#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y20 s LEU 6 N 0.00 4.46 -0.44 6.15 1.02 -0.35 -4.80 118.68 124.72 1y20 s LEU 6 Ca 0.00 2.51 -0.21 0.00 0.02 0.00 0.00 54.13 56.45 1y20 s LEU 6 Cb 0.00 -3.63 0.03 0.00 0.02 0.00 0.00 46.19 42.60 1y20 s LEU 6 CO 0.00 -0.44 0.65 -0.54 0.02 0.00 0.00 176.35 176.05 1y20 s LYS 7 N -1.26 3.28 -0.16 1.70 1.02 -1.26 -1.36 119.74 121.69 1y20 s LYS 7 Ca 0.50 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 55.98 1y20 s LYS 7 Cb -0.37 -3.96 -0.05 0.00 -0.52 0.00 0.00 37.83 32.94 1y20 s LYS 7 CO 0.46 -1.03 0.29 0.42 -0.92 0.00 0.00 175.35 174.58 1y20 s ILE 8 N 2.85 5.30 -0.04 2.17 -1.09 -0.12 0.66 121.20 130.94 1y20 s ILE 8 Ca 0.23 0.55 0.02 0.00 -2.23 0.00 0.00 60.65 59.22 1y20 s ILE 8 Cb -0.14 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1y20 s ILE 8 CO 0.19 0.39 -0.09 0.54 -1.23 0.00 0.00 174.94 174.74 1y20 s VAL 9 N 0.46 3.47 0.03 2.92 0.11 -0.52 -1.35 120.40 125.53 1y20 s VAL 9 Ca 0.17 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1y20 s VAL 9 Cb -0.13 -2.43 -0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1y20 s VAL 9 CO 0.04 0.53 0.03 1.07 -3.33 0.00 0.00 175.10 173.44 1y20 n THR 10 N 2.04 0.00 -3.74 5.04 5.66 -0.53 -2.10 114.28 120.65 1y20 n THR 10 Ca -0.17 -0.20 -0.13 0.00 -3.05 0.00 0.00 64.05 60.51 1y20 n THR 10 Cb 0.53 0.10 -0.08 0.00 -1.55 0.00 0.00 70.33 69.33 1y20 n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1y20 s ILE 11 N -2.22 0.06 0.04 1.09 2.07 -1.26 -1.37 121.20 119.61 1y20 s ILE 11 Ca 0.03 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.44 1y20 s ILE 11 Cb 0.00 -0.76 -0.07 0.00 0.13 0.00 0.00 42.46 41.76 1y20 s ILE 11 CO 0.02 -0.29 1.50 -2.28 -1.91 0.00 0.00 174.94 171.99 1y20 s HIS 12 N -1.80 2.70 -0.36 3.50 5.65 -1.26 -4.61 115.29 119.11 1y20 s HIS 12 Ca -0.10 0.62 -0.02 0.00 0.25 0.00 0.00 55.06 55.81 1y20 s HIS 12 Cb -0.03 -3.79 0.18 0.00 -1.18 0.00 0.00 32.58 27.76 1y20 s HIS 12 CO 0.02 -3.03 0.87 -1.14 -0.65 0.00 0.00 174.74 170.81 1y20 s GLN 13 N 2.42 0.44 0.41 2.88 2.00 -0.02 -4.93 119.66 122.86 1y20 s GLN 13 Ca 0.68 -0.14 -0.26 0.00 -2.00 0.00 0.00 55.36 53.64 1y20 s GLN 13 Cb -0.35 0.05 -0.09 0.00 0.80 0.00 0.00 33.01 33.43 1y20 s GLN 13 CO 0.29 -0.64 1.26 -1.21 -0.50 0.00 0.00 175.29 174.49 1y20 s GLU 14 N 1.92 3.98 -0.01 1.67 2.02 -1.21 -0.58 118.70 126.48 1y20 s GLU 14 Ca 0.15 2.06 0.12 0.00 0.02 0.00 0.00 54.97 57.32 1y20 s GLU 14 Cb 0.00 -2.73 0.37 0.00 0.10 0.00 0.00 34.13 31.88 1y20 s GLU 14 CO -0.12 -0.45 1.30 -0.35 0.02 0.00 0.00 175.26 175.66 1y20 n PRO 15 N 0.10 2.05 0.11 0.39 -0.04 -1.26 -4.82 135.00 131.53 1y20 n PRO 15 Ca 0.04 -1.51 -0.23 0.00 -0.04 0.00 0.00 63.50 61.76 1y20 n PRO 15 Cb 0.44 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1y20 n PRO 15 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1y20 h PHE 16 N 2.40 0.98 -2.69 0.54 -1.00 -1.19 -2.49 116.94 113.50 1y20 h PHE 16 Ca 0.00 -0.66 -0.33 0.00 2.81 0.00 0.00 57.97 59.79 1y20 h PHE 16 Cb 0.61 -0.06 -0.36 0.00 3.61 0.00 0.00 35.95 39.75 1y20 h PHE 16 CO 0.30 1.50 -0.64 0.08 -1.61 0.00 0.00 178.31 177.94 1y20 s VAL 17 N -2.83 -0.29 0.07 -0.55 1.01 -0.05 -0.95 120.40 116.82 1y20 s VAL 17 Ca -0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1y20 s VAL 17 Cb 0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1y20 s VAL 17 CO 0.94 -0.15 0.40 -0.31 0.00 0.00 0.00 175.10 175.98 1y20 s TYR 18 N 2.30 3.59 -0.09 5.22 1.51 0.15 -0.84 117.35 129.19 1y20 s TYR 18 Ca 0.05 0.80 -0.00 0.00 -1.01 0.00 0.00 57.07 56.91 1y20 s TYR 18 Cb -0.15 -2.16 0.02 0.00 -0.11 0.00 0.00 41.96 39.56 1y20 s TYR 18 CO -0.11 0.53 -0.06 0.08 -1.11 0.00 0.00 175.55 174.88 1y20 s VAL 19 N -1.38 0.87 0.09 0.71 1.01 -1.26 -2.39 120.40 118.05 1y20 s VAL 19 Ca 0.32 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1y20 s VAL 19 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1y20 s VAL 19 CO 0.18 0.33 -0.07 -0.54 0.00 0.00 0.00 175.10 175.00 1y20 s LYS 20 N 1.52 0.77 0.63 2.72 -0.14 0.20 -4.97 119.74 120.49 1y20 s LYS 20 Ca 0.00 -1.20 -0.15 0.00 -1.36 0.00 0.00 55.97 53.26 1y20 s LYS 20 Cb -0.13 -0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 35.74 1y20 s LYS 20 CO -0.05 0.01 1.10 -2.14 -0.76 0.00 0.00 175.35 173.51 1y20 s PRO 21 N -3.24 2.96 0.80 -1.68 0.02 -1.26 -0.10 135.00 132.51 1y20 s PRO 21 Ca 0.07 1.37 -0.12 0.00 0.02 0.00 0.00 61.00 62.33 1y20 s PRO 21 Cb 0.01 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.63 1y20 s PRO 21 CO -0.03 -1.12 1.11 0.95 -0.33 0.00 0.00 177.00 177.58 1y20 s THR 22 N -2.32 2.86 1.02 0.99 -4.23 -1.26 -4.62 115.64 108.07 1y20 s THR 22 Ca 0.67 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 61.30 1y20 s THR 22 Cb -0.20 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.76 1y20 s THR 22 CO 0.39 -0.36 1.19 -0.04 -0.54 0.00 0.00 174.62 175.26 1y20 s MET 23 N -5.25 0.25 0.44 3.99 -1.94 0.11 -4.86 119.30 112.03 1y20 s MET 23 Ca 0.61 -0.06 0.15 0.00 -1.71 0.00 0.00 55.69 54.68 1y20 s MET 23 Cb -0.14 -1.77 1.06 0.00 2.01 0.00 0.00 34.83 36.00 1y20 s MET 23 CO 0.53 -2.73 1.96 0.77 -0.01 0.00 0.00 175.02 175.54 1y20 h SER 24 N -1.88 0.35 -0.10 3.03 0.02 -1.96 -1.03 113.55 111.98 1y20 h SER 24 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1y20 h SER 24 Cb 1.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1y20 h SER 24 CO 0.45 0.20 0.00 -0.90 -1.14 0.00 0.00 176.83 175.44 1y20 n ASP 25 N -4.47 1.05 0.00 3.07 5.68 -1.26 -4.91 116.55 115.72 1y20 n ASP 25 Ca 0.12 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1y20 n ASP 25 Cb 0.45 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1y20 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y20 n GLY 26 N 1.01 1.02 3.98 6.12 0.00 -0.39 -5.06 105.19 111.87 1y20 n GLY 26 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1y20 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y20 s THR 27 N -2.61 2.31 -0.13 2.61 -4.23 -1.26 -4.70 115.64 107.63 1y20 s THR 27 Ca 0.00 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1y20 s THR 27 Cb 0.00 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 1y20 s THR 27 CO 0.00 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.10 1y20 n LYS 29 N 2.83 1.40 -2.61 0.00 4.81 -1.26 -4.90 118.16 118.44 1y20 n LYS 29 Ca -0.18 0.50 -0.43 0.00 -0.87 0.00 0.00 58.31 57.33 1y20 n LYS 29 Cb 0.53 -1.97 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 1y20 n LYS 29 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1y20 s GLU 30 N -0.86 4.23 0.20 1.64 2.02 -1.26 -5.01 118.70 119.66 1y20 s GLU 30 Ca 0.66 1.39 0.02 0.00 0.02 0.00 0.00 54.97 57.07 1y20 s GLU 30 Cb -0.75 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 29.75 1y20 s GLU 30 CO 0.55 -0.68 0.01 -1.21 0.02 0.00 0.00 175.26 173.95 1y20 s GLU 31 N 3.32 1.22 0.04 1.61 2.02 -1.26 -5.07 118.70 120.58 1y20 s GLU 31 Ca 0.47 -1.61 0.04 0.00 0.02 0.00 0.00 54.97 53.89 1y20 s GLU 31 Cb -0.16 -0.36 -0.02 0.00 0.10 0.00 0.00 34.13 33.69 1y20 s GLU 31 CO 0.09 -0.15 -0.12 -0.06 0.02 0.00 0.00 175.26 175.04 1y20 s PHE 32 N -3.61 1.05 0.83 1.61 0.40 -1.26 -0.90 117.98 116.10 1y20 s PHE 32 Ca 0.27 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 56.08 1y20 s PHE 32 Cb 0.06 -0.62 0.20 0.00 0.51 0.00 0.00 43.02 43.17 1y20 s PHE 32 CO 0.07 0.01 0.89 0.25 0.70 0.00 0.00 175.22 177.14 1y20 n THR 33 N 1.77 0.00 0.30 0.64 -2.24 0.71 -4.84 114.28 110.63 1y20 n THR 33 Ca -0.19 -0.52 0.17 0.00 -2.27 0.00 0.00 64.05 61.24 1y20 n THR 33 Cb 0.55 -1.38 0.74 0.00 -2.10 0.00 0.00 70.33 68.14 1y20 n THR 33 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1y20 h VAL 34 N -2.05 0.00 -0.00 2.28 3.04 -1.89 -1.87 116.25 115.76 1y20 h VAL 34 Ca -0.31 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1y20 h VAL 34 Cb 0.91 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1y20 h VAL 34 CO 0.21 0.00 -0.49 0.59 -1.01 0.00 0.00 177.57 176.87 1y20 n ASN 35 N -2.90 0.75 0.00 3.17 3.02 -1.26 -4.94 115.26 113.10 1y20 n ASN 35 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1y20 n ASN 35 Cb 0.24 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1y20 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y20 n GLY 36 N 1.46 0.70 3.86 7.41 0.00 -0.70 -5.07 105.19 112.84 1y20 n GLY 36 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1y20 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y20 s ASP 37 N -2.73 6.58 0.33 1.61 1.01 -1.26 -4.73 116.67 117.48 1y20 s ASP 37 Ca 0.00 1.26 -0.29 0.00 0.71 0.00 0.00 52.55 54.24 1y20 s ASP 37 Cb 0.00 -2.38 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 1y20 s ASP 37 CO 0.00 -0.43 1.33 -2.84 0.21 0.00 0.00 175.17 173.45 1y20 s PRO 38 N -3.81 4.33 -0.11 8.23 0.02 -1.26 -0.21 135.00 142.18 1y20 s PRO 38 Ca 0.54 2.26 -0.30 0.00 0.02 0.00 0.00 61.00 63.52 1y20 s PRO 38 Cb -0.10 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1y20 s PRO 38 CO 0.30 -0.24 1.13 0.08 -0.33 0.00 0.00 177.00 177.94 1y20 s VAL 39 N -1.07 4.47 -0.03 3.83 1.01 -0.08 -4.73 120.40 123.80 1y20 s VAL 39 Ca 0.50 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.95 1y20 s VAL 39 Cb -0.41 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1y20 s VAL 39 CO 0.53 -0.05 1.16 -0.54 0.00 0.00 0.00 175.10 176.20 1y20 s LYS 40 N 2.53 4.40 -0.03 2.72 1.02 -1.26 -4.76 119.74 124.36 1y20 s LYS 40 Ca 0.52 1.64 0.05 0.00 0.02 0.00 0.00 55.97 58.20 1y20 s LYS 40 Cb -0.21 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 1y20 s LYS 40 CO 0.17 -0.35 -0.19 0.15 -0.92 0.00 0.00 175.35 174.21 1y20 s LYS 41 N 1.82 1.71 0.17 1.68 1.02 -1.26 -4.57 119.74 120.30 1y20 s LYS 41 Ca 0.55 -0.67 0.11 0.00 0.02 0.00 0.00 55.97 55.98 1y20 s LYS 41 Cb -0.25 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 1y20 s LYS 41 CO 0.24 0.35 -0.24 0.14 -0.92 0.00 0.00 175.35 174.92 1y20 s VAL 42 N -0.26 2.27 0.02 3.17 -7.23 -0.24 -4.95 120.40 113.19 1y20 s VAL 42 Ca 0.03 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 1y20 s VAL 42 Cb -0.09 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1y20 s VAL 42 CO 0.01 -0.08 0.93 -0.63 -0.31 0.00 0.00 175.10 175.02 1y20 s ILE 43 N -1.53 4.79 -0.10 -0.62 -1.09 -1.26 -0.71 121.20 120.67 1y20 s ILE 43 Ca 0.18 1.98 -0.01 0.00 -2.23 0.00 0.00 60.65 60.57 1y20 s ILE 43 Cb -0.08 -4.28 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1y20 s ILE 43 CO 0.08 0.22 -0.04 0.00 -1.23 0.00 0.00 174.94 173.98 1y20 s THR 45 N 1.82 4.55 0.00 0.00 -4.23 -0.97 -0.84 115.64 115.98 1y20 s THR 45 Ca 0.04 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 1y20 s THR 45 Cb -0.13 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1y20 s THR 45 CO -0.07 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1y20 n GLY 46 N 0.60 -0.12 3.75 3.99 0.00 -0.82 -0.28 105.19 112.30 1y20 n GLY 46 Ca -0.01 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1y20 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y20 n PRO 47 N -0.28 2.52 0.00 1.61 -0.04 -1.26 -1.52 135.00 136.03 1y20 n PRO 47 Ca 0.00 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1y20 n PRO 47 Cb 0.00 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1y20 n PRO 47 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y20 n ASN 48 N 0.69 0.00 -4.61 3.54 3.02 -0.13 -4.88 115.26 112.89 1y20 n ASN 48 Ca 0.03 0.21 -0.34 0.00 -0.03 0.00 0.00 54.58 54.45 1y20 n ASN 48 Cb 0.38 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 1y20 n ASN 48 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1y20 s ASP 49 N -2.54 5.38 -0.11 6.41 -4.77 -1.26 -4.98 116.67 114.80 1y20 s ASP 49 Ca 0.00 0.04 0.14 0.00 -3.30 0.00 0.00 52.55 49.43 1y20 s ASP 49 Cb 0.00 -1.86 0.42 0.00 -1.09 0.00 0.00 42.92 40.39 1y20 s ASP 49 CO 0.00 0.21 1.33 0.35 0.70 0.00 0.00 175.17 177.76 1y20 n THR 50 N 3.31 1.77 -2.05 2.11 -2.24 -1.26 -4.68 114.28 111.24 1y20 n THR 50 Ca -0.17 -1.55 -0.42 0.00 -2.27 0.00 0.00 64.05 59.63 1y20 n THR 50 Cb 0.53 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1y20 n THR 50 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y20 s SER 51 N -1.61 6.70 0.11 3.42 1.04 -1.26 -4.93 113.70 117.18 1y20 s SER 51 Ca 0.33 2.28 -0.32 0.00 0.48 0.00 0.00 55.95 58.72 1y20 s SER 51 Cb 0.25 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.70 1y20 s SER 51 CO 0.11 -0.85 1.77 -0.81 0.98 0.00 0.00 173.24 174.44 1y20 n PRO 52 N 6.05 2.55 0.00 4.02 -0.04 -1.26 -2.46 135.00 143.87 1y20 n PRO 52 Ca 0.15 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1y20 n PRO 52 Cb 0.42 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1y20 n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y20 n GLY 53 N 4.03 1.82 3.61 0.55 0.00 -1.26 -5.10 105.19 108.84 1y20 n GLY 53 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1y20 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y20 s SER 54 N -1.84 4.59 0.31 1.61 1.04 -1.03 -5.10 113.70 113.28 1y20 s SER 54 Ca 0.00 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 55.82 1y20 s SER 54 Cb 0.00 -0.95 -0.11 0.00 0.10 0.00 0.00 66.02 65.07 1y20 s SER 54 CO 0.00 0.18 1.44 -2.16 0.98 0.00 0.00 173.24 173.67 1y20 s PRO 55 N -2.23 4.23 0.28 4.02 0.04 -1.26 -4.88 135.00 135.20 1y20 s PRO 55 Ca 0.23 2.38 -0.26 0.00 0.04 0.00 0.00 61.00 63.39 1y20 s PRO 55 Cb -0.11 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 1y20 s PRO 55 CO 0.15 -0.41 0.91 -0.98 0.04 0.00 0.00 177.00 176.71 1y20 s ARG 56 N -1.20 4.61 -0.07 4.56 3.03 -1.26 -4.88 118.95 123.74 1y20 s ARG 56 Ca 0.55 1.31 -0.06 0.00 2.03 0.00 0.00 55.73 59.56 1y20 s ARG 56 Cb -0.43 -2.95 0.02 0.00 -1.03 0.00 0.00 34.95 30.56 1y20 s ARG 56 CO 0.51 0.37 0.19 -1.01 -1.13 0.00 0.00 175.30 174.23 1y20 s HIS 57 N -1.48 -0.21 -0.22 5.89 3.76 -1.26 -5.06 115.29 116.72 1y20 s HIS 57 Ca 0.46 0.53 -0.07 0.00 -0.15 0.00 0.00 55.06 55.83 1y20 s HIS 57 Cb -0.20 0.05 -0.03 0.00 1.11 0.00 0.00 32.58 33.51 1y20 s HIS 57 CO 0.26 -0.12 0.05 0.99 -0.85 0.00 0.00 174.74 175.06 1y20 s THR 58 N 0.32 4.35 0.07 1.30 2.01 -1.26 -0.95 115.64 121.47 1y20 s THR 58 Ca -0.02 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 1y20 s THR 58 Cb -0.03 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1y20 s THR 58 CO -0.01 0.40 0.03 0.68 -0.69 0.00 0.00 174.62 175.03 1y20 s VAL 59 N 1.08 0.19 0.19 3.82 -7.23 -0.58 -4.85 120.40 113.03 1y20 s VAL 59 Ca 0.04 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1y20 s VAL 59 Cb -0.14 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.17 1y20 s VAL 59 CO 0.03 -0.86 1.33 -2.84 -0.31 0.00 0.00 175.10 172.45 1y20 s PRO 60 N -3.92 4.37 0.31 4.82 0.02 -1.26 -1.95 135.00 137.39 1y20 s PRO 60 Ca 0.08 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1y20 s PRO 60 Cb 0.07 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1y20 s PRO 60 CO -0.09 -0.29 0.13 -0.65 -0.33 0.00 0.00 177.00 175.77 1y20 s GLN 61 N 0.02 1.61 -0.19 5.54 -0.21 -0.02 -4.45 119.66 121.95 1y20 s GLN 61 Ca 0.58 -1.91 -0.07 0.00 0.02 0.00 0.00 55.36 53.97 1y20 s GLN 61 Cb -0.37 -0.32 -0.04 0.00 1.00 0.00 0.00 33.01 33.28 1y20 s GLN 61 CO 0.38 -0.38 0.06 0.00 -2.12 0.00 0.00 175.29 173.22 1y20 s TYR 64 N -0.72 -0.22 -3.29 0.00 -0.85 -1.01 -1.08 117.35 110.18 1y20 s TYR 64 Ca 0.10 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 1y20 s TYR 64 Cb -0.09 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.91 1y20 s TYR 64 CO 0.01 -1.03 0.00 0.41 -1.52 0.00 0.00 175.55 173.42 1y20 n GLY 65 N -0.44 0.88 0.22 5.49 0.00 -1.26 0.32 105.19 110.40 1y20 n GLY 65 Ca -0.06 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 1y20 n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1y20 h PHE 66 N 0.00 -0.36 0.00 1.61 3.57 -1.13 -0.88 116.94 119.76 1y20 h PHE 66 Ca 0.00 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1y20 h PHE 66 Cb 0.00 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1y20 h PHE 66 CO 0.00 -0.25 -0.44 0.00 -2.23 0.00 0.00 178.31 175.40 1y20 h ILE 68 N 0.00 1.28 -0.89 0.00 1.08 -1.45 0.10 117.51 117.63 1y20 h ILE 68 Ca -0.00 -1.92 -0.02 0.00 -0.39 0.00 0.00 64.86 62.53 1y20 h ILE 68 Cb 0.89 1.95 -0.04 0.00 -3.07 0.00 0.00 36.82 36.54 1y20 h ILE 68 CO 0.06 0.61 0.49 0.44 -0.69 0.00 0.00 178.15 179.05 1y20 h ASP 69 N 0.53 1.12 -0.47 1.72 3.32 -1.03 -0.66 116.42 120.94 1y20 h ASP 69 Ca -0.04 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1y20 h ASP 69 Cb 1.35 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1y20 h ASP 69 CO 0.15 0.90 0.12 0.25 -1.72 0.00 0.00 179.24 178.94 1y20 h LEU 70 N 1.25 0.71 -0.34 1.55 5.85 -1.11 -1.78 115.31 121.44 1y20 h LEU 70 Ca 0.31 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1y20 h LEU 70 Cb 0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1y20 h LEU 70 CO -0.05 0.76 0.15 0.25 -0.34 0.00 0.00 178.44 179.21 1y20 h LEU 71 N 0.63 0.20 -0.96 2.25 5.85 -0.51 0.05 115.31 122.83 1y20 h LEU 71 Ca 0.15 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1y20 h LEU 71 Cb 0.32 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1y20 h LEU 71 CO 0.00 0.16 0.63 0.40 -0.34 0.00 0.00 178.44 179.29 1y20 h ILE 72 N 0.32 1.21 -0.36 4.05 2.04 -0.93 -0.04 117.51 123.80 1y20 h ILE 72 Ca 0.15 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1y20 h ILE 72 Cb 0.08 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1y20 h ILE 72 CO -0.12 0.23 0.01 0.50 0.00 0.00 0.00 178.15 178.77 1y20 h LYS 73 N 1.26 0.62 -0.19 2.37 1.63 -0.80 -2.10 116.57 119.36 1y20 h LYS 73 Ca 0.36 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1y20 h LYS 73 Cb -0.08 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1y20 h LYS 73 CO -0.10 0.72 0.11 -0.07 -3.45 0.00 0.00 179.45 176.67 1y20 h LEU 74 N 0.44 0.23 -1.03 5.20 3.38 -0.53 -0.99 115.31 122.00 1y20 h LEU 74 Ca 0.10 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1y20 h LEU 74 Cb 0.44 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1y20 h LEU 74 CO 0.02 0.23 0.65 0.00 0.09 0.00 0.00 178.44 179.43 1y20 h ALA 75 N 1.01 1.31 0.05 1.53 0.00 -0.95 0.37 119.26 122.57 1y20 h ALA 75 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y20 h ALA 75 Cb 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1y20 h ALA 75 CO -0.01 0.62 -0.02 0.07 0.00 0.00 0.00 179.25 179.91 1y20 h ARG 76 N 1.31 -0.06 -0.84 0.00 -0.00 -1.20 -0.18 114.38 113.42 1y20 h ARG 76 Ca 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 60.38 1y20 h ARG 76 Cb -0.11 0.01 -0.05 0.00 -0.00 0.00 0.00 29.97 29.83 1y20 h ARG 76 CO -0.09 0.36 0.55 1.15 -0.00 0.00 0.00 179.97 181.94 1y20 h THR 77 N -0.50 1.17 -0.48 0.08 2.02 -0.95 -2.60 112.91 111.66 1y20 h THR 77 Ca -0.01 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1y20 h THR 77 Cb 0.45 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1y20 h THR 77 CO 0.01 0.20 0.00 0.23 0.37 0.00 0.00 175.52 176.33 1y20 n MET 78 N -4.53 2.37 -3.74 6.66 2.00 0.10 -4.98 117.12 115.00 1y20 n MET 78 Ca 0.10 -2.10 -0.22 0.00 0.00 0.00 0.00 57.70 55.48 1y20 n MET 78 Cb 0.05 -1.48 0.02 0.00 0.00 0.00 0.00 33.22 31.81 1y20 n MET 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1y20 n ASN 79 N 1.25 -1.08 -4.33 7.83 4.05 -0.23 -5.01 115.26 117.74 1y20 n ASN 79 Ca 0.20 -0.84 -0.22 0.00 0.45 0.00 0.00 54.58 54.16 1y20 n ASN 79 Cb 0.53 -3.92 -0.11 0.00 1.23 0.00 0.00 39.78 37.51 1y20 n ASN 79 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1y20 s PHE 80 N -3.70 1.82 0.28 1.20 -0.12 -0.30 -5.04 117.98 112.11 1y20 s PHE 80 Ca 0.01 -0.46 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 1y20 s PHE 80 Cb -0.01 -0.92 -0.03 0.00 -0.63 0.00 0.00 43.02 41.44 1y20 s PHE 80 CO 0.82 0.31 0.41 0.95 -0.05 0.00 0.00 175.22 177.66 1y20 s THR 81 N -1.91 4.96 0.26 -4.49 -4.23 -1.26 -4.67 115.64 104.30 1y20 s THR 81 Ca 0.14 -0.93 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 1y20 s THR 81 Cb -0.06 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1y20 s THR 81 CO 0.06 -0.32 0.64 -0.72 -0.54 0.00 0.00 174.62 173.75 1y20 s TYR 82 N -2.07 -0.09 -0.03 3.99 -0.85 -1.26 -1.21 117.35 115.83 1y20 s TYR 82 Ca 0.37 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.60 1y20 s TYR 82 Cb -0.09 0.56 0.03 0.00 0.38 0.00 0.00 41.96 42.84 1y20 s TYR 82 CO 0.30 -1.13 0.06 -1.83 -1.52 0.00 0.00 175.55 171.43 1y20 s GLU 83 N -3.92 -0.00 -0.10 -3.49 -1.05 -0.47 -4.87 118.70 104.80 1y20 s GLU 83 Ca 0.12 0.23 -0.04 0.00 -0.15 0.00 0.00 54.97 55.14 1y20 s GLU 83 Cb -0.04 -0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.40 1y20 s GLU 83 CO 0.05 -0.16 0.05 0.08 0.95 0.00 0.00 175.26 176.23 1y20 s VAL 84 N 1.05 4.73 0.04 1.83 1.01 -1.26 -0.95 120.40 126.85 1y20 s VAL 84 Ca -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1y20 s VAL 84 Cb -0.12 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1y20 s VAL 84 CO -0.04 0.61 0.02 -1.38 0.00 0.00 0.00 175.10 174.31 1y20 s HIS 85 N -0.91 0.32 0.02 5.22 -3.43 -0.45 -2.29 115.29 113.77 1y20 s HIS 85 Ca 0.14 -0.69 -0.20 0.00 -0.80 0.00 0.00 55.06 53.50 1y20 s HIS 85 Cb -0.12 -0.23 -0.06 0.00 -1.43 0.00 0.00 32.58 30.74 1y20 s HIS 85 CO 0.03 -0.32 0.59 -0.51 -2.00 0.00 0.00 174.74 172.53 1y20 s LEU 86 N -2.18 4.46 -0.01 5.38 1.43 0.61 -1.45 118.68 126.93 1y20 s LEU 86 Ca -0.05 1.20 -0.37 0.00 -1.03 0.00 0.00 54.13 53.88 1y20 s LEU 86 Cb -0.01 -2.92 -0.16 0.00 0.03 0.00 0.00 46.19 43.13 1y20 s LEU 86 CO -0.05 0.16 1.50 0.55 0.23 0.00 0.00 176.35 178.74 1y20 n VAL 87 N 2.37 0.11 -0.29 -1.59 3.14 -0.47 -4.68 118.33 116.92 1y20 n VAL 87 Ca -0.08 -0.02 -0.01 0.00 -2.96 0.00 0.00 64.34 61.28 1y20 n VAL 87 Cb 0.51 -1.05 0.12 0.00 -1.06 0.00 0.00 33.84 32.36 1y20 n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y20 h ALA 88 N 5.62 1.09 -0.11 1.55 0.00 -1.93 -2.15 119.26 123.32 1y20 h ALA 88 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1y20 h ALA 88 Cb 1.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1y20 h ALA 88 CO 0.84 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.93 1y20 n ASP 89 N -4.65 1.36 -0.27 0.00 5.68 -1.26 -4.87 116.55 112.54 1y20 n ASP 89 Ca 0.11 -1.60 -0.04 0.00 -0.50 0.00 0.00 54.79 52.76 1y20 n ASP 89 Cb 0.15 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 40.05 1y20 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y20 n GLY 90 N 1.09 0.51 3.74 6.12 0.00 -0.81 -4.96 105.19 110.88 1y20 n GLY 90 Ca 0.17 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1y20 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y20 s LYS 91 N -1.75 2.56 -0.10 1.61 -0.14 -1.26 -4.91 119.74 115.74 1y20 s LYS 91 Ca 0.00 -1.31 -0.17 0.00 -1.36 0.00 0.00 55.97 53.13 1y20 s LYS 91 Cb 0.00 -2.33 -0.14 0.00 -1.68 0.00 0.00 37.83 33.69 1y20 s LYS 91 CO 0.00 0.30 0.54 0.74 -0.76 0.00 0.00 175.35 176.18 1y20 h PHE 92 N 1.63 -0.08 0.00 3.18 -1.00 -1.85 -2.29 116.94 116.53 1y20 h PHE 92 Ca -0.46 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1y20 h PHE 92 Cb 1.25 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.83 1y20 h PHE 92 CO 0.62 0.39 0.00 0.41 -1.61 0.00 0.00 178.31 178.12 1y20 n GLY 93 N 1.31 3.44 3.26 -1.45 0.00 -0.39 -1.48 105.19 109.88 1y20 n GLY 93 Ca -0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1y20 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y20 s THR 94 N 0.00 0.70 -0.20 2.61 -4.23 -1.25 -4.66 115.64 108.61 1y20 s THR 94 Ca 0.00 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 1y20 s THR 94 Cb 0.00 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1y20 s THR 94 CO 0.00 -0.39 0.08 -1.58 -0.54 0.00 0.00 174.62 172.19 1y20 s GLN 95 N -3.93 3.96 0.06 3.99 0.74 -1.26 -1.67 119.66 121.56 1y20 s GLN 95 Ca 0.26 -0.34 -0.02 0.00 0.05 0.00 0.00 55.36 55.31 1y20 s GLN 95 Cb 0.06 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 1y20 s GLN 95 CO 0.06 0.17 0.02 -1.21 -0.55 0.00 0.00 175.29 173.78 1y20 s GLU 96 N 0.67 0.68 0.34 1.67 2.02 -0.64 -4.95 118.70 118.49 1y20 s GLU 96 Ca 0.04 -1.20 -0.27 0.00 0.02 0.00 0.00 54.97 53.56 1y20 s GLU 96 Cb -0.13 0.24 -0.09 0.00 0.10 0.00 0.00 34.13 34.24 1y20 s GLU 96 CO 0.01 -0.15 1.19 1.03 0.02 0.00 0.00 175.26 177.36 1y20 s ARG 97 N -3.92 4.32 0.31 1.61 0.52 -1.26 -1.25 118.95 119.27 1y20 s ARG 97 Ca 0.08 1.93 0.09 0.00 -0.52 0.00 0.00 55.73 57.32 1y20 s ARG 97 Cb 0.07 -2.94 -0.06 0.00 0.52 0.00 0.00 34.95 32.55 1y20 s ARG 97 CO -0.09 -0.12 -0.11 0.14 0.02 0.00 0.00 175.30 175.14 1y20 s VAL 98 N -1.27 2.11 -1.38 3.52 -7.23 -0.13 -4.79 120.40 111.23 1y20 s VAL 98 Ca 0.51 -2.23 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 1y20 s VAL 98 Cb -0.34 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.20 1y20 s VAL 98 CO 0.43 -0.29 0.59 -3.20 -0.31 0.00 0.00 175.10 172.32 1y20 n ASN 99 N -0.68 -3.87 -4.00 4.85 5.15 -1.26 -1.08 115.26 114.37 1y20 n ASN 99 Ca -0.05 -0.51 -0.31 0.00 -0.60 0.00 0.00 54.58 53.10 1y20 n ASN 99 Cb 0.63 -3.18 0.01 0.00 -0.53 0.00 0.00 39.78 36.70 1y20 n ASN 99 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1y20 n ASN 100 N -2.41 -3.94 -2.05 1.20 4.13 -1.26 -4.95 115.26 105.98 1y20 n ASN 100 Ca 0.00 -0.86 -0.06 0.00 1.68 0.00 0.00 54.58 55.34 1y20 n ASN 100 Cb 0.53 -3.52 -0.02 0.00 -1.54 0.00 0.00 39.78 35.24 1y20 n ASN 100 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1y20 n SER 101 N -2.80 1.08 -1.11 6.41 3.41 -0.24 -5.04 113.62 115.33 1y20 n SER 101 Ca 0.02 -1.50 0.12 0.00 -0.26 0.00 0.00 58.87 57.25 1y20 n SER 101 Cb 0.53 0.23 0.20 0.00 -0.26 0.00 0.00 64.21 64.91 1y20 n SER 101 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y20 n ASN 102 N -1.89 3.34 -4.71 4.04 5.03 -1.26 -4.32 115.26 115.49 1y20 n ASN 102 Ca -0.02 -1.99 -0.42 0.00 0.87 0.00 0.00 54.58 53.03 1y20 n ASN 102 Cb 0.14 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 38.67 1y20 n ASN 102 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1y20 s LYS 103 N -1.60 4.44 -0.09 3.52 2.20 -1.26 -4.92 119.74 122.03 1y20 s LYS 103 Ca 0.37 1.76 -0.01 0.00 -0.36 0.00 0.00 55.97 57.72 1y20 s LYS 103 Cb 0.22 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1y20 s LYS 103 CO 0.31 -0.24 -0.01 0.15 -0.36 0.00 0.00 175.35 175.21 1y20 s LYS 104 N 0.99 2.97 0.03 4.03 1.02 -1.26 -0.96 119.74 126.57 1y20 s LYS 104 Ca 0.58 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 56.10 1y20 s LYS 104 Cb -0.29 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1y20 s LYS 104 CO 0.29 0.68 0.04 -1.21 -0.92 0.00 0.00 175.35 174.23 1y20 s GLU 105 N -0.82 0.49 0.12 1.68 2.02 -0.38 -4.95 118.70 116.86 1y20 s GLU 105 Ca 0.12 -0.75 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 1y20 s GLU 105 Cb -0.11 0.18 -0.07 0.00 0.10 0.00 0.00 34.13 34.23 1y20 s GLU 105 CO 0.02 -0.10 0.55 -1.58 0.02 0.00 0.00 175.26 174.17 1y20 s TRP 106 N -2.32 3.66 0.22 1.61 0.52 -1.26 -1.61 118.94 119.75 1y20 s TRP 106 Ca -0.08 1.11 0.03 0.00 0.02 0.00 0.00 56.10 57.19 1y20 s TRP 106 Cb -0.03 -2.40 0.03 0.00 -1.15 0.00 0.00 33.47 29.92 1y20 s TRP 106 CO -0.04 0.47 0.26 0.27 0.02 0.00 0.00 176.95 177.94 1y20 n ASN 107 N 1.05 1.03 0.00 2.95 2.04 -0.67 -3.68 115.26 117.99 1y20 n ASN 107 Ca -0.07 -1.62 0.00 0.00 -0.44 0.00 0.00 54.58 52.45 1y20 n ASN 107 Cb 0.52 -0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.64 1y20 n ASN 107 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1y20 n GLY 108 N 2.36 0.97 0.26 4.83 0.00 -1.26 -1.53 105.19 110.82 1y20 n GLY 108 Ca 0.04 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1y20 n GLY 108 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1y20 h MET 109 N 0.00 0.40 -0.14 1.61 2.86 -0.65 -2.37 114.93 116.64 1y20 h MET 109 Ca 0.00 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1y20 h MET 109 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1y20 h MET 109 CO 0.00 0.46 0.01 0.52 1.06 0.00 0.00 176.91 178.96 1y20 h MET 110 N 0.39 0.06 -0.74 1.72 2.07 -1.54 -0.99 114.93 115.90 1y20 h MET 110 Ca 0.08 -0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.71 1y20 h MET 110 Cb 0.31 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.99 1y20 h MET 110 CO 0.01 0.04 0.46 0.78 1.07 0.00 0.00 176.91 179.27 1y20 h GLY 111 N 0.06 1.06 1.52 8.32 0.00 -0.78 -1.79 103.07 111.46 1y20 h GLY 111 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1y20 h GLY 111 CO -0.10 0.42 -0.16 0.83 0.00 0.00 0.00 176.54 177.52 1y20 h GLU 112 N 1.01 0.57 -0.35 4.80 5.08 -1.16 -0.34 114.58 124.19 1y20 h GLU 112 Ca 0.27 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1y20 h GLU 112 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1y20 h GLU 112 CO -0.05 0.71 -0.13 1.25 -1.00 0.00 0.00 179.01 179.79 1y20 h LEU 113 N 0.52 0.71 -1.02 1.33 5.85 -0.87 -0.41 115.31 121.41 1y20 h LEU 113 Ca 0.09 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.32 1y20 h LEU 113 Cb 0.58 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1y20 h LEU 113 CO 0.04 0.94 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.54 1y20 h LEU 114 N 0.48 0.06 0.00 2.25 3.38 -1.11 -3.06 115.31 117.31 1y20 h LEU 114 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y20 h LEU 114 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1y20 h LEU 114 CO 0.04 0.51 -0.29 0.77 0.09 0.00 0.00 178.44 179.56 1y20 h SER 115 N 0.04 0.00 0.00 -0.43 4.64 -0.99 -3.47 113.55 113.34 1y20 h SER 115 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1y20 h SER 115 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1y20 h SER 115 CO 0.06 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1y20 n GLY 116 N 1.17 0.41 0.30 -0.77 0.00 -0.83 -4.92 105.19 100.55 1y20 n GLY 116 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.24 1y20 n GLY 116 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1y20 h GLN 117 N 4.20 0.00 -4.29 1.61 4.20 -1.39 -3.42 115.11 116.03 1y20 h GLN 117 Ca 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1y20 h GLN 117 Cb 0.00 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.58 1y20 h GLN 117 CO 0.00 0.01 -0.71 0.00 -0.67 0.00 0.00 178.83 177.46 1y20 s ALA 118 N -3.92 0.39 -0.03 3.87 0.00 -0.58 -4.90 121.76 116.59 1y20 s ALA 118 Ca -0.02 -0.75 0.15 0.00 0.00 0.00 0.00 51.96 51.34 1y20 s ALA 118 Cb 0.11 0.11 -0.23 0.00 0.00 0.00 0.00 23.12 23.12 1y20 s ALA 118 CO 0.49 -0.12 0.31 -0.25 0.00 0.00 0.00 175.76 176.19 1y20 n ASP 119 N 1.35 1.64 -3.68 0.00 8.00 0.21 -4.36 116.55 119.71 1y20 n ASP 119 Ca -0.22 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.14 1y20 n ASP 119 Cb 0.56 1.63 -0.08 0.00 -0.02 0.00 0.00 41.12 43.20 1y20 n ASP 119 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1y20 s MET 120 N -2.99 0.67 -0.24 -1.24 1.75 -1.04 -4.47 119.30 111.75 1y20 s MET 120 Ca -0.05 0.74 -0.09 0.00 -1.25 0.00 0.00 55.69 55.04 1y20 s MET 120 Cb 0.09 0.33 -0.04 0.00 2.84 0.00 0.00 34.83 38.05 1y20 s MET 120 CO 0.61 -0.09 0.11 0.42 -0.65 0.00 0.00 175.02 175.41 1y20 s ILE 121 N 0.20 4.78 -0.35 10.11 1.01 0.00 -1.44 121.20 135.51 1y20 s ILE 121 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1y20 s ILE 121 Cb -0.04 -3.23 0.11 0.00 0.01 0.00 0.00 42.46 39.31 1y20 s ILE 121 CO 0.01 0.35 0.10 -0.69 0.00 0.00 0.00 174.94 174.71 1y20 s VAL 122 N 1.28 1.68 0.20 2.92 1.01 -0.89 -1.88 120.40 124.72 1y20 s VAL 122 Ca 0.06 -2.08 -0.22 0.00 0.00 0.00 0.00 61.98 59.74 1y20 s VAL 122 Cb -0.14 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.07 1y20 s VAL 122 CO 0.05 -0.67 1.00 0.00 0.00 0.00 0.00 175.10 175.47 1y20 s ALA 123 N 1.03 -1.50 -1.43 5.51 0.00 -1.26 -4.51 121.76 119.60 1y20 s ALA 123 Ca 0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 1y20 s ALA 123 Cb -0.19 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1y20 s ALA 123 CO -0.13 -1.05 2.16 -0.35 0.00 0.00 0.00 175.76 176.39 1y20 n PRO 124 N -0.64 2.92 -3.28 0.00 -0.04 -1.26 -4.69 135.00 128.00 1y20 n PRO 124 Ca -0.04 -2.71 -0.40 0.00 -0.04 0.00 0.00 63.50 60.30 1y20 n PRO 124 Cb 0.60 -3.30 -0.08 0.00 -0.04 0.00 0.00 33.50 30.67 1y20 n PRO 124 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1y20 s LEU 125 N 2.37 4.17 0.10 1.53 2.96 -1.26 -4.99 118.68 123.54 1y20 s LEU 125 Ca 0.48 0.24 -0.31 0.00 -0.22 0.00 0.00 54.13 54.31 1y20 s LEU 125 Cb 0.13 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.18 1y20 s LEU 125 CO -0.07 -0.33 1.31 -0.89 -1.32 0.00 0.00 176.35 175.05 1y20 s THR 126 N 2.27 3.58 -0.25 3.68 2.01 -1.26 -0.93 115.64 124.75 1y20 s THR 126 Ca 0.18 1.14 -0.28 0.00 0.31 0.00 0.00 61.69 63.05 1y20 s THR 126 Cb -0.16 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1y20 s THR 126 CO 0.11 0.09 0.98 -0.63 -0.69 0.00 0.00 174.62 174.48 1y20 s ILE 127 N 1.07 4.70 0.11 1.82 1.01 -0.36 -4.88 121.20 124.66 1y20 s ILE 127 Ca 0.62 1.83 -0.05 0.00 0.00 0.00 0.00 60.65 63.06 1y20 s ILE 127 Cb -0.34 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1y20 s ILE 127 CO 0.30 -0.19 0.12 0.54 0.00 0.00 0.00 174.94 175.70 1y20 s ASN 128 N 1.31 0.25 0.21 3.58 2.20 -1.26 -4.62 114.94 116.61 1y20 s ASN 128 Ca 0.41 -0.94 -0.10 0.00 -0.94 0.00 0.00 52.86 51.29 1y20 s ASN 128 Cb -0.15 0.31 0.16 0.00 -2.00 0.00 0.00 41.25 39.58 1y20 s ASN 128 CO 0.08 -0.73 1.88 0.78 -2.94 0.00 0.00 177.10 176.16 1y20 h ASN 129 N 2.84 0.84 -0.32 3.54 -0.26 -1.97 -0.76 115.58 119.48 1y20 h ASN 129 Ca -0.34 -0.02 0.05 0.00 -0.56 0.00 0.00 56.30 55.43 1y20 h ASN 129 Cb 1.19 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 38.20 1y20 h ASN 129 CO 0.58 0.60 0.04 -0.33 -1.06 0.00 0.00 177.43 177.26 1y20 h GLU 130 N 0.99 0.13 -0.11 0.81 3.07 -2.00 -2.56 114.58 114.91 1y20 h GLU 130 Ca 0.28 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.94 1y20 h GLU 130 Cb -0.10 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1y20 h GLU 130 CO -0.07 0.09 -0.70 0.00 -1.40 0.00 0.00 179.01 176.94 1y20 h ARG 131 N 0.14 0.50 0.00 2.33 3.08 -1.91 -3.13 114.38 115.40 1y20 h ARG 131 Ca 0.15 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1y20 h ARG 131 Cb 0.19 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1y20 h ARG 131 CO -0.23 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.69 1y20 h ALA 132 N 0.88 1.00 0.00 0.04 0.00 -0.75 -0.46 119.26 119.96 1y20 h ALA 132 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1y20 h ALA 132 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1y20 h ALA 132 CO 0.13 0.00 -0.19 1.96 0.00 0.00 0.00 179.25 181.14 1y20 h GLN 133 N 0.00 0.00 0.00 0.00 4.20 -1.41 -3.35 115.11 114.56 1y20 h GLN 133 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1y20 h GLN 133 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1y20 h GLN 133 CO 0.00 0.19 -1.58 0.66 -0.67 0.00 0.00 178.83 177.44 1y20 n TYR 134 N -3.26 0.00 -4.38 2.96 4.02 -0.28 -5.07 117.16 111.15 1y20 n TYR 134 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.69 1y20 n TYR 134 Cb 0.47 -0.37 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 1y20 n TYR 134 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1y20 s ILE 135 N -2.43 0.35 -0.00 -0.72 -4.36 -0.62 -4.27 121.20 109.15 1y20 s ILE 135 Ca -0.04 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 1y20 s ILE 135 Cb 0.04 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 1y20 s ILE 135 CO 0.40 0.00 -0.12 -1.61 0.24 0.00 0.00 174.94 173.86 1y20 s GLU 136 N -3.71 2.41 0.12 0.37 2.02 0.14 -4.41 118.70 115.65 1y20 s GLU 136 Ca 0.33 -0.78 0.09 0.00 0.02 0.00 0.00 54.97 54.63 1y20 s GLU 136 Cb 0.04 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1y20 s GLU 136 CO 0.19 0.59 -0.17 -0.06 0.02 0.00 0.00 175.26 175.83 1y20 s PHE 137 N -0.91 2.56 0.91 1.61 0.40 -1.26 -1.03 117.98 120.26 1y20 s PHE 137 Ca 0.15 -0.25 -0.15 0.00 -0.60 0.00 0.00 56.93 56.08 1y20 s PHE 137 Cb -0.11 -1.34 0.16 0.00 0.51 0.00 0.00 43.02 42.24 1y20 s PHE 137 CO 0.05 0.40 1.26 -1.54 0.70 0.00 0.00 175.22 176.10 1y20 s SER 138 N -2.22 3.56 0.82 1.36 1.04 -0.54 -4.95 113.70 112.77 1y20 s SER 138 Ca 0.19 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.99 1y20 s SER 138 Cb -0.10 -0.71 0.09 0.00 0.10 0.00 0.00 66.02 65.39 1y20 s SER 138 CO 0.11 -2.47 1.12 -0.54 0.98 0.00 0.00 173.24 172.44 1y20 s LYS 139 N -5.75 1.79 0.29 4.02 -0.14 -1.26 -4.59 119.74 114.11 1y20 s LYS 139 Ca 0.69 1.38 -0.30 0.00 -1.36 0.00 0.00 55.97 56.38 1y20 s LYS 139 Cb -0.07 -1.83 -0.12 0.00 -1.68 0.00 0.00 37.83 34.13 1y20 s LYS 139 CO 0.52 -2.02 1.54 -2.30 -0.76 0.00 0.00 175.35 172.32 1y20 n PRO 140 N -3.67 2.55 0.00 -1.68 -0.02 -1.26 -4.62 135.00 126.30 1y20 n PRO 140 Ca 0.11 0.90 0.11 0.00 -2.02 0.00 0.00 63.50 62.60 1y20 n PRO 140 Cb 0.52 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.37 1y20 n PRO 140 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1y20 n PHE 141 N 1.86 0.01 -3.71 6.00 1.16 0.51 -4.90 117.46 118.39 1y20 n PHE 141 Ca 0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.54 1y20 n PHE 141 Cb 0.36 -0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 38.02 1y20 n PHE 141 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1y20 s LYS 142 N -3.01 0.54 -0.18 3.97 2.20 -1.23 -5.00 119.74 117.02 1y20 s LYS 142 Ca 0.09 0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 56.31 1y20 s LYS 142 Cb 0.16 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1y20 s LYS 142 CO 0.81 -0.07 0.01 0.71 -0.36 0.00 0.00 175.35 176.45 1y20 s TYR 143 N 0.36 3.11 0.00 4.03 1.51 -1.26 -1.31 117.35 123.79 1y20 s TYR 143 Ca -0.01 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1y20 s TYR 143 Cb -0.04 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 1y20 s TYR 143 CO -0.01 -0.03 0.00 0.00 -1.11 0.00 0.00 175.55 174.40 1y20 n GLN 144 N 3.77 0.00 -0.54 -0.62 -0.00 0.53 -4.99 117.38 115.53 1y20 n GLN 144 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.83 1y20 n GLN 144 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.76 1y20 n GLN 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1y20 n GLY 145 N 0.00 0.91 3.73 2.61 0.00 -1.26 -0.91 105.19 110.27 1y20 n GLY 145 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1y20 n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y20 s LEU 146 N 0.00 3.70 0.00 0.99 1.43 -0.03 0.15 118.68 124.93 1y20 s LEU 146 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1y20 s LEU 146 Cb 0.00 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1y20 s LEU 146 CO 0.00 0.28 0.05 1.07 0.23 0.00 0.00 176.35 177.99 1y20 n THR 147 N 1.33 0.00 -4.60 5.49 5.66 -0.39 -1.29 114.28 120.47 1y20 n THR 147 Ca -0.14 -0.24 -0.23 0.00 -3.05 0.00 0.00 64.05 60.39 1y20 n THR 147 Cb 0.53 0.14 -0.16 0.00 -1.55 0.00 0.00 70.33 69.29 1y20 n THR 147 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1y20 s ILE 148 N -2.41 1.10 -0.17 1.09 1.01 -1.24 -2.03 121.20 118.55 1y20 s ILE 148 Ca 0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 1y20 s ILE 148 Cb -0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1y20 s ILE 148 CO 0.03 0.33 0.04 -0.22 0.00 0.00 0.00 174.94 175.11 1y20 s LEU 149 N 0.14 3.68 0.16 2.97 2.96 0.16 -1.05 118.68 127.70 1y20 s LEU 149 Ca -0.04 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1y20 s LEU 149 Cb -0.10 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1y20 s LEU 149 CO 0.01 0.19 0.10 0.68 -1.32 0.00 0.00 176.35 176.01 1y20 s VAL 150 N 0.29 0.05 0.33 1.68 -7.23 -0.43 -1.23 120.40 113.86 1y20 s VAL 150 Ca 0.02 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 57.98 1y20 s VAL 150 Cb -0.13 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1y20 s VAL 150 CO 0.01 -0.24 1.03 -0.75 -0.31 0.00 0.00 175.10 174.84 1y20 s LYS 151 N -4.10 4.46 0.14 4.82 2.47 -1.26 -1.42 119.74 124.84 1y20 s LYS 151 Ca 0.31 1.56 -0.35 0.00 -1.56 0.00 0.00 55.97 55.93 1y20 s LYS 151 Cb 0.07 -2.86 -0.15 0.00 -1.46 0.00 0.00 37.83 33.44 1y20 s LYS 151 CO 0.07 0.12 1.50 1.17 0.16 0.00 0.00 175.35 178.36 1y20 n LYS 152 N 0.58 1.83 0.00 4.03 4.81 0.52 -1.50 118.16 128.43 1y20 n LYS 152 Ca 0.02 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1y20 n LYS 152 Cb 0.48 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1y20 n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y20 n GLY 153 N 3.11 3.06 3.70 3.14 0.00 -1.26 -5.03 105.19 111.90 1y20 n GLY 153 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1y20 n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y20 s THR 154 N -2.67 4.20 -0.53 2.61 2.01 -0.56 -4.99 115.64 115.71 1y20 s THR 154 Ca 0.00 1.56 -0.17 0.00 0.31 0.00 0.00 61.69 63.40 1y20 s THR 154 Cb 0.00 -4.00 0.10 0.00 0.01 0.00 0.00 72.50 68.61 1y20 s THR 154 CO 0.00 0.08 0.53 -0.13 -0.69 0.00 0.00 174.62 174.41 1y20 s ARG 155 N 1.46 3.01 -0.04 4.92 1.81 -1.26 -4.93 118.95 123.92 1y20 s ARG 155 Ca 0.57 -1.46 0.02 0.00 -1.72 0.00 0.00 55.73 53.14 1y20 s ARG 155 Cb -0.27 -4.23 0.01 0.00 -0.45 0.00 0.00 34.95 30.01 1y20 s ARG 155 CO 0.27 -1.29 -0.10 0.42 -0.68 0.00 0.00 175.30 173.91 1y20 s ILE 156 N 1.94 0.93 0.08 1.52 -1.09 -1.26 -5.04 121.20 118.27 1y20 s ILE 156 Ca 0.06 -0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 1y20 s ILE 156 Cb -0.26 -0.84 -0.26 0.00 -1.58 0.00 0.00 42.46 39.52 1y20 s ILE 156 CO 0.05 0.29 1.17 0.71 -1.23 0.00 0.00 174.94 175.93 1y20 h THR 157 N 5.65 1.33 0.00 2.92 1.35 -1.95 -3.40 112.91 118.80 1y20 h THR 157 Ca -0.33 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1y20 h THR 157 Cb 1.17 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1y20 h THR 157 CO 0.48 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 1y20 n GLY 158 N 1.25 -0.52 0.26 5.82 0.00 -1.26 -3.39 105.19 107.36 1y20 n GLY 158 Ca -0.11 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 45.24 1y20 n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1y20 h ILE 159 N 0.00 0.00 -0.57 -0.61 6.09 -1.89 -2.44 117.51 118.09 1y20 h ILE 159 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1y20 h ILE 159 Cb 0.00 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1y20 h ILE 159 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1y20 n ASN 160 N -2.90 3.36 -4.76 2.19 3.02 -1.26 -4.60 115.26 110.31 1y20 n ASN 160 Ca -0.00 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 1y20 n ASN 160 Cb 0.22 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1y20 n ASN 160 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y20 s ASP 161 N -1.14 6.54 0.49 6.41 -1.08 -0.92 -4.75 116.67 122.22 1y20 s ASP 161 Ca 0.42 2.84 0.23 0.00 -0.52 0.00 0.00 52.55 55.51 1y20 s ASP 161 Cb 0.22 -2.64 1.29 0.00 -1.46 0.00 0.00 42.92 40.33 1y20 s ASP 161 CO 0.30 -0.76 1.95 -0.65 0.52 0.00 0.00 175.17 176.53 1y20 h PRO 162 N 4.09 0.15 0.00 4.34 0.11 -1.93 0.21 132.00 138.97 1y20 h PRO 162 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1y20 h PRO 162 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1y20 h PRO 162 CO 0.72 0.10 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 1y20 n ARG 163 N -4.40 0.01 -0.11 1.05 1.74 -1.26 -0.06 116.66 113.63 1y20 n ARG 163 Ca 0.13 0.23 -0.20 0.00 -0.77 0.00 0.00 57.85 57.24 1y20 n ARG 163 Cb 0.65 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 1y20 n ARG 163 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y20 n LEU 164 N -1.55 2.22 0.17 0.55 4.77 0.54 -4.27 117.00 119.44 1y20 n LEU 164 Ca 0.04 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1y20 n LEU 164 Cb 0.20 -0.71 0.29 0.00 -2.33 0.00 0.00 43.42 40.87 1y20 n LEU 164 CO 0.16 0.65 0.63 0.03 -1.33 0.00 0.00 177.39 177.52 1y20 h ARG 165 N -0.46 0.00 -2.20 3.23 2.47 -0.94 -3.29 114.38 113.19 1y20 h ARG 165 Ca -0.54 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 57.59 1y20 h ARG 165 Cb 1.61 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 29.52 1y20 h ARG 165 CO -0.23 0.47 -0.68 -1.71 0.56 0.00 0.00 179.97 178.38 1y20 n ASN 166 N -3.85 3.10 -4.76 7.04 4.05 0.91 -5.01 115.26 116.75 1y20 n ASN 166 Ca -0.01 -3.30 -0.39 0.00 0.45 0.00 0.00 54.58 51.32 1y20 n ASN 166 Cb 0.51 -0.67 0.03 0.00 1.23 0.00 0.00 39.78 40.88 1y20 n ASN 166 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1y20 s PRO 167 N -2.20 3.47 0.26 1.20 0.04 -1.24 -4.65 135.00 131.88 1y20 s PRO 167 Ca 0.38 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.62 1y20 s PRO 167 Cb 0.14 -2.49 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1y20 s PRO 167 CO -0.04 -0.95 0.47 -1.54 0.04 0.00 0.00 177.00 174.98 1y20 s SER 168 N -0.72 0.01 0.00 6.66 1.04 -1.26 -5.03 113.70 114.39 1y20 s SER 168 Ca 0.65 -1.01 0.23 0.00 0.48 0.00 0.00 55.95 56.31 1y20 s SER 168 Cb -0.42 0.59 1.34 0.00 0.10 0.00 0.00 66.02 67.63 1y20 s SER 168 CO 0.52 -1.15 1.75 -0.90 0.98 0.00 0.00 173.24 174.44 1y20 n ASP 169 N -0.49 0.00 0.14 7.02 5.68 -1.26 -3.01 116.55 124.64 1y20 n ASP 169 Ca -0.01 -0.60 0.02 0.00 -0.50 0.00 0.00 54.79 53.70 1y20 n ASP 169 Cb 0.62 -0.05 0.02 0.00 -1.14 0.00 0.00 41.12 40.57 1y20 n ASP 169 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1y20 h LYS 170 N 0.00 0.00 -3.04 0.11 5.09 -2.00 -3.41 116.57 113.32 1y20 h LYS 170 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 60.22 1y20 h LYS 170 Cb 0.04 0.00 -0.40 0.00 0.10 0.00 0.00 32.23 31.96 1y20 h LYS 170 CO 0.00 0.50 -0.77 0.12 -2.09 0.00 0.00 179.45 177.22 1y20 s PHE 171 N -2.96 0.53 -0.14 0.07 5.36 -1.16 -5.09 117.98 114.58 1y20 s PHE 171 Ca 0.04 -0.82 -0.19 0.00 -0.96 0.00 0.00 56.93 55.00 1y20 s PHE 171 Cb 0.08 -0.95 -0.04 0.00 -0.34 0.00 0.00 43.02 41.76 1y20 s PHE 171 CO 0.75 -0.72 0.53 0.42 -1.46 0.00 0.00 175.22 174.74 1y20 s ILE 172 N 2.03 5.13 0.11 3.12 -1.09 -1.26 -4.52 121.20 124.70 1y20 s ILE 172 Ca 0.06 1.04 0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1y20 s ILE 172 Cb -0.16 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1y20 s ILE 172 CO -0.25 0.25 -0.10 -0.72 -1.23 0.00 0.00 174.94 172.90 1y20 s TYR 173 N 1.08 1.07 0.16 3.97 -0.85 -1.26 -0.55 117.35 120.97 1y20 s TYR 173 Ca 0.27 -0.71 -0.17 0.00 -0.52 0.00 0.00 57.07 55.95 1y20 s TYR 173 Cb -0.16 -0.58 0.06 0.00 0.38 0.00 0.00 41.96 41.66 1y20 s TYR 173 CO 0.11 -0.01 0.80 0.00 -1.52 0.00 0.00 175.55 174.94 1y20 n ALA 174 N 0.35 -2.07 -3.00 9.51 0.00 -0.70 -4.57 120.51 120.02 1y20 n ALA 174 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1y20 n ALA 174 Cb 0.59 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.51 1y20 n ALA 174 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1y20 n THR 175 N -0.56 0.00 -3.73 0.00 5.66 -1.26 -1.37 114.28 113.01 1y20 n THR 175 Ca -0.02 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.62 1y20 n THR 175 Cb 0.46 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 1y20 n THR 175 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1y20 s VAL 176 N -1.53 5.39 0.59 1.08 1.01 -1.26 -1.31 120.40 124.38 1y20 s VAL 176 Ca 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1y20 s VAL 176 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1y20 s VAL 176 CO 0.00 0.51 1.34 0.29 0.00 0.00 0.00 175.10 177.24 1y20 n LYS 177 N 2.77 1.44 -3.85 2.72 5.02 0.47 -3.69 118.16 123.05 1y20 n LYS 177 Ca -0.17 0.54 -0.24 0.00 -2.02 0.00 0.00 58.31 56.42 1y20 n LYS 177 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1y20 n LYS 177 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1y20 n GLN 178 N -1.43 -4.14 -4.65 1.97 6.02 -1.26 -4.74 117.38 109.15 1y20 n GLN 178 Ca 0.13 0.51 -0.30 0.00 -0.01 0.00 0.00 57.00 57.33 1y20 n GLN 178 Cb 0.46 -4.90 -0.07 0.00 1.02 0.00 0.00 30.24 26.75 1y20 n GLN 178 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1y20 s SER 179 N -4.26 3.50 0.59 1.08 1.04 -1.24 -1.26 113.70 113.15 1y20 s SER 179 Ca 0.08 -1.71 0.36 0.00 0.48 0.00 0.00 55.95 55.16 1y20 s SER 179 Cb -0.04 0.61 1.81 0.00 0.10 0.00 0.00 66.02 68.50 1y20 s SER 179 CO 0.85 -0.94 2.16 0.77 0.98 0.00 0.00 173.24 177.06 1y20 h SER 180 N 1.52 0.00 -0.53 7.02 4.64 -1.90 -2.30 113.55 121.99 1y20 h SER 180 Ca -0.39 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1y20 h SER 180 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1y20 h SER 180 CO 0.64 0.03 0.19 0.58 -0.87 0.00 0.00 176.83 177.40 1y20 h VAL 181 N 0.00 1.22 0.06 0.95 2.07 -1.96 -0.55 116.25 118.04 1y20 h VAL 181 Ca -0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1y20 h VAL 181 Cb 0.27 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1y20 h VAL 181 CO 0.00 0.28 -0.03 -0.78 0.02 0.00 0.00 177.57 177.07 1y20 h ASP 182 N 0.84 -0.07 -0.60 0.57 1.82 -1.71 -1.74 116.42 115.53 1y20 h ASP 182 Ca 0.19 -0.06 0.09 0.00 -0.39 0.00 0.00 57.03 56.86 1y20 h ASP 182 Cb 0.23 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.18 1y20 h ASP 182 CO -0.01 0.02 0.21 0.40 -1.61 0.00 0.00 179.24 178.25 1y20 h ILE 183 N -0.15 0.75 -0.20 2.25 2.04 -1.42 -2.18 117.51 118.61 1y20 h ILE 183 Ca -0.01 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1y20 h ILE 183 Cb 0.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1y20 h ILE 183 CO 0.01 0.07 0.06 1.88 0.00 0.00 0.00 178.15 180.17 1y20 h TYR 184 N 0.38 0.32 0.00 1.37 0.99 -0.91 -3.11 116.97 116.01 1y20 h TYR 184 Ca 0.30 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.00 1y20 h TYR 184 Cb 0.38 -0.09 -0.00 0.00 1.00 0.00 0.00 36.73 38.02 1y20 h TYR 184 CO -0.18 0.40 -0.02 0.74 -0.00 0.00 0.00 178.16 179.10 1y20 h PHE 185 N 0.15 0.00 -0.00 4.88 -1.00 -1.02 -2.40 116.94 117.55 1y20 h PHE 185 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1y20 h PHE 185 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1y20 h PHE 185 CO 0.00 0.02 -0.04 0.54 -1.61 0.00 0.00 178.31 177.22 1y20 n ARG 186 N -3.13 0.88 0.02 1.51 1.74 -0.85 -1.72 116.66 115.11 1y20 n ARG 186 Ca 0.00 -0.22 0.12 0.00 -0.77 0.00 0.00 57.85 56.98 1y20 n ARG 186 Cb 0.29 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.49 1y20 n ARG 186 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y20 n ARG 187 N -0.87 0.09 -4.79 5.56 1.74 -0.90 -4.85 116.66 112.63 1y20 n ARG 187 Ca 0.18 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 1y20 n ARG 187 Cb 0.23 -1.55 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 1y20 n ARG 187 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1y20 s GLN 188 N -3.05 1.45 0.17 5.56 -0.21 -1.22 -5.05 119.66 117.31 1y20 s GLN 188 Ca 0.10 -0.59 -0.15 0.00 0.02 0.00 0.00 55.36 54.74 1y20 s GLN 188 Cb 0.16 -1.36 0.10 0.00 1.00 0.00 0.00 33.01 32.92 1y20 s GLN 188 CO 0.69 0.32 1.76 -0.39 -2.12 0.00 0.00 175.29 175.55 1y20 h VAL 189 N 4.90 0.90 -0.24 1.09 -1.51 -1.89 0.20 116.25 119.70 1y20 h VAL 189 Ca -0.35 -0.12 -0.04 0.00 -1.23 0.00 0.00 66.70 64.96 1y20 h VAL 189 Cb 1.16 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1y20 h VAL 189 CO 0.48 0.06 -0.02 1.05 -1.23 0.00 0.00 177.57 177.92 1y20 h GLU 190 N 0.35 0.44 0.00 5.19 4.11 -1.96 -2.83 114.58 119.87 1y20 h GLU 190 Ca 0.19 -0.15 -0.05 0.00 0.07 0.00 0.00 59.36 59.42 1y20 h GLU 190 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1y20 h GLU 190 CO -0.18 0.63 -0.24 -0.07 0.07 0.00 0.00 179.01 179.23 1y20 h LEU 191 N 0.20 0.00 -0.66 3.06 3.38 -1.72 -2.31 115.31 117.27 1y20 h LEU 191 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1y20 h LEU 191 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1y20 h LEU 191 CO 0.02 0.24 0.26 0.28 0.09 0.00 0.00 178.44 179.32 1y20 h SER 192 N 0.00 0.91 0.10 -0.43 0.02 0.27 0.23 113.55 114.65 1y20 h SER 192 Ca -0.00 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1y20 h SER 192 Cb 0.49 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1y20 h SER 192 CO 0.03 0.84 -0.05 0.74 -1.14 0.00 0.00 176.83 177.25 1y20 h THR 193 N 0.93 0.98 -1.00 -2.27 2.02 -1.23 -1.68 112.91 110.67 1y20 h THR 193 Ca 0.22 -0.29 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1y20 h THR 193 Cb 0.22 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 1y20 h THR 193 CO -0.02 0.07 0.63 0.24 0.37 0.00 0.00 175.52 176.82 1y20 h MET 194 N -0.26 1.04 0.00 6.66 2.07 -1.10 0.20 114.93 123.53 1y20 h MET 194 Ca -0.01 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.49 1y20 h MET 194 Cb 0.22 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 29.70 1y20 h MET 194 CO 0.02 0.69 -0.29 -0.92 1.07 0.00 0.00 176.91 177.48 1y20 h TYR 195 N 1.07 0.00 -0.62 -0.22 3.20 -0.25 0.33 116.97 120.48 1y20 h TYR 195 Ca 0.46 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.24 1y20 h TYR 195 Cb 0.33 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1y20 h TYR 195 CO -0.01 0.29 0.02 0.00 -1.64 0.00 0.00 178.16 176.83 1y20 h ARG 196 N 0.00 1.08 -0.26 1.82 -0.00 -0.03 0.49 114.38 117.49 1y20 h ARG 196 Ca -0.00 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.98 59.10 1y20 h ARG 196 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.52 1y20 h ARG 196 CO 0.04 1.04 -0.03 1.25 0.00 0.00 0.00 179.97 182.27 1y20 h HIS 197 N 0.99 0.53 -0.61 3.04 -0.00 -0.68 -2.98 115.15 115.44 1y20 h HIS 197 Ca 0.18 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1y20 h HIS 197 Cb 0.53 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.78 1y20 h HIS 197 CO 0.04 0.66 0.25 0.52 -0.00 0.00 0.00 177.93 179.40 1y20 h MET 198 N 0.25 0.88 -1.04 5.26 2.07 -0.58 -2.59 114.93 119.17 1y20 h MET 198 Ca 0.07 -0.14 0.28 0.00 -2.07 0.00 0.00 59.70 57.84 1y20 h MET 198 Cb 0.47 -0.16 -0.07 0.00 -1.87 0.00 0.00 31.60 29.98 1y20 h MET 198 CO 0.02 0.72 0.71 0.93 1.07 0.00 0.00 176.91 180.36 1y20 h GLU 199 N 0.87 0.21 0.00 1.72 4.39 0.15 0.90 114.58 122.81 1y20 h GLU 199 Ca 0.21 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1y20 h GLU 199 Cb 0.16 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1y20 h GLU 199 CO -0.02 0.14 0.00 0.36 -1.16 0.00 0.00 179.01 178.33 1y20 n LYS 200 N -4.43 0.02 0.00 2.33 0.00 -0.98 -3.79 118.16 111.32 1y20 n LYS 200 Ca 0.24 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1y20 n LYS 200 Cb 0.98 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.51 1y20 n LYS 200 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1y20 n HIS 201 N -1.49 0.00 -1.68 5.58 8.25 0.28 -5.10 115.22 121.07 1y20 n HIS 201 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 1y20 n HIS 201 Cb 0.26 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.40 1y20 n HIS 201 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1y20 n ASN 202 N -0.16 1.90 -4.98 0.41 3.02 0.72 -4.79 115.26 111.38 1y20 n ASN 202 Ca 0.00 0.96 -0.20 0.00 -0.03 0.00 0.00 54.58 55.32 1y20 n ASN 202 Cb 0.09 -1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.78 1y20 n ASN 202 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1y20 s TYR 203 N -1.33 3.23 -0.12 3.10 1.51 -0.42 -4.81 117.35 118.50 1y20 s TYR 203 Ca 0.69 -0.14 0.14 0.00 -1.01 0.00 0.00 57.07 56.75 1y20 s TYR 203 Cb -0.46 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1y20 s TYR 203 CO 0.51 0.14 1.42 0.93 -1.11 0.00 0.00 175.55 177.44 1y20 h GLU 204 N 0.98 0.00 -3.50 -0.62 4.39 -1.93 0.14 114.58 114.03 1y20 h GLU 204 Ca -0.48 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 1y20 h GLU 204 Cb 1.25 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1y20 h GLU 204 CO 0.56 0.56 -0.30 -1.54 -1.16 0.00 0.00 179.01 177.13 1y20 s SER 205 N -6.49 -0.03 0.22 1.42 1.04 -1.26 -4.73 113.70 103.87 1y20 s SER 205 Ca 0.04 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.02 1y20 s SER 205 Cb 0.08 0.35 0.18 0.00 0.10 0.00 0.00 66.02 66.72 1y20 s SER 205 CO 0.76 -0.65 1.82 0.00 0.98 0.00 0.00 173.24 176.14 1y20 h ALA 206 N 3.08 1.07 -0.70 5.32 0.00 -1.91 -2.53 119.26 123.58 1y20 h ALA 206 Ca -0.33 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1y20 h ALA 206 Cb 1.20 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1y20 h ALA 206 CO 0.49 0.63 0.39 0.00 0.00 0.00 0.00 179.25 180.75 1y20 h ALA 207 N 1.22 0.96 -0.48 0.00 0.00 -1.96 0.48 119.26 119.47 1y20 h ALA 207 Ca 0.29 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1y20 h ALA 207 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1y20 h ALA 207 CO -0.04 0.05 -0.15 0.93 0.00 0.00 0.00 179.25 180.03 1y20 h GLU 208 N 0.69 0.92 -0.40 0.00 5.08 -1.91 -1.48 114.58 117.48 1y20 h GLU 208 Ca 0.32 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1y20 h GLU 208 Cb 0.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1y20 h GLU 208 CO -0.21 1.00 -0.08 0.00 -1.00 0.00 0.00 179.01 178.73 1y20 h ALA 209 N 1.01 0.55 -0.58 3.43 0.00 -0.97 -1.06 119.26 121.63 1y20 h ALA 209 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1y20 h ALA 209 Cb 0.70 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1y20 h ALA 209 CO 0.05 0.40 0.29 0.82 0.00 0.00 0.00 179.25 180.81 1y20 h ILE 210 N 0.57 1.20 -0.82 0.00 2.04 -0.83 -1.68 117.51 118.00 1y20 h ILE 210 Ca 0.10 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1y20 h ILE 210 Cb 0.59 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1y20 h ILE 210 CO 0.04 0.23 0.38 -0.61 0.00 0.00 0.00 178.15 178.19 1y20 h GLN 211 N 0.79 1.19 -0.61 2.37 5.75 -1.15 -2.17 115.11 121.28 1y20 h GLN 211 Ca 0.20 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1y20 h GLN 211 Cb 0.10 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1y20 h GLN 211 CO -0.03 0.92 0.40 0.00 -2.65 0.00 0.00 178.83 177.48 1y20 h ALA 212 N 1.24 1.58 -0.30 3.38 0.00 -0.51 0.13 119.26 124.78 1y20 h ALA 212 Ca 0.28 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1y20 h ALA 212 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1y20 h ALA 212 CO -0.03 0.39 -0.18 0.28 0.00 0.00 0.00 179.25 179.70 1y20 h VAL 213 N 0.82 1.30 -0.78 0.00 2.07 -0.73 0.17 116.25 119.09 1y20 h VAL 213 Ca 0.22 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1y20 h VAL 213 Cb -0.08 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1y20 h VAL 213 CO -0.05 0.42 0.46 0.03 0.02 0.00 0.00 177.57 178.45 1y20 h ARG 214 N 0.41 1.06 -0.11 1.57 3.08 -0.79 -2.16 114.38 117.44 1y20 h ARG 214 Ca 0.06 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1y20 h ARG 214 Cb 0.72 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1y20 h ARG 214 CO 0.05 0.75 0.00 -0.25 -1.07 0.00 0.00 179.97 179.45 1y20 n ASP 215 N -4.37 0.79 -2.00 7.04 8.00 -0.04 -4.90 116.55 121.07 1y20 n ASP 215 Ca 0.08 -1.74 -0.18 0.00 0.71 0.00 0.00 54.79 53.66 1y20 n ASP 215 Cb 0.07 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1y20 n ASP 215 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1y20 n ASN 216 N -0.18 -5.25 -0.01 -2.24 3.02 -0.81 -4.87 115.26 104.91 1y20 n ASN 216 Ca 0.11 0.03 0.10 0.00 -0.03 0.00 0.00 54.58 54.78 1y20 n ASN 216 Cb 0.16 -4.33 -0.16 0.00 -0.61 0.00 0.00 39.78 34.85 1y20 n ASN 216 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1y20 n LYS 217 N -2.71 0.63 -4.35 3.52 5.02 0.52 -4.86 118.16 115.92 1y20 n LYS 217 Ca -0.21 -0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 55.66 1y20 n LYS 217 Cb 0.66 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 34.01 1y20 n LYS 217 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1y20 s LEU 218 N -4.45 1.47 0.12 -0.35 2.96 -0.78 -4.96 118.68 112.69 1y20 s LEU 218 Ca -0.08 -0.26 0.13 0.00 -0.22 0.00 0.00 54.13 53.70 1y20 s LEU 218 Cb 0.13 -0.75 -0.11 0.00 0.50 0.00 0.00 46.19 45.96 1y20 s LEU 218 CO 0.85 -0.02 1.10 0.45 -1.32 0.00 0.00 176.35 177.41 1y20 h HIS 219 N 7.28 0.00 -2.62 5.38 3.86 -1.15 -3.33 115.15 124.57 1y20 h HIS 219 Ca -0.32 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.79 1y20 h HIS 219 Cb 1.17 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.39 1y20 h HIS 219 CO 0.49 0.73 -0.23 0.00 0.86 0.00 0.00 177.93 179.78 1y20 s ALA 220 N -2.83 -1.12 -0.20 2.45 0.00 -0.91 -4.45 121.76 114.70 1y20 s ALA 220 Ca -0.00 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1y20 s ALA 220 Cb 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.39 1y20 s ALA 220 CO 0.80 -0.24 -0.17 0.12 0.00 0.00 0.00 175.76 176.26 1y20 s PHE 221 N 0.81 2.91 -0.21 0.00 5.36 -0.37 -1.72 117.98 124.76 1y20 s PHE 221 Ca -0.05 -1.85 -0.20 0.00 -0.96 0.00 0.00 56.93 53.88 1y20 s PHE 221 Cb -0.05 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 1y20 s PHE 221 CO -0.06 -0.83 0.57 0.42 -1.46 0.00 0.00 175.22 173.86 1y20 s ILE 222 N 1.24 5.06 0.26 3.12 1.01 -0.47 -0.67 121.20 130.74 1y20 s ILE 222 Ca 0.01 1.06 -0.15 0.00 0.00 0.00 0.00 60.65 61.56 1y20 s ILE 222 Cb -0.15 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.48 1y20 s ILE 222 CO -0.10 0.13 0.76 1.87 0.00 0.00 0.00 174.94 177.60 1y20 n TRP 223 N 5.05 -1.78 -1.73 3.97 -0.00 -0.86 -4.51 117.44 117.59 1y20 n TRP 223 Ca -0.03 -1.37 -0.42 0.00 -0.00 0.00 0.00 57.50 55.68 1y20 n TRP 223 Cb 0.50 0.68 -0.03 0.00 -0.00 0.00 0.00 31.31 32.46 1y20 n TRP 223 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1y20 s ASP 224 N -2.90 6.38 0.35 5.87 1.01 -1.26 -1.27 116.67 124.86 1y20 s ASP 224 Ca 0.16 2.86 0.07 0.00 0.71 0.00 0.00 52.55 56.35 1y20 s ASP 224 Cb -0.03 -2.60 0.66 0.00 1.01 0.00 0.00 42.92 41.96 1y20 s ASP 224 CO 0.08 -0.98 1.86 0.77 0.21 0.00 0.00 175.17 177.11 1y20 h SER 225 N 6.99 0.31 -0.65 0.27 4.64 -0.60 0.84 113.55 125.35 1y20 h SER 225 Ca -0.43 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1y20 h SER 225 Cb 1.20 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1y20 h SER 225 CO 0.96 0.49 0.43 0.00 -0.87 0.00 0.00 176.83 177.84 1y20 h ALA 226 N 1.55 1.55 0.04 5.18 0.00 -1.91 0.30 119.26 125.96 1y20 h ALA 226 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1y20 h ALA 226 Cb 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1y20 h ALA 226 CO 0.03 0.42 -0.62 0.28 0.00 0.00 0.00 179.25 179.36 1y20 h VAL 227 N 0.87 1.45 -0.56 0.00 2.07 -1.76 -3.29 116.25 115.03 1y20 h VAL 227 Ca 0.24 -2.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.34 1y20 h VAL 227 Cb -0.09 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1y20 h VAL 227 CO -0.05 0.58 0.09 -0.07 0.02 0.00 0.00 177.57 178.13 1y20 h LEU 228 N -0.79 0.85 -0.94 2.57 3.38 -0.72 -0.60 115.31 119.07 1y20 h LEU 228 Ca -0.14 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1y20 h LEU 228 Cb 1.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1y20 h LEU 228 CO -0.01 0.86 -0.36 -0.33 0.09 0.00 0.00 178.44 178.69 1y20 h GLU 229 N 0.85 0.32 0.12 1.13 5.08 -1.12 0.71 114.58 121.67 1y20 h GLU 229 Ca 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1y20 h GLU 229 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1y20 h GLU 229 CO 0.01 0.64 -0.06 0.35 -1.00 0.00 0.00 179.01 178.95 1y20 h PHE 230 N 0.28 -0.15 -0.46 4.33 3.57 -1.51 -0.75 116.94 122.24 1y20 h PHE 230 Ca 0.03 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1y20 h PHE 230 Cb 0.77 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1y20 h PHE 230 CO 0.02 0.22 0.12 0.93 -2.23 0.00 0.00 178.31 177.37 1y20 h GLU 231 N -0.54 0.27 -0.19 1.11 4.39 -0.94 -1.48 114.58 117.19 1y20 h GLU 231 Ca -0.02 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1y20 h GLU 231 Cb 0.43 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1y20 h GLU 231 CO 0.03 0.18 -0.17 0.00 -1.16 0.00 0.00 179.01 177.88 1y20 h ALA 232 N 1.34 1.36 0.00 3.43 0.00 -0.85 -1.90 119.26 122.64 1y20 h ALA 232 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y20 h ALA 232 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1y20 h ALA 232 CO -0.27 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.08 1y20 h SER 233 N 0.30 0.00 0.14 0.00 4.64 -0.16 -3.15 113.55 115.32 1y20 h SER 233 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1y20 h SER 233 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1y20 h SER 233 CO 0.03 0.00 -1.39 0.00 -0.87 0.00 0.00 176.83 174.60 1y20 n GLN 234 N -3.03 0.35 -3.94 4.77 1.13 -0.67 -2.95 117.38 113.04 1y20 n GLN 234 Ca 0.02 -0.07 -0.30 0.00 -1.94 0.00 0.00 57.00 54.70 1y20 n GLN 234 Cb 0.38 -1.54 -0.16 0.00 0.11 0.00 0.00 30.24 29.03 1y20 n GLN 234 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1y20 s LYS 235 N -3.26 1.64 0.38 -1.09 1.02 -0.77 -1.67 119.74 115.99 1y20 s LYS 235 Ca 0.00 -1.01 0.26 0.00 0.02 0.00 0.00 55.97 55.25 1y20 s LYS 235 Cb 0.15 -2.60 1.35 0.00 -0.52 0.00 0.00 37.83 36.20 1y20 s LYS 235 CO 0.86 -0.60 1.80 0.00 -0.92 0.00 0.00 175.35 176.49 1y20 n ASP 237 N -2.43 1.04 -4.38 0.00 5.75 -1.26 -4.86 116.55 110.42 1y20 n ASP 237 Ca -0.01 -0.88 -0.32 0.00 -0.01 0.00 0.00 54.79 53.58 1y20 n ASP 237 Cb 0.09 0.18 -0.15 0.00 -1.03 0.00 0.00 41.12 40.21 1y20 n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1y20 s LEU 238 N -2.55 2.39 0.13 -2.12 1.43 -0.58 -0.36 118.68 117.01 1y20 s LEU 238 Ca 0.22 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1y20 s LEU 238 Cb 0.19 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1y20 s LEU 238 CO 0.54 0.31 0.00 0.68 0.23 0.00 0.00 176.35 178.12 1y20 s VAL 239 N -0.55 0.42 0.19 -1.59 -7.23 -0.51 -4.59 120.40 106.54 1y20 s VAL 239 Ca 0.08 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1y20 s VAL 239 Cb -0.11 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1y20 s VAL 239 CO 0.01 -0.62 0.11 0.42 -0.31 0.00 0.00 175.10 174.71 1y20 s THR 240 N -3.82 4.27 -0.01 5.32 -4.23 -1.26 -1.32 115.64 114.59 1y20 s THR 240 Ca 0.19 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 1y20 s THR 240 Cb 0.07 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1y20 s THR 240 CO -0.00 -0.17 0.27 0.28 -0.54 0.00 0.00 174.62 174.46 1y20 s THR 241 N -1.84 0.07 0.00 3.99 -1.32 -0.22 -4.95 115.64 111.37 1y20 s THR 241 Ca 0.31 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 1y20 s THR 241 Cb -0.09 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1y20 s THR 241 CO 0.22 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1y20 n GLY 242 N 1.26 -0.33 3.81 6.08 0.00 -1.22 -3.65 105.19 111.14 1y20 n GLY 242 Ca -0.22 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1y20 n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y20 s GLU 243 N -2.39 3.98 0.33 1.61 8.01 -1.26 -4.90 118.70 124.09 1y20 s GLU 243 Ca 0.00 1.22 -0.28 0.00 0.01 0.00 0.00 54.97 55.92 1y20 s GLU 243 Cb 0.00 -2.13 -0.09 0.00 -4.31 0.00 0.00 34.13 27.59 1y20 s GLU 243 CO 0.00 -0.26 1.18 -0.51 0.01 0.00 0.00 175.26 175.68 1y20 s LEU 244 N -3.43 4.41 0.17 1.80 1.02 -1.26 -4.76 118.68 116.62 1y20 s LEU 244 Ca 0.64 2.40 0.05 0.00 0.02 0.00 0.00 54.13 57.24 1y20 s LEU 244 Cb -0.13 -3.76 -0.05 0.00 0.02 0.00 0.00 46.19 42.28 1y20 s LEU 244 CO 0.18 -0.41 -0.09 0.72 0.02 0.00 0.00 176.35 176.77 1y20 s PHE 245 N -1.24 1.35 -1.25 0.29 -0.12 -0.41 -4.82 117.98 111.77 1y20 s PHE 245 Ca 0.50 -0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 56.58 1y20 s PHE 245 Cb -0.33 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.35 1y20 s PHE 245 CO 0.43 0.09 0.77 1.19 -0.05 0.00 0.00 175.22 177.65 1y20 n PHE 246 N -0.25 -2.01 -1.71 3.49 0.99 -1.26 -0.85 117.46 115.87 1y20 n PHE 246 Ca -0.09 0.82 -0.41 0.00 -0.00 0.00 0.00 57.45 57.77 1y20 n PHE 246 Cb 0.61 -4.40 0.01 0.00 -1.00 0.00 0.00 39.48 34.70 1y20 n PHE 246 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1y20 n ARG 247 N -4.14 2.08 -3.83 -1.08 1.74 -1.26 -3.83 116.66 106.33 1y20 n ARG 247 Ca -0.26 0.73 -0.07 0.00 -0.77 0.00 0.00 57.85 57.48 1y20 n ARG 247 Cb 0.66 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1y20 n ARG 247 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1y20 s SER 248 N -0.44 -0.14 0.27 0.55 1.04 -0.08 -4.92 113.70 109.98 1y20 s SER 248 Ca 0.59 -0.80 0.11 0.00 0.48 0.00 0.00 55.95 56.33 1y20 s SER 248 Cb -0.51 0.74 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1y20 s SER 248 CO 0.60 -1.42 -0.19 -0.83 0.98 0.00 0.00 173.24 172.38 1y20 s GLY 249 N -3.00 1.81 -0.13 7.32 0.00 -1.26 -0.34 107.32 111.71 1y20 s GLY 249 Ca 0.13 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.92 1y20 s GLY 249 CO 0.08 -1.93 0.17 -1.36 0.00 0.00 0.00 173.10 170.06 1y20 s PHE 250 N -2.60 3.57 0.15 1.90 2.99 -0.43 -1.22 117.98 122.34 1y20 s PHE 250 Ca 0.29 0.54 0.01 0.00 0.00 0.00 0.00 56.93 57.76 1y20 s PHE 250 Cb -0.04 -2.03 -0.04 0.00 0.00 0.00 0.00 43.02 40.91 1y20 s PHE 250 CO 0.13 0.62 0.02 0.20 -0.00 0.00 0.00 175.22 176.20 1y20 s GLY 251 N -0.71 1.11 0.23 4.36 0.00 -0.10 -0.36 107.32 111.85 1y20 s GLY 251 Ca 0.15 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 1y20 s GLY 251 CO 0.04 -1.46 0.97 -0.42 0.00 0.00 0.00 173.10 172.23 1y20 s ILE 252 N -3.81 4.03 -0.11 0.90 -1.09 -1.26 -4.37 121.20 115.49 1y20 s ILE 252 Ca 0.23 1.98 -0.03 0.00 -2.23 0.00 0.00 60.65 60.61 1y20 s ILE 252 Cb 0.07 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1y20 s ILE 252 CO 0.03 0.45 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.34 1y20 s GLY 253 N -0.93 1.81 0.06 6.18 0.00 -0.79 -1.46 107.32 112.19 1y20 s GLY 253 Ca 0.43 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 1y20 s GLY 253 CO 0.33 -0.37 0.00 1.06 0.00 0.00 0.00 173.10 174.12 1y20 s MET 254 N -0.40 0.67 0.79 2.90 -1.94 -0.20 -0.82 119.30 120.31 1y20 s MET 254 Ca 0.07 -1.21 -0.10 0.00 -1.71 0.00 0.00 55.69 52.73 1y20 s MET 254 Cb -0.12 0.23 0.07 0.00 2.01 0.00 0.00 34.83 37.02 1y20 s MET 254 CO 0.02 -0.14 1.10 1.03 -0.01 0.00 0.00 175.02 177.02 1y20 s ARG 255 N -3.93 2.07 0.33 2.03 0.52 -1.26 -0.69 118.95 118.03 1y20 s ARG 255 Ca 0.08 1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 56.25 1y20 s ARG 255 Cb 0.08 -1.87 -0.13 0.00 0.52 0.00 0.00 34.95 33.55 1y20 s ARG 255 CO -0.09 -1.79 1.12 1.63 0.02 0.00 0.00 175.30 176.19 1y20 n LYS 256 N -3.63 1.66 -2.87 3.54 4.76 -1.26 -2.06 118.16 118.30 1y20 n LYS 256 Ca 0.09 0.59 -0.20 0.00 -2.87 0.00 0.00 58.31 55.92 1y20 n LYS 256 Cb 0.53 -2.07 0.01 0.00 -1.84 0.00 0.00 35.03 31.65 1y20 n LYS 256 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1y20 n ASP 257 N 0.91 -4.98 -4.74 4.39 8.00 -1.26 -4.93 116.55 113.94 1y20 n ASP 257 Ca 0.08 -0.16 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 1y20 n ASP 257 Cb 0.35 -4.10 -0.04 0.00 -0.02 0.00 0.00 41.12 37.31 1y20 n ASP 257 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1y20 s SER 258 N -2.44 7.16 0.00 -2.24 0.15 -0.87 -4.91 113.70 110.55 1y20 s SER 258 Ca 0.21 2.17 0.18 0.00 0.70 0.00 0.00 55.95 59.20 1y20 s SER 258 Cb -0.10 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 62.50 1y20 s SER 258 CO 0.26 -0.31 1.53 -0.81 1.20 0.00 0.00 173.24 175.10 1y20 n PRO 259 N 2.46 0.26 0.09 5.44 -0.04 -1.26 -2.86 135.00 139.09 1y20 n PRO 259 Ca 0.04 0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1y20 n PRO 259 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1y20 n PRO 259 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1y20 h TRP 260 N 0.00 0.00 -0.47 0.54 6.55 -1.96 -3.41 115.95 117.19 1y20 h TRP 260 Ca 0.00 0.00 0.08 0.00 0.95 0.00 0.00 58.89 59.92 1y20 h TRP 260 Cb 0.16 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.37 1y20 h TRP 260 CO 0.00 0.27 -0.44 -0.22 -1.05 0.00 0.00 178.44 177.00 1y20 h LYS 261 N 0.00 -0.28 -0.12 0.49 3.64 -1.92 -0.74 116.57 117.63 1y20 h LYS 261 Ca -0.06 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1y20 h LYS 261 Cb 1.26 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1y20 h LYS 261 CO 0.02 -0.19 -0.12 0.37 -2.27 0.00 0.00 179.45 177.26 1y20 h GLN 262 N -0.29 -0.15 -0.11 1.90 5.75 -1.83 -1.14 115.11 119.25 1y20 h GLN 262 Ca 0.15 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 1y20 h GLN 262 Cb 0.58 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1y20 h GLN 262 CO -0.62 -0.10 -0.34 -0.91 -2.65 0.00 0.00 178.83 174.21 1y20 h ASN 263 N -0.15 0.21 -0.09 -0.69 2.35 -1.76 -0.65 115.58 114.80 1y20 h ASN 263 Ca 0.09 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1y20 h ASN 263 Cb 0.28 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1y20 h ASN 263 CO -0.22 0.55 -0.00 0.58 -1.65 0.00 0.00 177.43 176.69 1y20 h VAL 264 N 0.18 1.26 -0.44 2.81 2.07 -0.78 -1.27 116.25 120.07 1y20 h VAL 264 Ca 0.02 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1y20 h VAL 264 Cb 0.70 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1y20 h VAL 264 CO 0.05 0.23 0.19 0.28 0.02 0.00 0.00 177.57 178.35 1y20 h SER 265 N -0.12 0.56 -0.50 0.57 0.02 -1.05 -1.11 113.55 111.92 1y20 h SER 265 Ca 0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1y20 h SER 265 Cb 0.37 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1y20 h SER 265 CO 0.01 0.50 0.23 0.25 -1.14 0.00 0.00 176.83 176.67 1y20 h LEU 266 N 0.63 0.67 -0.53 5.07 5.85 -0.87 0.43 115.31 126.56 1y20 h LEU 266 Ca 0.16 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1y20 h LEU 266 Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1y20 h LEU 266 CO -0.02 0.63 0.16 -1.28 -0.34 0.00 0.00 178.44 177.59 1y20 h SER 267 N 0.67 0.77 -0.74 1.25 0.87 -0.63 -1.61 113.55 114.13 1y20 h SER 267 Ca 0.17 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1y20 h SER 267 Cb 0.15 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1y20 h SER 267 CO -0.02 0.78 0.35 0.40 -0.53 0.00 0.00 176.83 177.81 1y20 h ILE 268 N 0.73 1.24 -0.05 2.23 2.04 -0.92 -0.71 117.51 122.07 1y20 h ILE 268 Ca 0.17 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1y20 h ILE 268 Cb 0.29 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1y20 h ILE 268 CO -0.00 0.29 -0.02 0.25 0.00 0.00 0.00 178.15 178.67 1y20 h LEU 269 N 1.05 -0.06 -0.92 1.44 5.85 -0.65 -1.44 115.31 120.59 1y20 h LEU 269 Ca 0.25 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1y20 h LEU 269 Cb 0.13 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1y20 h LEU 269 CO -0.03 -0.02 0.59 0.11 -0.34 0.00 0.00 178.44 178.75 1y20 h LYS 270 N -0.01 1.12 0.00 1.25 1.79 -0.95 -1.25 116.57 118.52 1y20 h LYS 270 Ca 0.03 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1y20 h LYS 270 Cb 0.05 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1y20 h LYS 270 CO -0.06 0.74 -0.23 0.77 -1.08 0.00 0.00 179.45 179.59 1y20 h SER 271 N 1.15 0.00 1.01 0.86 0.02 -0.70 -0.54 113.55 115.35 1y20 h SER 271 Ca 0.37 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.18 1y20 h SER 271 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1y20 h SER 271 CO -0.12 0.23 -0.64 0.45 -1.14 0.00 0.00 176.83 175.61 1y20 h HIS 272 N 0.00 0.00 0.11 3.45 3.86 -0.31 -1.92 115.15 120.34 1y20 h HIS 272 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1y20 h HIS 272 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1y20 h HIS 272 CO 0.00 0.64 -1.35 0.93 0.86 0.00 0.00 177.93 179.01 1y20 h GLU 273 N 0.00 0.23 -0.66 2.45 5.08 -0.15 -3.39 114.58 118.13 1y20 h GLU 273 Ca -0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1y20 h GLU 273 Cb 1.32 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1y20 h GLU 273 CO 0.08 1.13 0.00 0.27 -1.00 0.00 0.00 179.01 179.49 1y20 n ASN 274 N -3.47 3.91 0.00 1.42 0.23 -0.32 -4.96 115.26 112.07 1y20 n ASN 274 Ca -0.11 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 1y20 n ASN 274 Cb 1.02 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 1y20 n ASN 274 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1y20 n GLY 275 N 1.38 1.25 0.07 4.83 0.00 -1.25 -4.95 105.19 106.52 1y20 n GLY 275 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1y20 n GLY 275 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1y20 h PHE 276 N 0.00 0.12 -0.71 1.61 3.57 -1.84 0.78 116.94 120.47 1y20 h PHE 276 Ca 0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1y20 h PHE 276 Cb 0.00 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1y20 h PHE 276 CO 0.00 0.16 0.27 1.98 -2.23 0.00 0.00 178.31 178.49 1y20 h MET 277 N 0.05 1.06 -0.56 1.11 4.05 -1.71 -1.51 114.93 117.42 1y20 h MET 277 Ca 0.03 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.20 1y20 h MET 277 Cb 0.08 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 1y20 h MET 277 CO -0.00 0.88 0.14 1.49 0.23 0.00 0.00 176.91 179.64 1y20 h GLU 278 N 1.01 0.86 -0.30 0.39 4.57 -1.75 -1.84 114.58 117.52 1y20 h GLU 278 Ca 0.23 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1y20 h GLU 278 Cb 0.22 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1y20 h GLU 278 CO -0.02 0.78 -0.14 -0.44 -1.18 0.00 0.00 179.01 178.00 1y20 h ASP 279 N 0.83 0.50 -0.46 1.04 3.45 -0.37 -1.85 116.42 119.56 1y20 h ASP 279 Ca 0.18 -0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.46 1y20 h ASP 279 Cb 0.30 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1y20 h ASP 279 CO -0.00 0.67 0.12 -0.07 -1.57 0.00 0.00 179.24 178.39 1y20 h LEU 280 N 0.47 0.74 -0.67 1.55 3.38 -0.49 -0.99 115.31 119.30 1y20 h LEU 280 Ca 0.08 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1y20 h LEU 280 Cb 0.53 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1y20 h LEU 280 CO 0.03 0.73 -0.04 0.44 0.09 0.00 0.00 178.44 179.69 1y20 h ASP 281 N 0.77 0.98 1.16 -0.43 3.32 -0.79 0.61 116.42 122.03 1y20 h ASP 281 Ca 0.17 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1y20 h ASP 281 Cb 0.29 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1y20 h ASP 281 CO -0.00 1.05 0.00 0.11 -1.72 0.00 0.00 179.24 178.68 1y20 h LYS 282 N 0.90 0.00 0.10 3.56 1.57 -0.86 0.88 116.57 122.71 1y20 h LYS 282 Ca 0.16 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.56 1y20 h LYS 282 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1y20 h LYS 282 CO 0.03 0.00 -2.10 2.41 -0.57 0.00 0.00 179.45 179.22 1y20 n THR 283 N -2.84 1.72 0.16 -0.16 -1.04 -0.42 -4.46 114.28 107.24 1y20 n THR 283 Ca 0.02 -0.64 0.05 0.00 -2.04 0.00 0.00 64.05 61.44 1y20 n THR 283 Cb 0.34 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.11 1y20 n THR 283 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1y20 n TRP 284 N -3.44 0.00 0.00 -1.42 7.02 0.17 -4.75 117.44 115.03 1y20 n TRP 284 Ca -0.35 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.10 1y20 n TRP 284 Cb 1.03 -0.15 -0.01 0.00 -2.42 0.00 0.00 31.31 29.77 1y20 n TRP 284 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1y20 n VAL 285 N -1.62 1.04 -3.78 -0.99 0.31 0.12 -4.81 118.33 108.60 1y20 n VAL 285 Ca -0.01 0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 64.19 1y20 n VAL 285 Cb 0.22 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 1y20 n VAL 285 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1y20 s ARG 286 N -2.18 2.09 0.00 5.55 0.52 -0.16 -4.82 118.95 119.94 1y20 s ARG 286 Ca -0.07 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 1y20 s ARG 286 Cb 0.02 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1y20 s ARG 286 CO 0.10 -1.09 0.00 2.48 0.02 0.00 0.00 175.30 176.81 1y20 n TYR 287 N 4.35 0.00 -3.82 -0.53 0.18 -1.26 -4.51 117.16 111.57 1y20 n TYR 287 Ca -0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1y20 n TYR 287 Cb 0.40 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.33 1y20 n TYR 287 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1y20 s GLN 288 N 0.00 1.54 0.72 -3.48 -2.07 -1.26 -5.12 119.66 110.00 1y20 s GLN 288 Ca 0.00 -0.97 -0.08 0.00 -1.82 0.00 0.00 55.36 52.49 1y20 s GLN 288 Cb 0.00 0.54 0.06 0.00 -1.09 0.00 0.00 33.01 32.52 1y20 s GLN 288 CO 0.00 -0.67 1.05 -1.21 -1.32 0.00 0.00 175.29 173.14 1y20 s GLU 289 N -3.91 2.20 0.27 9.60 0.41 -1.26 -4.90 118.70 121.10 1y20 s GLU 289 Ca 0.12 -0.14 -0.29 0.00 -0.41 0.00 0.00 54.97 54.25 1y20 s GLU 289 Cb -0.02 -2.12 -0.09 0.00 -1.78 0.00 0.00 34.13 30.11 1y20 s GLU 289 CO 0.02 -1.29 1.23 0.00 -0.49 0.00 0.00 175.26 174.73