#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2q n THR 2 N 0.00 0.00 -4.34 0.00 -2.24 -1.26 -4.73 114.28 101.71 3h2q n THR 2 Ca 0.00 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 3h2q n THR 2 Cb 0.00 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 68.82 3h2q n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h2q s LYS 3 N -1.75 0.82 0.14 -0.78 1.02 -1.26 -0.34 119.74 117.59 3h2q s LYS 3 Ca 0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 3h2q s LYS 3 Cb 0.02 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.52 3h2q s LYS 3 CO 0.14 0.20 0.16 0.00 -0.92 0.00 0.00 175.35 174.92 3h2q s ALA 4 N -0.67 0.46 0.04 5.17 0.00 -0.57 -1.47 121.76 124.72 3h2q s ALA 4 Ca 0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 3h2q s ALA 4 Cb -0.06 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.91 3h2q s ALA 4 CO 0.01 -0.55 0.23 0.54 0.00 0.00 0.00 175.76 175.98 3h2q s VAL 5 N -4.01 0.10 -0.07 0.00 0.11 0.10 -0.83 120.40 115.80 3h2q s VAL 5 Ca 0.20 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.41 3h2q s VAL 5 Cb 0.06 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3h2q s VAL 5 CO 0.01 -0.45 0.14 0.00 -3.33 0.00 0.00 175.10 171.47 3h2q s VAL 7 N 1.56 5.23 -0.14 0.00 1.01 -1.26 -1.50 120.40 125.30 3h2q s VAL 7 Ca -0.05 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3h2q s VAL 7 Cb -0.12 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3h2q s VAL 7 CO -0.06 0.10 0.59 -0.76 0.00 0.00 0.00 175.10 174.97 3h2q s LEU 8 N 1.90 4.23 0.04 3.92 1.43 -0.09 -3.87 118.68 126.24 3h2q s LEU 8 Ca 0.10 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 3h2q s LEU 8 Cb -0.16 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 3h2q s LEU 8 CO 0.11 -0.15 0.09 -0.54 0.23 0.00 0.00 176.35 176.10 3h2q s LYS 9 N 1.24 0.60 0.00 1.70 1.02 -0.36 -1.97 119.74 121.97 3h2q s LYS 9 Ca 0.30 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.50 3h2q s LYS 9 Cb -0.16 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 3h2q s LYS 9 CO 0.12 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 3h2q n GLY 10 N 0.70 3.32 0.02 -3.33 0.00 -1.24 -0.93 105.19 103.74 3h2q n GLY 10 Ca -0.19 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.77 3h2q n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h2q n ASP 11 N -1.09 0.17 0.00 1.61 8.00 -1.26 -4.82 116.55 119.16 3h2q n ASP 11 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 3h2q n ASP 11 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3h2q n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2q n GLY 12 N 1.18 5.86 0.04 0.44 0.00 -1.26 -5.05 105.19 106.40 3h2q n GLY 12 Ca 0.06 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3h2q n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2q n PRO 13 N 0.00 0.21 -2.36 1.61 -0.04 -1.26 -4.90 135.00 128.27 3h2q n PRO 13 Ca 0.00 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 3h2q n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3h2q n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h2q s VAL 14 N -2.84 3.88 0.09 0.52 1.01 -1.26 -4.51 120.40 117.29 3h2q s VAL 14 Ca 0.18 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 3h2q s VAL 14 Cb 0.19 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3h2q s VAL 14 CO 0.57 0.09 0.37 0.00 0.00 0.00 0.00 175.10 176.12 3h2q s GLN 15 N 1.25 0.98 0.00 2.72 -2.07 -0.75 -3.71 119.66 118.08 3h2q s GLN 15 Ca 0.60 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 53.50 3h2q s GLN 15 Cb -0.31 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 3h2q s GLN 15 CO 0.29 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 3h2q n GLY 16 N 0.04 -1.14 2.84 2.60 0.00 -0.83 -0.33 105.19 108.37 3h2q n GLY 16 Ca -0.17 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 3h2q n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2q s ILE 17 N -2.09 0.37 -0.06 -0.61 1.01 -0.78 -0.91 121.20 118.12 3h2q s ILE 17 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3h2q s ILE 17 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.02 3h2q s ILE 17 CO 0.00 0.20 -0.18 -0.63 0.00 0.00 0.00 174.94 174.34 3h2q s ILE 18 N 1.20 1.52 0.12 2.92 -1.09 -0.56 -2.17 121.20 123.14 3h2q s ILE 18 Ca -0.07 -0.74 0.06 0.00 -2.23 0.00 0.00 60.65 57.67 3h2q s ILE 18 Cb -0.14 -1.32 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 3h2q s ILE 18 CO -0.02 0.44 -0.00 0.20 -1.23 0.00 0.00 174.94 174.33 3h2q s ASN 19 N 0.25 4.91 0.02 3.58 0.01 0.15 -0.90 114.94 122.95 3h2q s ASN 19 Ca -0.10 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 3h2q s ASN 19 Cb -0.14 -1.11 -0.02 0.00 0.41 0.00 0.00 41.25 40.39 3h2q s ASN 19 CO 0.04 0.14 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.28 3h2q s PHE 20 N -1.46 1.15 -0.08 2.20 0.08 -0.01 -1.35 117.98 118.50 3h2q s PHE 20 Ca 0.26 -0.29 -0.06 0.00 0.12 0.00 0.00 56.93 56.96 3h2q s PHE 20 Cb -0.11 -0.71 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 3h2q s PHE 20 CO 0.18 0.01 0.21 -2.00 -0.10 0.00 0.00 175.22 173.52 3h2q s GLU 21 N -0.79 0.21 -0.21 0.44 2.12 -0.36 -1.51 118.70 118.61 3h2q s GLU 21 Ca 0.03 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.70 3h2q s GLU 21 Cb -0.07 0.01 0.07 0.00 0.26 0.00 0.00 34.13 34.40 3h2q s GLU 21 CO 0.00 -0.09 0.06 -1.14 -0.54 0.00 0.00 175.26 173.55 3h2q s GLN 22 N 0.59 0.54 0.19 4.30 0.74 0.53 -0.52 119.66 126.03 3h2q s GLN 22 Ca -0.04 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 54.86 3h2q s GLN 22 Cb -0.05 -2.00 0.11 0.00 1.10 0.00 0.00 33.01 32.17 3h2q s GLN 22 CO -0.03 -0.70 1.67 0.87 -0.55 0.00 0.00 175.29 176.54 3h2q h LYS 23 N 8.27 1.05 -5.13 1.67 1.79 -1.82 -3.41 116.57 118.99 3h2q h LYS 23 Ca -0.16 -0.32 -0.41 0.00 -2.18 0.00 0.00 60.65 57.58 3h2q h LYS 23 Cb 1.11 -0.10 -0.25 0.00 -1.58 0.00 0.00 32.23 31.40 3h2q h LYS 23 CO 0.35 1.01 -0.78 -1.21 -1.08 0.00 0.00 179.45 177.74 3h2q s GLU 24 N -5.06 0.85 0.61 3.15 2.02 -1.26 -5.03 118.70 113.98 3h2q s GLU 24 Ca -0.11 -0.68 0.32 0.00 0.02 0.00 0.00 54.97 54.51 3h2q s GLU 24 Cb 0.14 -0.82 1.83 0.00 0.10 0.00 0.00 34.13 35.37 3h2q s GLU 24 CO 0.85 0.20 2.18 0.66 0.02 0.00 0.00 175.26 179.17 3h2q h SER 25 N 5.05 0.00 -0.29 -0.19 4.64 -1.95 0.14 113.55 120.95 3h2q h SER 25 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3h2q h SER 25 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3h2q h SER 25 CO 0.44 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 3h2q n ASN 26 N -3.64 3.22 -4.99 4.97 6.94 -1.26 -4.90 115.26 115.60 3h2q n ASN 26 Ca -0.01 -2.41 -0.19 0.00 -0.02 0.00 0.00 54.58 51.96 3h2q n ASN 26 Cb 0.22 -0.34 0.03 0.00 -2.36 0.00 0.00 39.78 37.33 3h2q n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3h2q s GLY 27 N -1.40 1.86 0.76 4.83 0.00 0.50 -5.09 107.32 108.78 3h2q s GLY 27 Ca 0.29 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 3h2q s GLY 27 CO 0.12 -1.46 1.14 -4.14 0.00 0.00 0.00 173.10 168.76 3h2q s PRO 28 N -4.54 2.09 -0.21 2.90 0.02 -1.26 -4.86 135.00 129.14 3h2q s PRO 28 Ca 0.58 1.47 -0.07 0.00 0.02 0.00 0.00 61.00 62.99 3h2q s PRO 28 Cb -0.09 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3h2q s PRO 28 CO 0.36 -1.81 0.06 0.08 -0.33 0.00 0.00 177.00 175.36 3h2q s VAL 29 N -2.46 4.53 -0.00 3.83 1.01 0.20 -4.44 120.40 123.08 3h2q s VAL 29 Ca 0.67 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.31 3h2q s VAL 29 Cb -0.22 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 3h2q s VAL 29 CO 0.50 0.41 0.68 -0.54 0.00 0.00 0.00 175.10 176.15 3h2q s LYS 30 N 0.89 4.41 -0.14 2.72 1.02 0.32 -0.90 119.74 128.06 3h2q s LYS 30 Ca 0.03 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.91 3h2q s LYS 30 Cb -0.14 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 3h2q s LYS 30 CO 0.03 0.26 -0.13 0.08 -0.92 0.00 0.00 175.35 174.67 3h2q s VAL 31 N 0.10 1.50 0.01 3.17 1.01 0.69 -1.22 120.40 125.66 3h2q s VAL 31 Ca 0.35 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3h2q s VAL 31 Cb -0.19 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3h2q s VAL 31 CO 0.19 0.45 0.23 -1.66 0.00 0.00 0.00 175.10 174.31 3h2q s TRP 32 N 1.51 -0.06 -4.56 5.22 -2.14 -0.45 -0.09 118.94 118.37 3h2q s TRP 32 Ca 0.05 0.01 0.00 0.00 2.66 0.00 0.00 56.10 58.82 3h2q s TRP 32 Cb -0.13 0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 3h2q s TRP 32 CO -0.10 -0.38 0.00 0.41 -2.66 0.00 0.00 176.95 174.22 3h2q n GLY 33 N 1.14 -0.51 3.07 3.67 0.00 -0.31 0.31 105.19 112.57 3h2q n GLY 33 Ca -0.21 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3h2q n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2q s SER 34 N -4.00 -0.06 -0.05 1.61 0.15 -0.92 -0.44 113.70 110.00 3h2q s SER 34 Ca 0.00 0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.70 3h2q s SER 34 Cb 0.00 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 3h2q s SER 34 CO 0.00 -0.23 -0.12 -0.63 1.20 0.00 0.00 173.24 173.46 3h2q s ILE 35 N -0.73 1.07 0.40 6.45 1.01 -0.37 -1.87 121.20 127.15 3h2q s ILE 35 Ca -0.08 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3h2q s ILE 35 Cb -0.05 -0.96 -0.08 0.00 0.01 0.00 0.00 42.46 41.38 3h2q s ILE 35 CO 0.01 0.33 -0.01 -1.59 0.00 0.00 0.00 174.94 173.68 3h2q s LYS 36 N 0.45 1.92 0.00 2.79 -2.85 0.56 0.03 119.74 122.63 3h2q s LYS 36 Ca -0.10 -2.07 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 3h2q s LYS 36 Cb -0.13 -1.62 0.00 0.00 -2.06 0.00 0.00 37.83 34.02 3h2q s LYS 36 CO 0.02 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.86 3h2q n GLY 37 N -0.93 0.53 3.91 0.59 0.00 -0.88 -1.81 105.19 106.61 3h2q n GLY 37 Ca -0.05 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 3h2q n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2q s LEU 38 N 0.00 3.99 0.42 0.99 1.43 -0.72 -4.24 118.68 120.55 3h2q s LEU 38 Ca 0.00 0.67 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 3h2q s LEU 38 Cb 0.00 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 3h2q s LEU 38 CO 0.00 -0.27 1.07 0.42 0.23 0.00 0.00 176.35 177.80 3h2q s THR 39 N -2.23 3.62 0.29 5.49 -4.23 -1.26 -4.15 115.64 113.18 3h2q s THR 39 Ca 0.43 1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 61.86 3h2q s THR 39 Cb -0.10 -3.62 -0.11 0.00 1.34 0.00 0.00 72.50 70.00 3h2q s THR 39 CO 0.33 -0.01 1.60 -0.70 -0.54 0.00 0.00 174.62 175.30 3h2q s GLU 40 N -2.58 4.12 0.00 3.99 2.12 -1.26 -4.65 118.70 120.44 3h2q s GLU 40 Ca 0.59 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.50 3h2q s GLU 40 Cb -0.23 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3h2q s GLU 40 CO 0.28 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 3h2q n GLY 41 N 2.23 0.33 3.80 -1.50 0.00 -0.51 -4.94 105.19 104.59 3h2q n GLY 41 Ca 0.08 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 3h2q n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2q s LEU 42 N 0.00 4.47 -0.04 0.99 1.43 -1.26 -1.13 118.68 123.13 3h2q s LEU 42 Ca 0.00 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 3h2q s LEU 42 Cb 0.00 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3h2q s LEU 42 CO 0.00 0.13 0.02 -1.00 0.23 0.00 0.00 176.35 175.73 3h2q s HIS 43 N -1.33 0.28 0.47 0.29 3.76 -0.30 -2.87 115.29 115.58 3h2q s HIS 43 Ca 0.38 0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 55.11 3h2q s HIS 43 Cb -0.20 -0.48 -0.08 0.00 1.11 0.00 0.00 32.58 32.93 3h2q s HIS 43 CO 0.23 -0.18 1.31 0.41 -0.85 0.00 0.00 174.74 175.66 3h2q n GLY 44 N 4.63 0.66 2.65 -2.22 0.00 -0.49 -0.61 105.19 109.80 3h2q n GLY 44 Ca -0.17 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3h2q n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2q s PHE 45 N -1.24 0.86 0.06 1.61 5.36 -0.14 -0.97 117.98 123.53 3h2q s PHE 45 Ca 0.64 -1.05 0.04 0.00 -0.96 0.00 0.00 56.93 55.60 3h2q s PHE 45 Cb -0.47 -1.14 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 3h2q s PHE 45 CO 0.55 -0.75 -0.12 -1.01 -1.46 0.00 0.00 175.22 172.43 3h2q s HIS 46 N 1.91 1.05 -0.17 10.12 3.76 -0.77 -1.15 115.29 130.05 3h2q s HIS 46 Ca 0.06 -0.47 -0.18 0.00 -0.15 0.00 0.00 55.06 54.32 3h2q s HIS 46 Cb -0.17 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 3h2q s HIS 46 CO -0.24 0.01 0.47 0.08 -0.85 0.00 0.00 174.74 174.22 3h2q s VAL 47 N -1.31 5.16 0.22 -0.90 1.01 0.11 -0.60 120.40 124.10 3h2q s VAL 47 Ca -0.04 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.88 3h2q s VAL 47 Cb -0.10 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3h2q s VAL 47 CO 0.02 0.26 0.25 -1.00 0.00 0.00 0.00 175.10 174.62 3h2q s HIS 48 N 1.14 3.27 0.16 5.22 3.76 0.12 -0.94 115.29 128.02 3h2q s HIS 48 Ca 0.23 -0.04 -0.14 0.00 -0.15 0.00 0.00 55.06 54.96 3h2q s HIS 48 Cb -0.15 -1.50 0.04 0.00 1.11 0.00 0.00 32.58 32.08 3h2q s HIS 48 CO 0.09 0.50 1.75 1.49 -0.85 0.00 0.00 174.74 177.72 3h2q h GLU 49 N 1.61 0.72 -5.92 1.40 4.81 -0.69 -2.41 114.58 114.09 3h2q h GLU 49 Ca -0.49 -0.10 -0.67 0.00 -0.13 0.00 0.00 59.36 57.96 3h2q h GLU 49 Cb 1.22 -0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.28 3h2q h GLU 49 CO 0.62 0.58 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.74 3h2q s PHE 50 N -5.76 2.97 -0.32 0.92 0.08 -0.14 -4.60 117.98 111.13 3h2q s PHE 50 Ca -0.13 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 3h2q s PHE 50 Cb 0.12 -1.77 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3h2q s PHE 50 CO 0.76 0.25 3.16 0.41 -0.10 0.00 0.00 175.22 179.70 3h2q n GLY 51 N 2.53 3.76 3.11 4.36 0.00 -0.95 -3.79 105.19 114.21 3h2q n GLY 51 Ca -0.18 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 3h2q n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2q s ASP 52 N 1.17 4.68 -0.25 1.61 -1.08 -1.26 -4.96 116.67 116.58 3h2q s ASP 52 Ca 0.63 -1.40 0.13 0.00 -0.52 0.00 0.00 52.55 51.39 3h2q s ASP 52 Cb 0.34 -1.63 0.65 0.00 -1.46 0.00 0.00 42.92 40.82 3h2q s ASP 52 CO -0.11 -0.24 1.60 -3.20 0.52 0.00 0.00 175.17 173.74 3h2q n ASN 53 N 4.51 4.37 0.18 -0.34 4.05 -1.26 -3.04 115.26 123.73 3h2q n ASN 53 Ca -0.12 -3.15 0.03 0.00 0.45 0.00 0.00 54.58 51.79 3h2q n ASN 53 Cb 0.43 -0.64 0.34 0.00 1.23 0.00 0.00 39.78 41.13 3h2q n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 3h2q h THR 54 N 2.39 1.17 -2.14 -0.44 1.35 -1.93 -3.29 112.91 110.03 3h2q h THR 54 Ca 0.10 -1.47 -0.59 0.00 -0.55 0.00 0.00 66.41 63.91 3h2q h THR 54 Cb 1.83 1.82 -0.41 0.00 -1.73 0.00 0.00 68.15 69.66 3h2q h THR 54 CO 0.44 0.40 -0.75 0.00 -0.25 0.00 0.00 175.52 175.36 3h2q n ALA 55 N -2.41 3.59 -0.34 6.62 0.00 -1.26 -5.03 120.51 121.69 3h2q n ALA 55 Ca -0.01 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.07 3h2q n ALA 55 Cb 0.46 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3h2q n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2q n GLY 56 N 0.94 2.32 0.05 0.00 0.00 -1.24 -0.96 105.19 106.30 3h2q n GLY 56 Ca 0.27 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3h2q n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2q h THR 58 N 0.25 1.34 0.00 0.00 2.02 -1.38 -3.07 112.91 112.07 3h2q h THR 58 Ca 0.00 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3h2q h THR 58 Cb 0.41 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3h2q h THR 58 CO 0.00 0.66 0.00 -1.54 0.37 0.00 0.00 175.52 175.01 3h2q n SER 59 N -3.86 0.00 0.29 4.18 3.41 -1.05 -2.35 113.62 114.24 3h2q n SER 59 Ca -0.06 -0.48 0.19 0.00 -0.26 0.00 0.00 58.87 58.25 3h2q n SER 59 Cb 0.76 -0.09 0.92 0.00 -0.26 0.00 0.00 64.21 65.54 3h2q n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2q h ALA 60 N 3.29 1.00 -0.31 7.33 0.00 -1.45 -3.39 119.26 125.72 3h2q h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2q h ALA 60 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h2q h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h2q n GLY 61 N -0.61 -0.41 3.81 0.00 0.00 -0.99 -0.97 105.19 106.02 3h2q n GLY 61 Ca -0.01 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3h2q n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2q s PRO 62 N 0.00 1.53 0.13 1.61 0.04 -1.26 -4.60 135.00 132.46 3h2q s PRO 62 Ca 0.00 0.34 -0.35 0.00 0.04 0.00 0.00 61.00 61.03 3h2q s PRO 62 Cb 0.00 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.50 3h2q s PRO 62 CO 0.00 -1.94 1.35 1.58 0.04 0.00 0.00 177.00 178.04 3h2q n HIS 63 N -3.59 1.66 -2.26 0.56 -0.00 -1.26 -0.60 115.22 109.72 3h2q n HIS 63 Ca 0.07 0.56 -0.42 0.00 0.46 0.00 0.00 57.72 58.38 3h2q n HIS 63 Cb 0.59 -2.37 -0.03 0.00 -0.12 0.00 0.00 29.99 28.06 3h2q n HIS 63 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 3h2q s PHE 64 N 0.37 2.63 -0.41 1.57 5.36 -0.12 -4.63 117.98 122.76 3h2q s PHE 64 Ca 0.80 0.75 0.06 0.00 -0.96 0.00 0.00 56.93 57.57 3h2q s PHE 64 Cb -0.86 -3.65 0.18 0.00 -0.34 0.00 0.00 43.02 38.36 3h2q s PHE 64 CO 0.46 -2.45 0.70 1.21 -1.46 0.00 0.00 175.22 173.68 3h2q s ASN 65 N 2.29 -1.37 0.58 6.13 2.47 -1.26 -0.77 114.94 123.01 3h2q s ASN 65 Ca 0.62 -0.81 0.40 0.00 0.42 0.00 0.00 52.86 53.48 3h2q s ASN 65 Cb -0.28 1.76 1.36 0.00 -1.45 0.00 0.00 41.25 42.65 3h2q s ASN 65 CO 0.22 -0.14 1.44 -0.65 -3.72 0.00 0.00 177.10 174.26 3h2q h PRO 66 N 6.55 0.00 0.00 0.43 0.11 -1.92 -3.48 132.00 133.69 3h2q h PRO 66 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3h2q h PRO 66 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h2q h PRO 66 CO 0.07 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.75 3h2q n ARG 79 N -3.61 0.00 -2.44 1.05 1.85 -1.26 -5.10 116.66 107.14 3h2q n ARG 79 Ca 0.35 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.81 3h2q n ARG 79 Cb 1.81 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 33.18 3h2q n ARG 79 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3h2q s ARG 80 N 0.00 4.34 0.22 2.89 0.52 -1.26 -4.95 118.95 120.71 3h2q s ARG 80 Ca 0.00 1.73 -0.07 0.00 -0.52 0.00 0.00 55.73 56.87 3h2q s ARG 80 Cb 0.00 -2.85 0.32 0.00 0.52 0.00 0.00 34.95 32.94 3h2q s ARG 80 CO 0.00 -0.04 1.78 0.28 0.02 0.00 0.00 175.30 177.34 3h2q h VAL 81 N 2.62 0.86 0.00 3.52 2.07 -1.93 -1.71 116.25 121.67 3h2q h VAL 81 Ca -0.48 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3h2q h VAL 81 Cb 1.22 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3h2q h VAL 81 CO 0.64 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3h2q n GLY 82 N -1.30 -0.93 3.54 2.17 0.00 0.05 -4.27 105.19 104.46 3h2q n GLY 82 Ca 0.11 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3h2q n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2q s ASP 83 N -2.30 6.25 -0.32 1.61 -1.08 -0.65 0.10 116.67 120.29 3h2q s ASP 83 Ca 0.30 -0.36 0.10 0.00 -0.52 0.00 0.00 52.55 52.07 3h2q s ASP 83 Cb 0.16 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.85 3h2q s ASP 83 CO 0.32 -1.65 1.81 0.18 0.52 0.00 0.00 175.17 176.35 3h2q n LEU 84 N 8.79 6.10 0.00 -1.34 4.77 -0.30 -4.92 117.00 130.10 3h2q n LEU 84 Ca 0.04 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 3h2q n LEU 84 Cb 0.48 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3h2q n LEU 84 CO 0.70 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.16 3h2q n GLY 85 N -0.08 0.04 3.27 -0.72 0.00 -1.22 -4.77 105.19 101.71 3h2q n GLY 85 Ca 0.40 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 3h2q n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h2q s ASN 86 N -4.00 2.65 0.26 1.61 0.01 -1.26 -0.96 114.94 113.25 3h2q s ASN 86 Ca 0.00 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.65 3h2q s ASN 86 Cb 0.00 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 3h2q s ASN 86 CO 0.00 0.20 0.44 0.68 -1.51 0.00 0.00 177.10 176.91 3h2q s VAL 87 N -0.75 5.18 -0.18 1.60 -7.23 0.22 -4.87 120.40 114.37 3h2q s VAL 87 Ca 0.09 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 3h2q s VAL 87 Cb -0.09 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.05 3h2q s VAL 87 CO 0.01 -0.35 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.40 3h2q s THR 88 N -2.06 2.39 -0.08 5.32 2.01 -1.26 -1.15 115.64 120.81 3h2q s THR 88 Ca 0.38 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 3h2q s THR 88 Cb -0.10 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3h2q s THR 88 CO 0.31 0.51 0.34 0.00 -0.69 0.00 0.00 174.62 175.10 3h2q s ALA 89 N 1.23 3.68 0.97 7.40 0.00 -0.29 -4.11 121.76 130.64 3h2q s ALA 89 Ca 0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 3h2q s ALA 89 Cb -0.14 -2.34 0.08 0.00 0.00 0.00 0.00 23.12 20.71 3h2q s ALA 89 CO -0.09 0.35 0.45 -0.40 0.00 0.00 0.00 175.76 176.08 3h2q n ASP 90 N 2.51 0.06 0.28 0.00 5.68 0.30 -1.42 116.55 123.97 3h2q n ASP 90 Ca -0.14 -1.18 0.15 0.00 -0.50 0.00 0.00 54.79 53.12 3h2q n ASP 90 Cb 0.53 -0.34 0.89 0.00 -1.14 0.00 0.00 41.12 41.06 3h2q n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3h2q h LYS 91 N 0.00 0.00 -0.02 0.11 1.57 -1.98 -0.02 116.57 116.23 3h2q h LYS 91 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3h2q h LYS 91 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3h2q h LYS 91 CO 0.11 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.74 3h2q n ASP 92 N -3.84 1.13 0.00 0.86 8.00 -1.26 -4.88 116.55 116.56 3h2q n ASP 92 Ca -0.02 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.08 3h2q n ASP 92 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3h2q n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2q n GLY 93 N 1.12 0.45 3.50 0.44 0.00 -0.02 -4.71 105.19 105.97 3h2q n GLY 93 Ca 0.20 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3h2q n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2q s VAL 94 N -2.00 3.95 -0.22 1.61 1.01 -1.26 -1.76 120.40 121.72 3h2q s VAL 94 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3h2q s VAL 94 Cb 0.00 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 3h2q s VAL 94 CO 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 3h2q s ALA 95 N 0.47 2.78 -0.19 5.51 0.00 0.10 -0.54 121.76 129.89 3h2q s ALA 95 Ca -0.03 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 3h2q s ALA 95 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 3h2q s ALA 95 CO 0.03 -0.47 0.47 -0.51 0.00 0.00 0.00 175.76 175.28 3h2q s ASP 96 N 1.46 6.53 -0.18 0.00 1.01 -1.26 -1.24 116.67 123.00 3h2q s ASP 96 Ca 0.05 0.63 -0.04 0.00 0.71 0.00 0.00 52.55 53.90 3h2q s ASP 96 Cb -0.14 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3h2q s ASP 96 CO -0.04 -0.13 -0.02 -0.69 0.21 0.00 0.00 175.17 174.50 3h2q s VAL 97 N 1.43 3.89 -0.30 -1.27 1.01 0.42 -4.80 120.40 120.78 3h2q s VAL 97 Ca 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 3h2q s VAL 97 Cb -0.15 -2.73 0.14 0.00 0.00 0.00 0.00 36.38 33.64 3h2q s VAL 97 CO 0.09 0.47 0.30 -0.55 0.00 0.00 0.00 175.10 175.41 3h2q s SER 98 N 0.65 1.61 0.09 3.32 0.15 -1.25 -1.16 113.70 117.11 3h2q s SER 98 Ca -0.02 -0.82 0.05 0.00 0.70 0.00 0.00 55.95 55.86 3h2q s SER 98 Cb -0.14 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 3h2q s SER 98 CO 0.02 -0.38 -0.13 -0.63 1.20 0.00 0.00 173.24 173.32 3h2q s ILE 99 N 2.29 1.13 -0.07 6.45 1.01 0.87 -5.00 121.20 127.88 3h2q s ILE 99 Ca 0.10 -1.50 0.02 0.00 0.00 0.00 0.00 60.65 59.27 3h2q s ILE 99 Cb -0.14 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.08 3h2q s ILE 99 CO -0.30 -0.36 -0.12 -0.70 0.00 0.00 0.00 174.94 173.46 3h2q s GLU 100 N -2.25 1.65 -0.05 2.79 2.12 -1.26 -0.22 118.70 121.49 3h2q s GLU 100 Ca 0.03 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.98 3h2q s GLU 100 Cb -0.07 -1.39 0.02 0.00 0.26 0.00 0.00 34.13 32.95 3h2q s GLU 100 CO 0.02 0.01 -0.05 0.34 -0.54 0.00 0.00 175.26 175.03 3h2q s ASP 101 N 0.73 1.10 -0.19 -1.70 -1.08 -0.08 -4.95 116.67 110.49 3h2q s ASP 101 Ca -0.13 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.90 3h2q s ASP 101 Cb -0.16 -0.50 0.69 0.00 -1.46 0.00 0.00 42.92 41.49 3h2q s ASP 101 CO 0.03 -0.05 1.61 -1.54 0.52 0.00 0.00 175.17 175.74 3h2q n SER 102 N 4.08 4.88 -0.04 -0.34 3.41 -1.26 -0.63 113.62 123.72 3h2q n SER 102 Ca -0.24 -2.83 -0.08 0.00 -0.26 0.00 0.00 58.87 55.46 3h2q n SER 102 Cb 0.51 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 3h2q n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h2q n VAL 103 N 0.36 0.49 -1.46 -3.33 0.31 -1.26 -4.92 118.33 108.52 3h2q n VAL 103 Ca 0.25 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 64.09 3h2q n VAL 103 Cb 1.02 -1.16 0.08 0.00 -0.91 0.00 0.00 33.84 32.87 3h2q n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3h2q s ILE 104 N -2.17 3.08 0.14 2.52 -4.36 -1.26 -4.84 121.20 114.32 3h2q s ILE 104 Ca -0.12 0.44 -0.03 0.00 -0.26 0.00 0.00 60.65 60.68 3h2q s ILE 104 Cb 0.04 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 3h2q s ILE 104 CO 0.18 -0.38 0.12 -0.55 0.24 0.00 0.00 174.94 174.55 3h2q s SER 105 N -2.82 0.23 -0.13 4.36 0.15 -0.79 -4.58 113.70 110.12 3h2q s SER 105 Ca 0.66 -1.14 0.16 0.00 0.70 0.00 0.00 55.95 56.33 3h2q s SER 105 Cb -0.20 0.34 0.61 0.00 -1.71 0.00 0.00 66.02 65.05 3h2q s SER 105 CO 0.48 -0.78 1.52 0.18 1.20 0.00 0.00 173.24 175.85 3h2q n LEU 106 N -0.13 4.34 -3.86 3.45 4.77 -1.26 -1.43 117.00 122.87 3h2q n LEU 106 Ca -0.05 -2.61 -0.07 0.00 -0.03 0.00 0.00 56.01 53.25 3h2q n LEU 106 Cb 0.64 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3h2q n LEU 106 CO 0.29 0.73 0.45 -0.94 -1.33 0.00 0.00 177.39 176.59 3h2q s SER 107 N -1.21 -0.25 0.50 -1.43 1.04 -1.26 -4.38 113.70 106.70 3h2q s SER 107 Ca 0.44 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3h2q s SER 107 Cb 0.31 0.72 0.00 0.00 0.10 0.00 0.00 66.02 67.15 3h2q s SER 107 CO 0.17 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3h2q n GLY 108 N -0.45 -0.24 0.32 7.32 0.00 -1.26 -3.20 105.19 107.68 3h2q n GLY 108 Ca -0.04 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 44.97 3h2q n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2q h ASP 109 N 0.51 0.52 -0.56 1.61 3.32 -2.01 -1.17 116.42 118.63 3h2q h ASP 109 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3h2q h ASP 109 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3h2q h ASP 109 CO 0.00 0.36 0.00 1.41 -1.72 0.00 0.00 179.24 179.29 3h2q n HIS 110 N -4.47 2.01 -1.76 4.55 8.25 -1.26 -4.93 115.22 117.61 3h2q n HIS 110 Ca 0.05 -0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 56.36 3h2q n HIS 110 Cb 0.12 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 3h2q n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h2q n ILE 112 N 4.00 0.00 -1.72 0.00 -5.35 -0.51 -4.90 119.36 110.87 3h2q n ILE 112 Ca 0.16 -0.38 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 3h2q n ILE 112 Cb 0.36 1.24 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 3h2q n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3h2q s ILE 113 N -1.74 2.00 0.00 7.28 1.01 -1.26 -1.35 121.20 127.15 3h2q s ILE 113 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3h2q s ILE 113 Cb 0.13 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3h2q s ILE 113 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3h2q n GLY 114 N 3.81 1.04 0.98 6.18 0.00 -0.00 -5.00 105.19 112.20 3h2q n GLY 114 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3h2q n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2q n ARG 115 N -2.00 0.97 -4.83 1.61 1.74 -0.45 -2.23 116.66 111.46 3h2q n ARG 115 Ca 0.00 -0.80 -0.32 0.00 -0.77 0.00 0.00 57.85 55.96 3h2q n ARG 115 Cb 0.00 -0.04 -0.16 0.00 -1.02 0.00 0.00 32.46 31.24 3h2q n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h2q s THR 116 N -0.03 2.14 -0.05 0.55 2.01 -0.91 -0.69 115.64 118.65 3h2q s THR 116 Ca 0.14 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 3h2q s THR 116 Cb -0.01 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3h2q s THR 116 CO 0.09 0.55 0.70 -0.22 -0.69 0.00 0.00 174.62 175.05 3h2q s LEU 117 N 0.66 4.33 -0.05 4.42 2.96 -0.47 0.16 118.68 130.70 3h2q s LEU 117 Ca -0.11 1.21 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 3h2q s LEU 117 Cb -0.16 -3.08 -0.00 0.00 0.50 0.00 0.00 46.19 43.44 3h2q s LEU 117 CO 0.02 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.11 3h2q s VAL 118 N 0.66 1.35 -0.15 1.68 1.01 0.23 -2.00 120.40 123.17 3h2q s VAL 118 Ca 0.37 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3h2q s VAL 118 Cb -0.18 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3h2q s VAL 118 CO 0.18 0.39 -0.05 0.54 0.00 0.00 0.00 175.10 176.17 3h2q s VAL 119 N 0.15 3.81 0.36 2.92 0.11 -0.67 -1.84 120.40 125.23 3h2q s VAL 119 Ca -0.06 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 3h2q s VAL 119 Cb -0.12 -2.66 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 3h2q s VAL 119 CO 0.02 0.50 0.50 -1.00 -3.33 0.00 0.00 175.10 171.79 3h2q s HIS 120 N 0.36 3.09 0.19 1.54 3.76 -0.14 -0.88 115.29 123.20 3h2q s HIS 120 Ca -0.05 -0.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3h2q s HIS 120 Cb -0.14 -2.07 0.10 0.00 1.11 0.00 0.00 32.58 31.57 3h2q s HIS 120 CO 0.03 -0.10 1.60 1.49 -0.85 0.00 0.00 174.74 176.91 3h2q h GLU 121 N 0.81 0.90 -5.14 1.40 4.81 -0.12 -3.36 114.58 113.88 3h2q h GLU 121 Ca -0.45 -0.37 -0.50 0.00 -0.13 0.00 0.00 59.36 57.91 3h2q h GLU 121 Cb 1.26 -0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.46 3h2q h GLU 121 CO 0.52 1.02 -0.57 0.15 -0.73 0.00 0.00 179.01 179.40 3h2q s LYS 122 N -4.68 1.76 0.62 1.92 1.02 0.71 -4.86 119.74 116.23 3h2q s LYS 122 Ca -0.10 -2.02 -0.18 0.00 0.02 0.00 0.00 55.97 53.69 3h2q s LYS 122 Cb 0.13 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.64 3h2q s LYS 122 CO 0.85 -0.30 1.22 0.00 -0.92 0.00 0.00 175.35 176.20 3h2q s ALA 123 N -3.28 2.48 -0.35 5.17 0.00 -1.14 -1.40 121.76 123.24 3h2q s ALA 123 Ca 0.31 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 3h2q s ALA 123 Cb 0.06 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3h2q s ALA 123 CO 0.15 -1.30 0.61 0.34 0.00 0.00 0.00 175.76 175.55 3h2q s ASP 124 N -1.62 6.40 -0.21 0.00 -1.08 -1.26 -3.79 116.67 115.11 3h2q s ASP 124 Ca 0.78 0.10 0.06 0.00 -0.52 0.00 0.00 52.55 52.97 3h2q s ASP 124 Cb -0.31 -2.31 -0.21 0.00 -1.46 0.00 0.00 42.92 38.62 3h2q s ASP 124 CO 0.35 -0.57 0.01 0.47 0.52 0.00 0.00 175.17 175.96 3h2q n ASP 125 N 5.97 1.32 -0.14 -0.34 8.00 -1.26 -4.97 116.55 125.13 3h2q n ASP 125 Ca -0.02 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3h2q n ASP 125 Cb 0.49 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3h2q n ASP 125 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3h2q n ASN 139 N -3.12 -1.08 -0.06 -2.24 6.94 -1.26 -5.24 115.26 109.19 3h2q n ASN 139 Ca -0.38 0.00 0.15 0.00 -0.02 0.00 0.00 54.58 54.33 3h2q n ASN 139 Cb 1.05 -0.40 0.75 0.00 -2.36 0.00 0.00 39.78 38.82 3h2q n ASN 139 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h2q n ALA 140 N -1.35 2.63 -0.28 -2.53 0.00 -1.25 -4.76 120.51 112.98 3h2q n ALA 140 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3h2q n ALA 140 Cb 0.40 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3h2q n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2q n GLY 141 N 1.20 -0.18 3.78 0.00 0.00 -1.26 -0.20 105.19 108.52 3h2q n GLY 141 Ca 0.17 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 3h2q n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2q s SER 142 N -4.00 4.50 -0.44 1.61 1.04 -1.26 -4.59 113.70 110.56 3h2q s SER 142 Ca 0.00 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.78 3h2q s SER 142 Cb 0.00 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.85 3h2q s SER 142 CO 0.00 -2.00 0.58 -0.13 0.98 0.00 0.00 173.24 172.68 3h2q s ARG 143 N -5.02 3.21 0.08 4.02 0.52 -1.26 0.01 118.95 120.51 3h2q s ARG 143 Ca 0.61 -0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.20 3h2q s ARG 143 Cb -0.16 -3.97 -0.24 0.00 0.52 0.00 0.00 34.95 31.10 3h2q s ARG 143 CO 0.55 -0.99 1.16 -0.07 0.02 0.00 0.00 175.30 175.97 3h2q h LEU 144 N 9.52 0.58 -7.00 2.53 3.38 -1.31 -3.46 115.31 119.55 3h2q h LEU 144 Ca -0.26 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 3h2q h LEU 144 Cb 1.10 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 3h2q h LEU 144 CO 0.87 1.41 0.25 0.00 0.09 0.00 0.00 178.44 181.06 3h2q s ALA 145 N -2.86 -1.68 0.25 1.53 0.00 -1.18 -4.05 121.76 113.76 3h2q s ALA 145 Ca -0.06 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 3h2q s ALA 145 Cb 0.07 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.77 3h2q s ALA 145 CO 0.90 -0.64 0.66 0.00 0.00 0.00 0.00 175.76 176.67 3h2q s GLY 147 N -2.89 -0.51 0.13 0.00 0.00 -0.85 -1.22 107.32 101.98 3h2q s GLY 147 Ca 0.10 1.02 -0.30 0.00 0.00 0.00 0.00 44.72 45.53 3h2q s GLY 147 CO 0.02 0.68 1.05 0.14 0.00 0.00 0.00 173.10 174.99 3h2q s VAL 148 N -1.66 4.19 -0.25 1.40 1.01 -1.26 -1.37 120.40 122.46 3h2q s VAL 148 Ca -0.09 1.81 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 3h2q s VAL 148 Cb -0.01 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3h2q s VAL 148 CO 0.05 0.28 1.09 -0.63 0.00 0.00 0.00 175.10 175.88 3h2q s ILE 149 N 0.02 4.57 0.19 2.22 1.01 0.14 -4.48 121.20 124.87 3h2q s ILE 149 Ca 0.49 1.87 0.08 0.00 0.00 0.00 0.00 60.65 63.09 3h2q s ILE 149 Cb -0.26 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 3h2q s ILE 149 CO 0.32 -0.26 0.00 -0.83 0.00 0.00 0.00 174.94 174.17 3h2q s GLY 150 N 1.46 1.70 0.17 6.18 0.00 0.41 -0.82 107.32 116.42 3h2q s GLY 150 Ca 0.46 -1.43 -0.32 0.00 0.00 0.00 0.00 44.72 43.44 3h2q s GLY 150 CO 0.10 -1.45 1.64 -0.42 0.00 0.00 0.00 173.10 172.97 3h2q s ILE 151 N -1.85 2.46 0.19 0.90 1.01 -1.26 -0.72 121.20 121.94 3h2q s ILE 151 Ca 0.28 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.31 3h2q s ILE 151 Cb -0.09 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3h2q s ILE 151 CO 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 174.94 175.10 3h2q s ALA 152 N 1.37 3.06 -2.00 9.38 0.00 -0.54 -4.77 121.76 128.25 3h2q s ALA 152 Ca 0.72 -1.47 0.16 0.00 0.00 0.00 0.00 51.96 51.38 3h2q s ALA 152 Cb -0.45 -0.82 0.97 0.00 0.00 0.00 0.00 23.12 22.82 3h2q s ALA 152 CO 0.32 0.44 1.38 0.94 0.00 0.00 0.00 175.76 178.84