09 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 1pu0 s ARG 69 CO 0.85 -0.56 0.99 0.15 0.02 0.00 0.00 175.30 176.75 1pu0 s LYS 70 N -4.63 3.37 0.37 3.54 1.02 -1.26 -4.68 119.74 117.46 1pu0 s LYS 70 Ca 0.56 0.53 -0.28 0.00 0.02 0.00 0.00 55.97 56.80 1pu0 s LYS 70 Cb -0.10 -2.14 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1pu0 s LYS 70 CO 0.37 -0.62 1.34 -1.58 -0.92 0.00 0.00 175.35 173.94 1pu0 s HIS 71 N -3.13 2.87 0.00 3.18 5.65 0.32 -3.24 115.29 120.94 1pu0 s HIS 71 Ca 0.54 1.37 0.00 0.00 0.25 0.00 0.00 55.06 57.22 1pu0 s HIS 71 Cb -0.11 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.55 1pu0 s HIS 71 CO 0.51 -2.17 0.00 0.41 -0.65 0.00 0.00 174.74 172.84 1pu0 n GLY 72 N 0.68 3.08 3.94 1.59 0.00 -1.25 -4.39 105.19 108.84 1pu0 n GLY 72 Ca 0.02 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.97 1.53 0.54 -0.02 0.00 -1.17 -4.63 107.32 102.61 1pu0 s GLY 73 Ca 0.00 -0.88 0.23 0.00 0.00 0.00 0.00 44.72 44.07 1pu0 s GLY 73 CO 0.00 -0.70 2.17 -0.56 0.00 0.00 0.00 173.10 174.01 1pu0 h PRO 74 N 0.31 0.00 0.00 2.90 0.13 -1.86 -1.01 132.00 132.46 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pu0 h PRO 74 CO 0.59 0.03 -0.03 1.63 -0.23 0.00 0.00 178.00 180.00 1pu0 n LYS 75 N -4.13 0.07 -2.61 0.86 5.02 -1.26 -4.87 118.16 111.24 1pu0 n LYS 75 Ca -0.03 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1pu0 n LYS 75 Cb 0.12 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.38 6.92 0.17 4.39 -0.00 -0.39 -4.96 116.67 119.43 1pu0 s ASP 76 Ca 0.13 1.98 -0.02 0.00 -0.00 0.00 0.00 52.55 54.65 1pu0 s ASP 76 Cb 0.17 -2.58 0.05 0.00 -0.00 0.00 0.00 42.92 40.56 1pu0 s ASP 76 CO 0.55 -0.37 1.43 -0.08 -0.00 0.00 0.00 175.17 176.70 1pu0 h GLU 77 N 2.68 0.42 -5.58 8.23 4.57 -1.89 -3.38 114.58 119.63 1pu0 h GLU 77 Ca -0.48 -0.34 -0.62 0.00 -1.18 0.00 0.00 59.36 56.74 1pu0 h GLU 77 Cb 1.21 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 29.73 1pu0 h GLU 77 CO 0.63 0.98 0.56 -2.00 -1.18 0.00 0.00 179.01 178.00 1pu0 s GLU 78 N -3.63 3.17 0.19 1.92 2.56 -1.26 -4.95 118.70 116.71 1pu0 s GLU 78 Ca -0.06 -0.66 -0.22 0.00 0.00 0.00 0.00 54.97 54.03 1pu0 s GLU 78 Cb 0.10 -4.18 0.05 0.00 2.00 0.00 0.00 34.13 32.11 1pu0 s GLU 78 CO 0.84 -1.73 0.63 -0.98 -0.56 0.00 0.00 175.26 173.46 1pu0 s ARG 79 N 4.07 1.42 0.42 4.30 1.70 -1.21 -3.84 118.95 125.82 1pu0 s ARG 79 Ca 0.25 -0.63 -0.23 0.00 -0.47 0.00 0.00 55.73 54.64 1pu0 s ARG 79 Cb -0.15 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.73 1pu0 s ARG 79 CO 0.13 -0.63 1.08 -1.01 -1.08 0.00 0.00 175.30 173.79 1pu0 s HIS 80 N -3.80 3.14 0.34 5.89 3.76 -1.20 -4.65 115.29 118.77 1pu0 s HIS 80 Ca 0.04 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 56.62 1pu0 s HIS 80 Cb -0.02 -3.19 0.72 0.00 1.11 0.00 0.00 32.58 31.19 1pu0 s HIS 80 CO -0.07 -0.89 1.89 0.28 -0.85 0.00 0.00 174.74 175.10 1pu0 h VAL 81 N 2.05 0.93 0.00 -0.90 2.07 -1.87 -1.56 116.25 116.97 1pu0 h VAL 81 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pu0 h VAL 81 Cb 1.22 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1pu0 h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1pu0 n GLY 82 N -1.42 -0.90 3.54 2.17 0.00 -0.40 -4.39 105.19 103.80 1pu0 n GLY 82 Ca 0.16 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.56 6.18 0.00 1.61 1.01 -0.59 -1.44 116.67 121.89 1pu0 s ASP 83 Ca 0.22 -0.47 0.23 0.00 0.71 0.00 0.00 52.55 53.24 1pu0 s ASP 83 Cb 0.10 -2.54 0.47 0.00 1.01 0.00 0.00 42.92 41.96 1pu0 s ASP 83 CO 0.17 -1.76 1.43 0.18 0.21 0.00 0.00 175.17 175.40 1pu0 n LEU 84 N 9.10 3.59 0.00 1.23 4.77 -1.09 -3.79 117.00 130.81 1pu0 n LEU 84 Ca 0.03 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1pu0 n LEU 84 Cb 0.49 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1pu0 n LEU 84 CO 0.70 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 1pu0 n GLY 85 N 1.55 0.50 3.49 -0.72 0.00 -1.20 -4.77 105.19 104.04 1pu0 n GLY 85 Ca 0.21 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 3.76 0.15 1.61 0.01 -1.26 -0.89 114.94 114.32 1pu0 s ASN 86 Ca 0.00 -0.83 0.09 0.00 -0.71 0.00 0.00 52.86 51.41 1pu0 s ASN 86 Cb 0.00 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 1pu0 s ASN 86 CO 0.00 0.08 -0.17 0.68 -1.51 0.00 0.00 177.10 176.19 1pu0 s VAL 87 N -1.98 2.87 -0.16 1.60 -7.23 -0.25 -4.91 120.40 110.34 1pu0 s VAL 87 Ca 0.25 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1pu0 s VAL 87 Cb -0.07 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1pu0 s VAL 87 CO 0.13 0.01 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.95 1pu0 s THR 88 N -1.38 3.29 0.04 5.32 2.01 -1.26 -0.80 115.64 122.87 1pu0 s THR 88 Ca 0.20 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1pu0 s THR 88 Cb -0.10 -2.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 1pu0 s THR 88 CO 0.11 0.49 0.45 0.00 -0.69 0.00 0.00 174.62 174.98 1pu0 s ALA 89 N 0.67 3.67 0.89 7.40 0.00 0.08 -4.25 121.76 130.22 1pu0 s ALA 89 Ca -0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 1pu0 s ALA 89 Cb -0.15 -2.42 0.13 0.00 0.00 0.00 0.00 23.12 20.68 1pu0 s ALA 89 CO 0.02 0.48 0.78 -0.40 0.00 0.00 0.00 175.76 176.65 1pu0 n ASP 90 N 1.51 0.28 0.17 0.00 3.85 0.25 -1.28 116.55 121.32 1pu0 n ASP 90 Ca -0.11 -1.42 0.13 0.00 -0.71 0.00 0.00 54.79 52.68 1pu0 n ASP 90 Cb 0.52 -0.58 0.55 0.00 -1.35 0.00 0.00 41.12 40.26 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 -0.00 0.11 2.10 -1.96 0.75 116.57 117.56 1pu0 h LYS 91 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1pu0 h LYS 91 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1pu0 h LYS 91 CO 0.20 0.00 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.34 1pu0 n ASP 92 N -2.46 0.37 0.00 7.07 10.43 -1.26 -4.90 116.55 125.80 1pu0 n ASP 92 Ca 0.02 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.74 1pu0 n ASP 92 Cb 0.25 -0.09 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 1.22 0.72 3.58 0.44 0.00 0.26 -4.75 105.19 106.65 1pu0 n GLY 93 Ca 0.17 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 4.81 -0.43 1.61 1.01 -1.26 -1.54 120.40 122.61 1pu0 s VAL 94 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1pu0 s VAL 94 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1pu0 s VAL 94 CO 0.00 0.38 0.32 0.00 0.00 0.00 0.00 175.10 175.80 1pu0 s ALA 95 N 1.05 3.47 -0.89 5.51 0.00 0.74 -0.59 121.76 131.05 1pu0 s ALA 95 Ca 0.05 -1.91 -0.21 0.00 0.00 0.00 0.00 51.96 49.90 1pu0 s ALA 95 Cb -0.14 -2.91 0.10 0.00 0.00 0.00 0.00 23.12 20.17 1pu0 s ALA 95 CO 0.04 -1.57 1.18 -0.51 0.00 0.00 0.00 175.76 174.90 1pu0 s ASP 96 N 2.06 6.49 0.21 0.00 -0.00 -1.26 -1.26 116.67 122.90 1pu0 s ASP 96 Ca 0.04 -1.63 -0.30 0.00 -0.00 0.00 0.00 52.55 50.67 1pu0 s ASP 96 Cb -0.21 -2.45 -0.08 0.00 -0.00 0.00 0.00 42.92 40.17 1pu0 s ASP 96 CO 0.08 -1.28 1.12 -0.69 -0.00 0.00 0.00 175.17 174.39 1pu0 s VAL 97 N 3.64 3.71 -0.31 -1.27 1.01 0.36 -4.91 120.40 122.64 1pu0 s VAL 97 Ca 0.34 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.87 1pu0 s VAL 97 Cb -0.06 -3.98 0.16 0.00 0.00 0.00 0.00 36.38 32.50 1pu0 s VAL 97 CO -0.05 0.29 0.40 -0.55 0.00 0.00 0.00 175.10 175.19 1pu0 s SER 98 N -0.28 0.53 0.06 3.32 0.15 -1.25 -2.37 113.70 113.86 1pu0 s SER 98 Ca 0.49 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.60 1pu0 s SER 98 Cb -0.31 1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1pu0 s SER 98 CO 0.37 -0.34 -0.15 -0.63 1.20 0.00 0.00 173.24 173.69 1pu0 s ILE 99 N 2.36 1.23 -0.07 6.45 1.01 0.22 -5.01 121.20 127.39 1pu0 s ILE 99 Ca 0.11 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1pu0 s ILE 99 Cb -0.12 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1pu0 s ILE 99 CO -0.26 -0.06 -0.13 -0.70 0.00 0.00 0.00 174.94 173.79 1pu0 s GLU 100 N -1.42 1.82 -0.01 2.79 2.12 -1.26 -0.70 118.70 122.04 1pu0 s GLU 100 Ca 0.02 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1pu0 s GLU 100 Cb -0.09 -1.51 0.01 0.00 0.26 0.00 0.00 34.13 32.80 1pu0 s GLU 100 CO 0.02 0.02 -0.00 0.34 -0.54 0.00 0.00 175.26 175.09 1pu0 s ASP 101 N 0.72 0.24 -0.00 -1.70 -1.08 -0.17 -4.96 116.67 109.72 1pu0 s ASP 101 Ca -0.13 -0.02 0.18 0.00 -0.52 0.00 0.00 52.55 52.06 1pu0 s ASP 101 Cb -0.16 -0.09 0.53 0.00 -1.46 0.00 0.00 42.92 41.74 1pu0 s ASP 101 CO 0.03 -0.04 1.44 -1.20 0.52 0.00 0.00 175.17 175.92 1pu0 n SER 102 N 3.54 3.61 -0.11 -0.34 7.64 -1.26 -0.56 113.62 126.14 1pu0 n SER 102 Ca -0.19 -2.02 -0.17 0.00 1.01 0.00 0.00 58.87 57.50 1pu0 n SER 102 Cb 0.55 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1pu0 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pu0 n VAL 103 N 1.22 1.25 -1.23 0.44 0.31 -1.26 -4.88 118.33 114.17 1pu0 n VAL 103 Ca 0.20 -0.45 -0.32 0.00 -0.01 0.00 0.00 64.34 63.76 1pu0 n VAL 103 Cb 0.56 -1.37 0.10 0.00 -0.91 0.00 0.00 33.84 32.22 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 -2.43 2.84 0.12 2.52 -4.36 -1.26 -4.86 121.20 113.76 1pu0 s ILE 104 Ca -0.30 0.31 -0.09 0.00 -0.26 0.00 0.00 60.65 60.31 1pu0 s ILE 104 Cb 0.08 -2.70 -0.00 0.00 1.25 0.00 0.00 42.46 41.09 1pu0 s ILE 104 CO 0.48 -0.32 0.24 -0.55 0.24 0.00 0.00 174.94 175.03 1pu0 s SER 105 N -2.86 0.07 0.00 4.36 0.15 -0.96 -4.63 113.70 109.82 1pu0 s SER 105 Ca 0.66 -0.72 0.23 0.00 0.70 0.00 0.00 55.95 56.81 1pu0 s SER 105 Cb -0.21 0.38 0.64 0.00 -1.71 0.00 0.00 66.02 65.13 1pu0 s SER 105 CO 0.52 -0.80 1.54 0.18 1.20 0.00 0.00 173.24 175.88 1pu0 n LEU 106 N -0.13 3.95 -3.95 3.45 4.77 -1.26 -1.74 117.00 122.10 1pu0 n LEU 106 Ca -0.12 -1.98 -0.09 0.00 -0.03 0.00 0.00 56.01 53.79 1pu0 n LEU 106 Cb 0.63 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1pu0 n LEU 106 CO 0.23 0.98 -0.07 -0.94 -1.33 0.00 0.00 177.39 176.26 1pu0 s SER 107 N -1.02 0.10 0.00 -1.43 1.04 -1.26 -4.84 113.70 106.28 1pu0 s SER 107 Ca 0.49 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1pu0 s SER 107 Cb 0.26 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1pu0 s SER 107 CO 0.33 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1pu0 n GLY 108 N -0.15 -1.93 0.29 7.32 0.00 -1.26 -3.53 105.19 105.93 1pu0 n GLY 108 Ca -0.10 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.54 1.61 3.45 -2.01 -1.99 116.42 116.94 1pu0 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1pu0 h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1pu0 h ASP 109 CO 0.00 0.04 0.00 1.41 -1.57 0.00 0.00 179.24 179.12 1pu0 n HIS 110 N -3.25 1.26 -1.88 4.55 8.25 -1.26 -4.97 115.22 117.92 1pu0 n HIS 110 Ca -0.01 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 1pu0 n HIS 110 Cb 0.22 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 3.25 0.00 -2.08 0.00 -5.35 -0.71 -4.93 119.36 109.54 1pu0 n ILE 112 Ca 0.11 -0.47 -0.41 0.00 -0.27 0.00 0.00 62.75 61.71 1pu0 n ILE 112 Cb 0.38 1.33 -0.02 0.00 -1.74 0.00 0.00 39.64 39.59 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 -1.52 2.76 0.00 7.28 1.01 -1.26 -1.77 121.20 127.70 1pu0 s ILE 113 Ca 0.19 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1pu0 s ILE 113 Cb 0.14 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1pu0 s ILE 113 CO 0.25 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1pu0 n GLY 114 N 1.70 0.97 1.51 6.18 0.00 0.12 -5.00 105.19 110.67 1pu0 n GLY 114 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 1.18 -5.02 1.61 1.74 -0.73 -2.53 116.66 110.92 1pu0 n ARG 115 Ca 0.00 -1.38 -0.32 0.00 -0.77 0.00 0.00 57.85 55.38 1pu0 n ARG 115 Cb 0.00 0.16 -0.16 0.00 -1.02 0.00 0.00 32.46 31.44 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 -1.11 2.53 -0.05 0.55 2.01 -1.05 -0.17 115.64 118.34 1pu0 s THR 116 Ca 0.12 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 1pu0 s THR 116 Cb -0.01 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1pu0 s THR 116 CO 0.07 0.55 0.63 -0.22 -0.69 0.00 0.00 174.62 174.96 1pu0 s LEU 117 N 0.29 4.35 -0.04 4.42 2.96 -0.46 0.84 118.68 131.04 1pu0 s LEU 117 Ca -0.14 1.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1pu0 s LEU 117 Cb -0.17 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1pu0 s LEU 117 CO 0.07 -0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.23 1pu0 s VAL 118 N 0.35 1.46 -0.06 1.68 1.01 -0.06 -2.03 120.40 122.74 1pu0 s VAL 118 Ca 0.33 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1pu0 s VAL 118 Cb -0.18 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1pu0 s VAL 118 CO 0.17 0.42 -0.11 0.54 0.00 0.00 0.00 175.10 176.11 1pu0 s VAL 119 N -0.05 3.33 0.38 2.92 0.11 -0.66 -1.99 120.40 124.43 1pu0 s VAL 119 Ca -0.02 -0.62 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1pu0 s VAL 119 Cb -0.11 -2.34 -0.03 0.00 -1.53 0.00 0.00 36.38 32.38 1pu0 s VAL 119 CO 0.02 0.59 0.28 -1.00 -3.33 0.00 0.00 175.10 171.66 1pu0 s HIS 120 N -0.66 2.76 0.16 1.54 3.76 -0.24 -1.03 115.29 121.57 1pu0 s HIS 120 Ca 0.10 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.46 1pu0 s HIS 120 Cb -0.11 -1.92 0.04 0.00 1.11 0.00 0.00 32.58 31.70 1pu0 s HIS 120 CO 0.01 0.10 1.69 1.49 -0.85 0.00 0.00 174.74 177.18 1pu0 h GLU 121 N 1.25 0.82 -5.67 1.40 4.81 -0.29 -3.39 114.58 113.50 1pu0 h GLU 121 Ca -0.43 -0.17 -0.61 0.00 -0.13 0.00 0.00 59.36 58.02 1pu0 h GLU 121 Cb 1.26 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 1pu0 h GLU 121 CO 0.60 0.75 -0.62 0.15 -0.73 0.00 0.00 179.01 179.16 1pu0 s LYS 122 N -5.42 1.88 0.46 1.92 1.02 -0.19 -4.93 119.74 114.48 1pu0 s LYS 122 Ca -0.13 -2.04 -0.25 0.00 0.02 0.00 0.00 55.97 53.57 1pu0 s LYS 122 Cb 0.12 -1.56 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 1pu0 s LYS 122 CO 0.79 -0.02 1.41 0.00 -0.92 0.00 0.00 175.35 176.61 1pu0 s ALA 123 N -2.76 3.19 -0.09 5.17 0.00 -1.17 -0.83 121.76 125.27 1pu0 s ALA 123 Ca 0.34 1.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.45 1pu0 s ALA 123 Cb 0.08 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1pu0 s ALA 123 CO 0.17 -1.18 0.91 0.34 0.00 0.00 0.00 175.76 176.01 1pu0 s ASP 124 N -0.59 7.17 0.00 0.00 3.68 -1.26 -3.87 116.67 121.80 1pu0 s ASP 124 Ca 0.62 1.42 0.11 0.00 2.13 0.00 0.00 52.55 56.83 1pu0 s ASP 124 Cb -0.43 -2.51 0.37 0.00 -1.45 0.00 0.00 42.92 38.90 1pu0 s ASP 124 CO 0.54 -0.34 1.28 -0.90 0.13 0.00 0.00 175.17 175.89 1pu0 n ASP 125 N 4.61 1.43 -1.82 -0.34 3.85 0.07 -4.88 116.55 119.46 1pu0 n ASP 125 Ca 0.06 -1.92 -0.18 0.00 -0.71 0.00 0.00 54.79 52.03 1pu0 n ASP 125 Cb 0.50 -0.16 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 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 0.25 -1.64 0.00 -2.12 4.77 -1.26 -1.97 117.00 115.03 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 0.24 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 1pu0 n LEU 126 CO 0.08 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.30 1pu0 n GLY 127 N -0.93 0.65 1.07 -0.72 0.00 -1.26 -3.03 105.19 100.98 1pu0 n GLY 127 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.66 3.30 0.06 1.61 5.02 -0.83 -4.61 118.16 120.05 1pu0 n LYS 128 Ca 0.00 -2.84 0.13 0.00 -2.02 0.00 0.00 58.31 53.58 1pu0 n LYS 128 Cb 0.00 -1.87 0.31 0.00 -0.02 0.00 0.00 35.03 33.45 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 -0.16 -1.49 3.10 0.72 0.00 -1.26 -4.96 105.19 101.14 1pu0 n GLY 129 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.37 0.68 3.75 -0.02 0.00 -1.26 -4.97 105.19 104.74 1pu0 n GLY 130 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.62 4.37 0.24 1.61 4.22 -1.26 -5.03 114.94 116.47 1pu0 s ASN 131 Ca 0.00 -1.19 -0.05 0.00 -2.14 0.00 0.00 52.86 49.48 1pu0 s ASN 131 Cb 0.00 -0.25 0.36 0.00 1.28 0.00 0.00 41.25 42.64 1pu0 s ASN 131 CO 0.00 -0.64 1.83 -0.33 -2.04 0.00 0.00 177.10 175.92 1pu0 h GLU 132 N 1.36 0.87 -0.08 3.55 5.08 -2.01 -2.13 114.58 121.22 1pu0 h GLU 132 Ca -0.42 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 1pu0 h GLU 132 Cb 1.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1pu0 h GLU 132 CO 0.70 0.58 -0.18 1.49 -1.00 0.00 0.00 179.01 180.60 1pu0 h GLU 133 N 0.90 0.12 -0.45 2.33 4.57 -1.99 -2.62 114.58 117.44 1pu0 h GLU 133 Ca 0.38 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1pu0 h GLU 133 Cb 0.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1pu0 h GLU 133 CO -0.20 0.30 0.23 1.03 -1.18 0.00 0.00 179.01 179.19 1pu0 h SER 134 N 0.12 0.55 0.46 1.04 0.87 -1.72 0.09 113.55 114.96 1pu0 h SER 134 Ca 0.02 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1pu0 h SER 134 Cb 0.39 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1pu0 h SER 134 CO 0.03 0.47 -0.03 0.35 -0.53 0.00 0.00 176.83 177.11 1pu0 n THR 135 N -4.40 0.00 -0.05 2.23 -2.24 -0.99 -2.39 114.28 106.44 1pu0 n THR 135 Ca 0.03 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1pu0 n THR 135 Cb 0.11 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.16 0.28 0.00 -0.78 5.02 -0.64 -0.52 118.16 120.35 1pu0 n LYS 136 Ca 0.15 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1pu0 n LYS 136 Cb 0.24 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -3.73 0.00 -1.06 -0.18 -2.24 -0.08 -4.67 114.28 102.32 1pu0 n THR 137 Ca -0.20 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1pu0 n THR 137 Cb 0.54 1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.14 0.53 2.58 3.38 0.00 -1.00 -2.74 105.19 108.08 1pu0 n GLY 138 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 0.15 -5.82 0.00 1.61 3.02 -1.25 -0.75 115.26 112.22 1pu0 n ASN 139 Ca -0.02 -0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.55 1pu0 n ASN 139 Cb 0.17 -4.81 0.51 0.00 -0.61 0.00 0.00 39.78 35.03 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 -2.46 2.06 -0.26 5.41 0.00 -1.11 -4.70 120.51 119.46 1pu0 n ALA 140 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1pu0 n ALA 140 Cb 0.66 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.66 -0.50 3.88 0.00 0.00 -1.26 -1.02 105.19 106.96 1pu0 n GLY 141 Ca 0.08 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 4.63 -0.44 1.61 1.04 -1.26 -4.61 113.70 110.67 1pu0 s SER 142 Ca 0.00 0.90 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 1pu0 s SER 142 Cb 0.00 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.66 1pu0 s SER 142 CO 0.00 -1.84 0.54 -0.13 0.98 0.00 0.00 173.24 172.79 1pu0 s ARG 143 N -5.48 3.18 0.02 4.02 0.52 -1.26 0.13 118.95 120.07 1pu0 s ARG 143 Ca 0.61 -0.60 0.11 0.00 -0.52 0.00 0.00 55.73 55.33 1pu0 s ARG 143 Cb -0.12 -3.97 -0.22 0.00 0.52 0.00 0.00 34.95 31.17 1pu0 s ARG 143 CO 0.50 -0.95 0.87 -0.07 0.02 0.00 0.00 175.30 175.67 1pu0 h LEU 144 N 9.39 0.00 -7.04 2.53 3.38 -1.38 -3.47 115.31 118.71 1pu0 h LEU 144 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1pu0 h LEU 144 Cb 1.10 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.67 1pu0 h LEU 144 CO 0.85 0.98 0.16 0.00 0.09 0.00 0.00 178.44 180.52 1pu0 s ALA 145 N -2.65 -1.66 0.25 1.53 0.00 -1.18 -4.20 121.76 113.85 1pu0 s ALA 145 Ca -0.03 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 1pu0 s ALA 145 Cb 0.09 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.39 1pu0 s ALA 145 CO 0.82 -0.43 0.63 0.00 0.00 0.00 0.00 175.76 176.78 1pu0 s GLY 147 N -2.91 -0.45 0.18 0.00 0.00 -0.86 -1.26 107.32 102.02 1pu0 s GLY 147 Ca 0.11 1.49 -0.30 0.00 0.00 0.00 0.00 44.72 46.03 1pu0 s GLY 147 CO 0.03 0.86 0.93 0.14 0.00 0.00 0.00 173.10 175.07 1pu0 s VAL 148 N -1.55 4.26 -0.19 1.40 1.01 -1.26 -1.36 120.40 122.70 1pu0 s VAL 148 Ca -0.05 2.05 -0.27 0.00 0.00 0.00 0.00 61.98 63.71 1pu0 s VAL 148 Cb -0.00 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 1pu0 s VAL 148 CO 0.03 0.43 0.93 -0.63 0.00 0.00 0.00 175.10 175.87 1pu0 s ILE 149 N -0.73 4.79 0.32 2.22 1.01 0.76 -4.51 121.20 125.05 1pu0 s ILE 149 Ca 0.43 1.83 0.10 0.00 0.00 0.00 0.00 60.65 63.01 1pu0 s ILE 149 Cb -0.25 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 37.94 1pu0 s ILE 149 CO 0.31 -0.07 -0.08 -0.83 0.00 0.00 0.00 174.94 174.27 1pu0 s GLY 150 N 1.20 2.03 0.23 6.18 0.00 -0.29 -0.70 107.32 115.97 1pu0 s GLY 150 Ca 0.41 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 1pu0 s GLY 150 CO 0.10 -1.95 1.41 -0.42 0.00 0.00 0.00 173.10 172.24 1pu0 s ILE 151 N -2.53 2.81 0.25 0.90 1.01 -1.26 -1.13 121.20 121.24 1pu0 s ILE 151 Ca 0.32 0.67 0.09 0.00 0.00 0.00 0.00 60.65 61.74 1pu0 s ILE 151 Cb -0.01 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1pu0 s ILE 151 CO 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 174.94 175.20 1pu0 s ALA 152 N 0.05 3.13 -2.00 9.38 0.00 0.02 -4.78 121.76 127.57 1pu0 s ALA 152 Ca 0.59 -1.60 0.18 0.00 0.00 0.00 0.00 51.96 51.13 1pu0 s ALA 152 Cb -0.40 -0.78 1.08 0.00 0.00 0.00 0.00 23.12 23.01 1pu0 s ALA 152 CO 0.42 0.31 1.48 0.94 0.00 0.00 0.00 175.76 178.91