#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a48 s GLY 9 N 0.00 1.50 0.51 7.39 0.00 -1.26 -4.96 107.32 110.50 2a48 s GLY 9 Ca 0.00 -0.96 0.19 0.00 0.00 0.00 0.00 44.72 43.94 2a48 s GLY 9 CO 0.00 -0.82 2.08 -0.55 0.00 0.00 0.00 173.10 173.81 2a48 h ASP 10 N 0.46 0.05 -3.40 1.64 5.19 -1.99 -3.40 116.42 114.98 2a48 h ASP 10 Ca -0.47 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.41 2a48 h ASP 10 Cb 1.24 -0.01 -0.34 0.00 0.18 0.00 0.00 39.33 40.40 2a48 h ASP 10 CO 0.59 0.04 -0.82 -1.81 -3.12 0.00 0.00 179.24 174.11 2a48 s ASP 11 N -6.68 1.92 0.12 6.45 1.11 -1.26 -4.08 116.67 114.24 2a48 s ASP 11 Ca -0.05 -0.32 0.06 0.00 0.18 0.00 0.00 52.55 52.41 2a48 s ASP 11 Cb 0.18 -0.88 -0.04 0.00 1.07 0.00 0.00 42.92 43.25 2a48 s ASP 11 CO 0.70 0.04 -0.15 -0.04 1.18 0.00 0.00 175.17 176.90 2a48 s MET 12 N 0.69 1.03 0.12 8.23 -1.94 0.76 -4.97 119.30 123.22 2a48 s MET 12 Ca -0.14 -1.21 0.05 0.00 -1.71 0.00 0.00 55.69 52.69 2a48 s MET 12 Cb -0.16 -0.99 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 2a48 s MET 12 CO 0.03 0.20 0.04 0.15 -0.01 0.00 0.00 175.02 175.44 2a48 s LYS 13 N -2.46 2.64 0.05 2.03 1.02 0.29 -0.51 119.74 122.79 2a48 s LYS 13 Ca 0.08 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.20 2a48 s LYS 13 Cb -0.06 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2a48 s LYS 13 CO 0.03 0.51 -0.08 -1.64 -0.92 0.00 0.00 175.35 173.26 2a48 s MET 14 N -2.64 0.55 -0.02 1.68 -1.94 -0.29 0.12 119.30 116.77 2a48 s MET 14 Ca 0.28 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.43 2a48 s MET 14 Cb -0.11 -0.28 0.00 0.00 2.01 0.00 0.00 34.83 36.46 2a48 s MET 14 CO 0.20 0.04 0.05 -0.08 -0.01 0.00 0.00 175.02 175.22 2a48 s THR 15 N -1.59 0.01 0.04 2.05 -1.32 -0.23 -2.00 115.64 112.61 2a48 s THR 15 Ca -0.08 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 2a48 s THR 15 Cb -0.09 -0.11 -0.02 0.00 -1.51 0.00 0.00 72.50 70.78 2a48 s THR 15 CO -0.00 -0.05 -0.08 -0.31 -2.21 0.00 0.00 174.62 171.96 2a48 s TYR 16 N -0.14 0.72 -0.09 9.09 1.51 0.22 -1.40 117.35 127.26 2a48 s TYR 16 Ca -0.02 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 2a48 s TYR 16 Cb -0.01 -0.43 0.05 0.00 -0.11 0.00 0.00 41.96 41.46 2a48 s TYR 16 CO 0.00 -0.06 0.17 -1.58 -1.11 0.00 0.00 175.55 172.97 2a48 s HIS 17 N -1.24 -0.21 -0.01 2.71 2.46 -0.65 -1.85 115.29 116.50 2a48 s HIS 17 Ca -0.08 0.64 0.06 0.00 0.47 0.00 0.00 55.06 56.15 2a48 s HIS 17 Cb -0.09 -0.20 -0.02 0.00 -0.13 0.00 0.00 32.58 32.15 2a48 s HIS 17 CO 0.01 -0.26 -0.19 1.41 -2.47 0.00 0.00 174.74 173.23 2a48 s MET 18 N 2.10 1.53 -0.25 2.88 0.00 0.58 -0.96 119.30 125.18 2a48 s MET 18 Ca 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 55.69 54.95 2a48 s MET 18 Cb -0.12 -1.50 0.02 0.00 0.00 0.00 0.00 34.83 33.23 2a48 s MET 18 CO -0.06 0.41 -0.05 -0.51 0.00 0.00 0.00 175.02 174.81 2a48 s ASP 19 N -0.55 4.37 0.21 1.11 1.01 0.22 -1.01 116.67 122.03 2a48 s ASP 19 Ca 0.07 -0.83 0.03 0.00 0.71 0.00 0.00 52.55 52.53 2a48 s ASP 19 Cb -0.08 -1.68 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 2a48 s ASP 19 CO -0.00 -0.13 0.00 -0.83 0.21 0.00 0.00 175.17 174.42 2a48 s GLY 20 N 1.35 1.44 -0.16 0.21 0.00 -0.01 -0.84 107.32 109.31 2a48 s GLY 20 Ca 0.01 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 42.94 2a48 s GLY 20 CO -0.04 -1.61 0.39 0.00 0.00 0.00 0.00 173.10 171.83 2a48 s VAL 22 N 1.63 0.15 -1.57 0.00 1.01 -0.41 -0.33 120.40 120.88 2a48 s VAL 22 Ca -0.08 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2a48 s VAL 22 Cb -0.09 -0.33 0.09 0.00 0.00 0.00 0.00 36.38 36.05 2a48 s VAL 22 CO -0.12 0.21 0.79 0.59 0.00 0.00 0.00 175.10 176.56 2a48 n ASN 23 N 4.99 -3.15 0.00 3.32 4.13 -0.09 0.05 115.26 124.51 2a48 n ASN 23 Ca -0.10 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.25 2a48 n ASN 23 Cb 0.50 -3.29 0.00 0.00 -1.54 0.00 0.00 39.78 35.45 2a48 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a48 n GLY 24 N -1.62 1.33 3.56 7.41 0.00 -1.26 -5.01 105.19 109.60 2a48 n GLY 24 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2a48 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a48 s HIS 25 N -3.60 3.19 0.32 1.61 3.76 0.11 -5.06 115.29 115.62 2a48 s HIS 25 Ca 0.00 0.17 -0.27 0.00 -0.15 0.00 0.00 55.06 54.81 2a48 s HIS 25 Cb 0.00 -2.85 -0.09 0.00 1.11 0.00 0.00 32.58 30.75 2a48 s HIS 25 CO 0.00 -0.49 1.01 -0.47 -0.85 0.00 0.00 174.74 173.94 2a48 s TYR 26 N 2.30 3.60 0.15 1.40 5.04 -1.26 -1.29 117.35 127.30 2a48 s TYR 26 Ca 0.17 1.75 -0.24 0.00 -2.44 0.00 0.00 57.07 56.31 2a48 s TYR 26 Cb -0.16 -3.09 0.06 0.00 0.35 0.00 0.00 41.96 39.13 2a48 s TYR 26 CO 0.13 -0.18 0.79 -0.59 -1.34 0.00 0.00 175.55 174.36 2a48 s PHE 27 N -1.42 -0.29 0.09 4.97 -0.12 -0.14 -1.11 117.98 119.95 2a48 s PHE 27 Ca 0.49 0.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.39 2a48 s PHE 27 Cb -0.24 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2a48 s PHE 27 CO 0.31 -0.88 -0.05 0.95 -0.05 0.00 0.00 175.22 175.50 2a48 s THR 28 N -3.53 0.59 0.00 -4.49 -4.23 -0.83 -0.83 115.64 102.31 2a48 s THR 28 Ca 0.08 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2a48 s THR 28 Cb -0.02 -1.69 -0.00 0.00 1.34 0.00 0.00 72.50 72.12 2a48 s THR 28 CO -0.03 -0.86 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.50 2a48 s VAL 29 N -3.70 0.05 0.04 2.29 1.01 -0.18 -0.54 120.40 119.37 2a48 s VAL 29 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2a48 s VAL 29 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.36 2a48 s VAL 29 CO -0.05 -0.02 -0.16 -0.54 0.00 0.00 0.00 175.10 174.33 2a48 s LYS 30 N -0.10 1.11 0.21 2.72 -0.14 -0.96 -0.31 119.74 122.27 2a48 s LYS 30 Ca -0.01 -0.80 -0.22 0.00 -1.36 0.00 0.00 55.97 53.58 2a48 s LYS 30 Cb -0.01 -1.15 0.05 0.00 -1.68 0.00 0.00 37.83 35.04 2a48 s LYS 30 CO -0.00 0.29 0.67 0.20 -0.76 0.00 0.00 175.35 175.75 2a48 s GLY 31 N -1.08 -0.37 -0.03 -3.33 0.00 -0.77 -1.07 107.32 100.67 2a48 s GLY 31 Ca 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 2a48 s GLY 31 CO 0.01 0.05 0.24 -0.54 0.00 0.00 0.00 173.10 172.86 2a48 s GLU 32 N -3.80 0.52 0.33 2.90 8.01 -0.69 -0.61 118.70 125.36 2a48 s GLU 32 Ca 0.06 -0.14 -0.17 0.00 0.01 0.00 0.00 54.97 54.73 2a48 s GLU 32 Cb -0.03 0.23 0.06 0.00 -4.31 0.00 0.00 34.13 30.08 2a48 s GLU 32 CO -0.04 -0.13 0.87 0.20 0.01 0.00 0.00 175.26 176.18 2a48 s GLY 33 N -1.02 0.34 0.01 -1.39 0.00 -0.84 -0.45 107.32 103.97 2a48 s GLY 33 Ca -0.11 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 43.95 2a48 s GLY 33 CO 0.02 0.59 -0.04 -1.31 0.00 0.00 0.00 173.10 172.36 2a48 s ASN 34 N -3.20 0.44 0.22 1.64 0.01 -0.27 -1.14 114.94 112.65 2a48 s ASN 34 Ca 0.18 -0.27 -0.14 0.00 -0.71 0.00 0.00 52.86 51.92 2a48 s ASN 34 Cb -0.04 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.63 2a48 s ASN 34 CO 0.10 -0.10 0.47 -0.83 -1.51 0.00 0.00 177.10 175.23 2a48 s GLY 35 N -0.75 0.34 -0.51 0.66 0.00 0.33 -1.42 107.32 105.98 2a48 s GLY 35 Ca -0.05 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.02 2a48 s GLY 35 CO -0.00 -0.55 0.25 0.54 0.00 0.00 0.00 173.10 173.34 2a48 s LYS 36 N -3.97 1.89 0.25 2.90 1.02 0.46 -0.17 119.74 122.12 2a48 s LYS 36 Ca 0.18 -2.55 -0.06 0.00 0.02 0.00 0.00 55.97 53.56 2a48 s LYS 36 Cb -0.00 -3.20 0.46 0.00 -0.52 0.00 0.00 37.83 34.56 2a48 s LYS 36 CO 0.04 -1.11 1.65 -1.35 -0.92 0.00 0.00 175.35 173.66 2a48 h PRO 37 N 6.54 0.15 -0.01 -1.68 0.11 -1.78 0.90 132.00 136.23 2a48 h PRO 37 Ca -0.07 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 2a48 h PRO 37 Cb 0.90 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2a48 h PRO 37 CO 0.66 0.10 -0.47 1.88 -0.21 0.00 0.00 178.00 179.96 2a48 h TYR 38 N 0.15 0.01 0.00 0.65 -1.99 -1.83 -2.75 116.97 111.21 2a48 h TYR 38 Ca 0.42 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 2a48 h TYR 38 Cb 0.74 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.47 2a48 h TYR 38 CO -0.36 0.48 -0.40 0.39 -0.00 0.00 0.00 178.16 178.28 2a48 n GLU 39 N -3.98 0.23 -2.24 4.88 1.02 -0.47 -4.34 120.64 115.75 2a48 n GLU 39 Ca -0.02 0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 2a48 n GLU 39 Cb 0.49 -1.69 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2a48 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a48 n GLY 40 N 1.36 0.06 3.33 0.62 0.00 0.19 -4.47 105.19 106.27 2a48 n GLY 40 Ca 0.04 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2a48 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a48 s THR 41 N -2.50 1.89 -0.16 2.61 -4.23 -1.05 -0.63 115.64 111.57 2a48 s THR 41 Ca 0.03 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 2a48 s THR 41 Cb -0.01 -1.77 0.12 0.00 1.34 0.00 0.00 72.50 72.17 2a48 s THR 41 CO 0.03 -0.14 0.95 0.00 -0.54 0.00 0.00 174.62 174.92 2a48 s GLN 42 N -2.31 0.66 -0.02 3.99 -2.07 -0.89 -0.40 119.66 118.61 2a48 s GLN 42 Ca 0.12 0.25 0.01 0.00 -1.82 0.00 0.00 55.36 53.92 2a48 s GLN 42 Cb -0.08 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 32.16 2a48 s GLN 42 CO 0.06 -0.19 -0.02 0.99 -1.32 0.00 0.00 175.29 174.81 2a48 s THR 43 N -0.89 0.28 0.04 3.63 2.01 -0.51 -1.49 115.64 118.71 2a48 s THR 43 Ca -0.02 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 2a48 s THR 43 Cb -0.01 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2a48 s THR 43 CO 0.02 0.13 0.03 -0.44 -0.69 0.00 0.00 174.62 173.68 2a48 s SER 44 N 0.57 0.29 -0.11 3.53 0.01 0.96 -1.11 113.70 117.85 2a48 s SER 44 Ca -0.06 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.53 2a48 s SER 44 Cb -0.09 0.20 -0.00 0.00 0.21 0.00 0.00 66.02 66.33 2a48 s SER 44 CO -0.01 -0.52 -0.20 -0.89 0.41 0.00 0.00 173.24 172.03 2a48 s THR 45 N -2.94 2.38 0.23 1.44 2.01 0.40 0.20 115.64 119.36 2a48 s THR 45 Ca -0.02 -0.91 0.10 0.00 0.31 0.00 0.00 61.69 61.17 2a48 s THR 45 Cb 0.01 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 2a48 s THR 45 CO -0.06 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.87 2a48 s PHE 46 N 0.35 2.03 -0.12 4.92 0.40 0.11 -1.71 117.98 123.95 2a48 s PHE 46 Ca -0.16 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.70 2a48 s PHE 46 Cb -0.17 -0.93 0.05 0.00 0.51 0.00 0.00 43.02 42.47 2a48 s PHE 46 CO 0.08 0.51 0.05 0.21 0.70 0.00 0.00 175.22 176.77 2a48 s LYS 47 N -3.32 0.26 -0.02 0.44 2.47 -0.23 -0.99 119.74 118.36 2a48 s LYS 47 Ca 0.24 0.01 -0.18 0.00 -1.56 0.00 0.00 55.97 54.48 2a48 s LYS 47 Cb -0.04 -1.35 -0.05 0.00 -1.46 0.00 0.00 37.83 34.92 2a48 s LYS 47 CO 0.10 -0.50 0.50 0.08 0.16 0.00 0.00 175.35 175.70 2a48 s VAL 48 N 2.06 4.98 -0.26 4.02 1.01 0.11 -2.27 120.40 130.05 2a48 s VAL 48 Ca 0.03 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2a48 s VAL 48 Cb -0.14 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.47 2a48 s VAL 48 CO -0.06 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.57 2a48 s THR 49 N -0.43 1.75 0.18 3.92 2.01 0.30 -4.86 115.64 118.51 2a48 s THR 49 Ca 0.27 -1.48 -0.30 0.00 0.31 0.00 0.00 61.69 60.49 2a48 s THR 49 Cb -0.17 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 2a48 s THR 49 CO 0.15 -0.18 1.32 -0.04 -0.69 0.00 0.00 174.62 175.17 2a48 s MET 50 N 1.27 4.38 0.24 4.92 -1.94 -1.26 -1.97 119.30 124.94 2a48 s MET 50 Ca -0.04 2.04 -0.05 0.00 -1.71 0.00 0.00 55.69 55.94 2a48 s MET 50 Cb -0.19 -3.21 0.44 0.00 2.01 0.00 0.00 34.83 33.88 2a48 s MET 50 CO -0.07 -0.28 1.72 0.00 -0.01 0.00 0.00 175.02 176.38 2a48 h ALA 51 N 5.65 1.01 -1.72 3.03 0.00 -1.48 -1.92 119.26 123.83 2a48 h ALA 51 Ca -0.44 0.13 -0.77 0.00 0.00 0.00 0.00 54.91 53.83 2a48 h ALA 51 Cb 1.21 0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.92 2a48 h ALA 51 CO 0.79 -0.25 1.25 0.27 0.00 0.00 0.00 179.25 181.31 2a48 n ASN 52 N -5.04 5.42 0.00 0.00 2.04 -1.26 -4.94 115.26 111.47 2a48 n ASN 52 Ca 0.14 -3.08 0.00 0.00 -0.44 0.00 0.00 54.58 51.20 2a48 n ASN 52 Cb 0.42 -1.47 0.00 0.00 -2.53 0.00 0.00 39.78 36.20 2a48 n ASN 52 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2a48 n GLY 53 N 3.11 0.00 0.00 4.83 0.00 -0.72 -4.87 105.19 107.55 2a48 n GLY 53 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2a48 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a48 n GLY 54 N 0.00 0.42 3.75 -0.02 0.00 -1.26 -5.00 105.19 103.08 2a48 n GLY 54 Ca 0.00 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 2a48 n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a48 s PRO 55 N -2.00 3.07 -0.18 1.61 0.02 -1.26 -4.28 135.00 131.98 2a48 s PRO 55 Ca 0.00 1.86 -0.42 0.00 0.02 0.00 0.00 61.00 62.46 2a48 s PRO 55 Cb 0.00 -2.01 -0.19 0.00 0.02 0.00 0.00 34.50 32.32 2a48 s PRO 55 CO 0.00 -1.14 1.34 -0.11 -0.33 0.00 0.00 177.00 176.76 2a48 n LEU 56 N -1.42 0.80 -0.13 -5.54 7.94 -1.24 -4.81 117.00 112.59 2a48 n LEU 56 Ca 0.13 1.16 0.14 0.00 -1.11 0.00 0.00 56.01 56.33 2a48 n LEU 56 Cb 0.49 -0.96 0.65 0.00 0.53 0.00 0.00 43.42 44.13 2a48 n LEU 56 CO 0.46 -1.32 0.90 0.00 -1.11 0.00 0.00 177.39 176.32 2a48 n ALA 57 N 2.80 2.72 -3.82 1.96 0.00 -1.26 -4.94 120.51 117.97 2a48 n ALA 57 Ca 0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2a48 n ALA 57 Cb 0.05 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2a48 n ALA 57 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2a48 s PHE 58 N -2.38 -0.09 0.09 0.00 -0.12 -1.26 -4.75 117.98 109.47 2a48 s PHE 58 Ca 0.32 -0.41 -0.31 0.00 -0.05 0.00 0.00 56.93 56.48 2a48 s PHE 58 Cb 0.20 0.72 -0.10 0.00 -0.63 0.00 0.00 43.02 43.22 2a48 s PHE 58 CO 0.45 -1.31 1.80 0.45 -0.05 0.00 0.00 175.22 176.57 2a48 s SER 59 N -2.96 6.47 0.55 1.98 0.15 -0.29 -4.88 113.70 114.73 2a48 s SER 59 Ca 0.12 2.67 0.31 0.00 0.70 0.00 0.00 55.95 59.75 2a48 s SER 59 Cb -0.06 -2.56 1.63 0.00 -1.71 0.00 0.00 66.02 63.33 2a48 s SER 59 CO 0.08 -0.98 2.13 0.15 1.20 0.00 0.00 173.24 175.82 2a48 h PHE 60 N 8.85 0.00 -0.41 3.44 3.57 -1.93 -2.70 116.94 127.76 2a48 h PHE 60 Ca -0.46 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.16 2a48 h PHE 60 Cb 1.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 2a48 h PHE 60 CO 0.81 0.08 0.40 -0.44 -2.23 0.00 0.00 178.31 176.93 2a48 h ASP 61 N 0.00 0.00 0.98 0.41 3.32 -1.97 0.33 116.42 119.49 2a48 h ASP 61 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2a48 h ASP 61 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2a48 h ASP 61 CO 0.01 0.00 -0.07 0.16 -1.72 0.00 0.00 179.24 177.62 2a48 h ILE 62 N 0.00 0.18 0.00 0.35 3.07 -1.88 -3.22 117.51 116.01 2a48 h ILE 62 Ca 0.20 -0.69 -0.33 0.00 1.55 0.00 0.00 64.86 65.58 2a48 h ILE 62 Cb 1.00 1.58 -0.06 0.00 -0.27 0.00 0.00 36.82 39.07 2a48 h ILE 62 CO -0.00 0.07 -2.24 0.18 -1.05 0.00 0.00 178.15 175.11 2a48 n LEU 63 N -3.20 0.16 -0.27 0.16 4.77 0.11 -4.70 117.00 114.03 2a48 n LEU 63 Ca 0.00 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.09 2a48 n LEU 63 Cb 0.34 0.41 0.11 0.00 -2.33 0.00 0.00 43.42 41.95 2a48 n LEU 63 CO 0.29 0.45 0.72 0.77 -1.33 0.00 0.00 177.39 178.29 2a48 h SER 64 N 0.00 -0.68 0.66 -1.43 4.64 -1.33 -0.75 113.55 114.66 2a48 h SER 64 Ca -0.47 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2a48 h SER 64 Cb 2.13 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 64.69 2a48 h SER 64 CO 0.04 -0.25 0.00 0.71 -0.87 0.00 0.00 176.83 176.46 2a48 h THR 65 N 0.01 0.00 0.05 2.95 1.35 -1.84 -2.65 112.91 112.78 2a48 h THR 65 Ca 0.38 -0.25 -0.13 0.00 -0.55 0.00 0.00 66.41 65.86 2a48 h THR 65 Cb 0.61 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2a48 h THR 65 CO -0.79 0.00 -0.55 0.58 -0.25 0.00 0.00 175.52 174.51 2a48 h VAL 66 N 0.00 1.51 -0.11 6.82 2.07 -1.43 -3.45 116.25 121.66 2a48 h VAL 66 Ca 0.00 -2.23 -0.50 0.00 0.82 0.00 0.00 66.70 64.79 2a48 h VAL 66 Cb 0.33 2.91 0.05 0.00 -1.52 0.00 0.00 31.29 33.06 2a48 h VAL 66 CO 0.00 0.63 1.56 0.49 0.02 0.00 0.00 177.57 180.27 2a48 n PHE 67 N -4.28 1.47 0.00 1.57 0.99 -1.00 -5.05 117.46 111.16 2a48 n PHE 67 Ca -0.11 -1.23 0.00 0.00 -0.00 0.00 0.00 57.45 56.11 2a48 n PHE 67 Cb 0.67 -1.75 0.00 0.00 -1.00 0.00 0.00 39.48 37.40 2a48 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2a48 n ASN 71 N 10.66 0.00 0.00 4.37 2.85 -1.26 -5.12 115.26 126.75 2a48 n ASN 71 Ca 0.47 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 55.00 2a48 n ASN 71 Cb 0.43 0.00 0.33 0.00 1.24 0.00 0.00 39.78 41.78 2a48 n ASN 71 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2a48 n ARG 72 N 0.00 0.32 0.21 1.20 5.12 -1.26 -1.97 116.66 120.28 2a48 n ARG 72 Ca 0.00 0.04 0.09 0.00 -1.93 0.00 0.00 57.85 56.05 2a48 n ARG 72 Cb 0.00 -1.50 0.41 0.00 -1.16 0.00 0.00 32.46 30.21 2a48 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a48 n PHE 74 N -3.40 2.76 -3.77 0.00 3.01 -0.83 -4.57 117.46 110.66 2a48 n PHE 74 Ca 0.00 -2.81 -0.13 0.00 1.01 0.00 0.00 57.45 55.52 2a48 n PHE 74 Cb 0.46 -1.92 -0.14 0.00 -0.01 0.00 0.00 39.48 37.87 2a48 n PHE 74 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2a48 s THR 75 N -0.20 -0.03 -0.47 4.37 2.01 -1.18 -4.44 115.64 115.70 2a48 s THR 75 Ca 0.47 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 62.30 2a48 s THR 75 Cb 0.14 -0.24 0.03 0.00 0.01 0.00 0.00 72.50 72.44 2a48 s THR 75 CO -0.04 0.04 1.09 0.00 -0.69 0.00 0.00 174.62 175.02 2a48 s ALA 76 N 0.77 3.17 -0.03 7.40 0.00 -0.66 -4.49 121.76 127.92 2a48 s ALA 76 Ca -0.06 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2a48 s ALA 76 Cb -0.07 -3.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2a48 s ALA 76 CO -0.04 -2.21 -0.10 0.71 0.00 0.00 0.00 175.76 174.12 2a48 s TYR 77 N 4.30 2.82 0.33 0.00 1.51 -1.26 -0.81 117.35 124.23 2a48 s TYR 77 Ca 0.45 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 56.15 2a48 s TYR 77 Cb -0.08 -1.63 -0.11 0.00 -0.11 0.00 0.00 41.96 40.03 2a48 s TYR 77 CO 0.30 0.29 1.55 -2.14 -1.11 0.00 0.00 175.55 174.45 2a48 s PRO 78 N -1.01 4.11 0.00 -1.71 0.01 -1.26 -4.79 135.00 130.34 2a48 s PRO 78 Ca 0.14 2.59 -0.00 0.00 0.01 0.00 0.00 61.00 63.73 2a48 s PRO 78 Cb -0.11 -2.99 -0.02 0.00 0.01 0.00 0.00 34.50 31.39 2a48 s PRO 78 CO 0.03 -0.60 0.85 0.25 0.01 0.00 0.00 177.00 177.54 2a48 n THR 79 N 1.37 0.74 0.00 0.99 -2.24 -1.26 -2.14 114.28 111.73 2a48 n THR 79 Ca 0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2a48 n THR 79 Cb 0.38 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 2a48 n THR 79 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2a48 n SER 80 N 2.04 0.00 -4.75 3.42 3.41 -1.26 -5.10 113.62 111.38 2a48 n SER 80 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 2a48 n SER 80 Cb 0.20 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2a48 n SER 80 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2a48 s MET 81 N -1.16 4.41 0.16 4.33 0.00 -0.91 -4.95 119.30 121.17 2a48 s MET 81 Ca 0.00 2.06 -0.31 0.00 0.00 0.00 0.00 55.69 57.44 2a48 s MET 81 Cb 0.00 -3.17 -0.11 0.00 0.00 0.00 0.00 34.83 31.55 2a48 s MET 81 CO 0.00 -0.20 1.73 -2.14 0.00 0.00 0.00 175.02 174.41 2a48 s PRO 82 N -0.55 4.15 -0.65 4.11 0.02 -1.26 -4.83 135.00 135.98 2a48 s PRO 82 Ca 0.54 2.54 -0.13 0.00 0.02 0.00 0.00 61.00 63.97 2a48 s PRO 82 Cb -0.37 -3.32 0.17 0.00 0.02 0.00 0.00 34.50 31.00 2a48 s PRO 82 CO 0.41 -0.76 0.58 0.34 -0.33 0.00 0.00 177.00 177.24 2a48 s ASP 83 N 1.82 6.27 0.47 2.53 -1.08 -1.26 -4.61 116.67 120.80 2a48 s ASP 83 Ca 0.76 -2.26 0.18 0.00 -0.52 0.00 0.00 52.55 50.71 2a48 s ASP 83 Cb -0.47 -2.15 1.16 0.00 -1.46 0.00 0.00 42.92 40.00 2a48 s ASP 83 CO 0.33 -0.68 1.97 0.22 0.52 0.00 0.00 175.17 177.53 2a48 h TYR 84 N 8.23 0.30 0.06 -5.34 3.20 -1.91 -1.71 116.97 119.79 2a48 h TYR 84 Ca -0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 2a48 h TYR 84 Cb 1.06 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2a48 h TYR 84 CO 0.84 0.13 -0.03 0.74 -1.64 0.00 0.00 178.16 178.20 2a48 h PHE 85 N 0.27 -0.07 -0.98 -3.82 -1.00 -1.91 -3.20 116.94 106.24 2a48 h PHE 85 Ca 0.29 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.17 2a48 h PHE 85 Cb 0.78 0.02 -0.07 0.00 3.61 0.00 0.00 35.95 40.29 2a48 h PHE 85 CO -0.00 0.40 0.62 0.87 -1.61 0.00 0.00 178.31 178.59 2a48 h LYS 86 N -0.96 1.00 -0.03 1.51 1.57 -1.84 -0.25 116.57 117.57 2a48 h LYS 86 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2a48 h LYS 86 Cb 0.50 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2a48 h LYS 86 CO 0.01 0.66 -0.13 1.96 -0.57 0.00 0.00 179.45 181.38 2a48 h GLN 87 N 1.03 0.04 -0.65 3.15 4.20 -1.45 -2.44 115.11 118.99 2a48 h GLN 87 Ca 0.45 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.09 2a48 h GLN 87 Cb 0.36 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2a48 h GLN 87 CO -0.21 0.17 0.12 0.00 -0.67 0.00 0.00 178.83 178.24 2a48 h ALA 88 N 1.83 0.86 -0.91 3.87 0.00 -1.03 -3.49 119.26 120.39 2a48 h ALA 88 Ca 0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 2a48 h ALA 88 Cb 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2a48 h ALA 88 CO 0.02 0.61 0.87 -0.06 0.00 0.00 0.00 179.25 180.69 2a48 s PHE 89 N -5.23 1.72 0.00 0.00 2.99 -0.92 -4.93 117.98 111.61 2a48 s PHE 89 Ca -0.12 0.76 0.00 0.00 0.00 0.00 0.00 56.93 57.57 2a48 s PHE 89 Cb 0.14 -4.01 0.00 0.00 0.00 0.00 0.00 43.02 39.15 2a48 s PHE 89 CO 0.84 -1.89 0.00 0.41 -0.00 0.00 0.00 175.22 174.58 2a48 n GLY 92 N 6.54 4.04 3.08 4.36 0.00 -1.26 -5.05 105.19 116.90 2a48 n GLY 92 Ca 0.35 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 2a48 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a48 s MET 93 N 2.64 0.38 -0.09 1.61 -1.94 -0.85 -3.07 119.30 117.99 2a48 s MET 93 Ca 0.00 -0.20 -0.01 0.00 -1.71 0.00 0.00 55.69 53.77 2a48 s MET 93 Cb 0.00 0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.97 2a48 s MET 93 CO 0.00 -0.08 -0.02 -1.12 -0.01 0.00 0.00 175.02 173.78 2a48 s SER 94 N -0.90 5.00 0.05 3.03 0.01 0.42 -1.20 113.70 120.11 2a48 s SER 94 Ca -0.10 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.30 2a48 s SER 94 Cb -0.06 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 2a48 s SER 94 CO 0.01 0.35 -0.22 -0.31 0.41 0.00 0.00 173.24 173.48 2a48 s TYR 95 N -0.69 1.94 -0.06 2.43 4.12 0.71 -0.85 117.35 124.94 2a48 s TYR 95 Ca 0.11 -0.38 -0.03 0.00 0.02 0.00 0.00 57.07 56.79 2a48 s TYR 95 Cb -0.12 -1.15 0.04 0.00 -1.52 0.00 0.00 41.96 39.21 2a48 s TYR 95 CO 0.02 0.11 0.12 -1.21 0.02 0.00 0.00 175.55 174.60 2a48 s GLU 96 N -1.24 -0.01 -0.04 -0.62 2.02 -0.83 -1.25 118.70 116.74 2a48 s GLU 96 Ca 0.09 0.47 0.03 0.00 0.02 0.00 0.00 54.97 55.58 2a48 s GLU 96 Cb -0.09 -0.36 0.00 0.00 0.10 0.00 0.00 34.13 33.78 2a48 s GLU 96 CO 0.02 -0.31 -0.14 0.50 0.02 0.00 0.00 175.26 175.36 2a48 s ARG 97 N 2.16 1.48 -0.19 1.61 3.52 0.99 -0.42 118.95 128.10 2a48 s ARG 97 Ca 0.03 -0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 55.10 2a48 s ARG 97 Cb -0.12 -1.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.94 2a48 s ARG 97 CO -0.05 0.17 -0.01 0.99 -0.81 0.00 0.00 175.30 175.60 2a48 s THR 98 N 0.18 3.94 -0.28 4.11 2.01 0.08 -0.66 115.64 125.02 2a48 s THR 98 Ca -0.05 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 2a48 s THR 98 Cb -0.11 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.65 2a48 s THR 98 CO 0.02 0.44 0.00 -0.36 -0.69 0.00 0.00 174.62 174.03 2a48 s PHE 99 N 0.91 3.14 -0.36 4.92 0.40 0.43 -1.69 117.98 125.74 2a48 s PHE 99 Ca 0.01 -1.43 -0.04 0.00 -0.60 0.00 0.00 56.93 54.88 2a48 s PHE 99 Cb -0.14 -2.14 0.07 0.00 0.51 0.00 0.00 43.02 41.31 2a48 s PHE 99 CO 0.02 -0.70 0.12 0.99 0.70 0.00 0.00 175.22 176.35 2a48 s THR 100 N 1.37 3.39 0.29 0.64 2.01 -0.68 -1.44 115.64 121.22 2a48 s THR 100 Ca -0.00 -1.55 -0.19 0.00 0.31 0.00 0.00 61.69 60.25 2a48 s THR 100 Cb -0.18 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 2a48 s THR 100 CO -0.01 -0.36 0.78 -0.31 -0.69 0.00 0.00 174.62 174.04 2a48 s TYR 101 N 1.27 3.54 0.38 4.92 1.51 -0.21 -0.96 117.35 127.80 2a48 s TYR 101 Ca 0.01 1.42 0.38 0.00 -1.01 0.00 0.00 57.07 57.87 2a48 s TYR 101 Cb -0.21 -2.66 1.98 0.00 -0.11 0.00 0.00 41.96 40.96 2a48 s TYR 101 CO -0.01 0.20 2.17 1.05 -1.11 0.00 0.00 175.55 177.84 2a48 h GLU 102 N 2.87 0.00 -0.65 -0.62 4.11 -1.24 -2.48 114.58 116.58 2a48 h GLU 102 Ca -0.48 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.81 2a48 h GLU 102 Cb 1.19 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 2a48 h GLU 102 CO 0.65 0.00 0.17 -0.40 0.07 0.00 0.00 179.01 179.49 2a48 n ASP 103 N -2.92 4.93 0.00 3.06 5.75 -1.26 -4.90 116.55 121.21 2a48 n ASP 103 Ca -0.02 -3.16 0.00 0.00 -0.01 0.00 0.00 54.79 51.61 2a48 n ASP 103 Cb 0.12 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 2a48 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a48 n GLY 104 N -0.02 1.11 3.77 6.12 0.00 -0.93 -4.59 105.19 110.65 2a48 n GLY 104 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 2a48 n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a48 s GLY 105 N -1.95 2.91 -0.01 -0.02 0.00 -1.20 -4.62 107.32 102.43 2a48 s GLY 105 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.52 2a48 s GLY 105 CO 0.00 1.32 -0.01 0.14 0.00 0.00 0.00 173.10 174.55 2a48 s VAL 106 N -1.40 0.16 -0.01 1.40 1.01 -0.54 -1.04 120.40 119.99 2a48 s VAL 106 Ca 0.51 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2a48 s VAL 106 Cb -0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 2a48 s VAL 106 CO 0.34 0.08 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 2a48 s ALA 107 N 0.39 0.62 0.06 5.51 0.00 -0.52 -0.67 121.76 127.15 2a48 s ALA 107 Ca -0.04 -0.30 0.09 0.00 0.00 0.00 0.00 51.96 51.72 2a48 s ALA 107 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2a48 s ALA 107 CO -0.01 0.14 -0.25 -0.08 0.00 0.00 0.00 175.76 175.56 2a48 s THR 108 N -0.09 2.24 -0.12 0.00 -1.32 0.12 -0.43 115.64 116.05 2a48 s THR 108 Ca 0.02 -1.44 -0.15 0.00 -1.21 0.00 0.00 61.69 58.91 2a48 s THR 108 Cb -0.04 -1.90 0.04 0.00 -1.51 0.00 0.00 72.50 69.08 2a48 s THR 108 CO -0.00 0.31 0.40 0.00 -2.21 0.00 0.00 174.62 173.12 2a48 s ALA 109 N -0.87 -1.01 -0.01 11.08 0.00 0.16 -1.48 121.76 129.64 2a48 s ALA 109 Ca 0.13 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 2a48 s ALA 109 Cb -0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 2a48 s ALA 109 CO 0.03 -0.22 0.04 -1.54 0.00 0.00 0.00 175.76 174.07 2a48 s SER 110 N -0.20 0.02 0.18 0.00 1.04 -0.90 -0.01 113.70 113.84 2a48 s SER 110 Ca -0.04 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.20 2a48 s SER 110 Cb -0.03 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.20 2a48 s SER 110 CO 0.02 -0.11 0.39 -1.66 0.98 0.00 0.00 173.24 172.86 2a48 s TRP 111 N -0.43 0.18 -0.01 5.02 -2.14 -0.38 -1.87 118.94 119.31 2a48 s TRP 111 Ca -0.05 -0.53 0.04 0.00 2.66 0.00 0.00 56.10 58.21 2a48 s TRP 111 Cb -0.03 0.14 -0.01 0.00 -3.10 0.00 0.00 33.47 30.47 2a48 s TRP 111 CO -0.00 -0.81 -0.12 -1.21 -2.66 0.00 0.00 176.95 172.15 2a48 s GLU 112 N -3.93 0.98 -0.13 3.25 8.01 -0.24 -0.21 118.70 126.43 2a48 s GLU 112 Ca 0.14 -0.41 0.03 0.00 0.01 0.00 0.00 54.97 54.73 2a48 s GLU 112 Cb 0.01 -0.94 0.00 0.00 -4.31 0.00 0.00 34.13 28.90 2a48 s GLU 112 CO -0.01 0.24 -0.21 0.42 0.01 0.00 0.00 175.26 175.70 2a48 s ILE 113 N -0.21 2.20 0.19 -1.63 1.01 -0.34 -1.11 121.20 121.30 2a48 s ILE 113 Ca 0.03 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 59.82 2a48 s ILE 113 Cb -0.05 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2a48 s ILE 113 CO -0.00 0.55 -0.18 -0.94 0.00 0.00 0.00 174.94 174.37 2a48 s SER 114 N 0.62 2.76 -0.10 3.58 1.04 0.75 -2.01 113.70 120.33 2a48 s SER 114 Ca -0.11 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.42 2a48 s SER 114 Cb -0.16 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.80 2a48 s SER 114 CO 0.03 -0.06 -0.15 -0.22 0.98 0.00 0.00 173.24 173.82 2a48 s LEU 115 N -2.90 1.72 -0.30 2.42 2.96 -1.26 0.34 118.68 121.66 2a48 s LEU 115 Ca 0.19 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2a48 s LEU 115 Cb -0.05 -1.06 0.09 0.00 0.50 0.00 0.00 46.19 45.67 2a48 s LEU 115 CO 0.07 0.02 0.04 -1.59 -1.32 0.00 0.00 176.35 173.58 2a48 s LYS 116 N 0.92 1.16 7.89 1.98 0.00 0.21 -4.98 119.74 126.92 2a48 s LYS 116 Ca -0.08 -1.28 0.00 0.00 0.00 0.00 0.00 55.97 54.61 2a48 s LYS 116 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.17 2a48 s LYS 116 CO -0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.35 174.89 2a48 n GLY 117 N 4.63 3.48 1.61 0.59 0.00 -1.26 -0.24 105.19 113.99 2a48 n GLY 117 Ca -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2a48 n GLY 117 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2a48 n ASN 118 N 8.49 4.10 -4.17 1.61 6.94 -1.26 -4.93 115.26 126.04 2a48 n ASN 118 Ca 0.00 -3.31 -0.32 0.00 -0.02 0.00 0.00 54.58 50.93 2a48 n ASN 118 Cb 0.00 -0.69 -0.17 0.00 -2.36 0.00 0.00 39.78 36.57 2a48 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2a48 s PHE 120 N 0.73 3.28 -0.30 0.00 2.99 0.32 -0.62 117.98 124.38 2a48 s PHE 120 Ca -0.10 0.38 -0.11 0.00 0.00 0.00 0.00 56.93 57.11 2a48 s PHE 120 Cb -0.16 -2.49 -0.03 0.00 0.00 0.00 0.00 43.02 40.34 2a48 s PHE 120 CO 0.00 -0.13 0.18 -1.21 -0.00 0.00 0.00 175.22 174.07 2a48 s GLU 121 N 1.71 3.70 -0.29 0.44 2.02 0.15 -1.06 118.70 125.36 2a48 s GLU 121 Ca 0.13 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.61 2a48 s GLU 121 Cb -0.15 -3.64 0.04 0.00 0.10 0.00 0.00 34.13 30.47 2a48 s GLU 121 CO 0.09 -0.29 0.00 -1.58 0.02 0.00 0.00 175.26 173.50 2a48 s HIS 122 N 1.71 3.22 -0.18 1.61 5.65 -0.50 -0.18 115.29 126.62 2a48 s HIS 122 Ca 0.06 -1.71 -0.01 0.00 0.25 0.00 0.00 55.06 53.65 2a48 s HIS 122 Cb -0.16 -2.12 0.00 0.00 -1.18 0.00 0.00 32.58 29.12 2a48 s HIS 122 CO 0.09 -0.77 -0.13 0.21 -0.65 0.00 0.00 174.74 173.49 2a48 s LYS 123 N 1.30 3.20 0.13 2.88 2.20 -0.26 -1.63 119.74 127.55 2a48 s LYS 123 Ca -0.03 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 2a48 s LYS 123 Cb -0.19 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2a48 s LYS 123 CO -0.01 -0.12 -0.03 -1.54 -0.36 0.00 0.00 175.35 173.29 2a48 s SER 124 N 1.16 1.10 -0.04 1.43 1.04 -0.14 -1.08 113.70 117.17 2a48 s SER 124 Ca 0.01 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.37 2a48 s SER 124 Cb -0.14 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2a48 s SER 124 CO -0.05 -0.53 -0.10 0.42 0.98 0.00 0.00 173.24 173.96 2a48 s THR 125 N -3.67 0.89 -0.00 2.02 -4.23 -0.78 -0.61 115.64 109.25 2a48 s THR 125 Ca 0.18 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 2a48 s THR 125 Cb 0.06 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 73.07 2a48 s THR 125 CO -0.01 0.29 -0.14 0.12 -0.54 0.00 0.00 174.62 174.34 2a48 s PHE 126 N 0.51 1.24 -0.16 3.99 5.36 -0.02 -2.11 117.98 126.80 2a48 s PHE 126 Ca -0.09 -0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 55.58 2a48 s PHE 126 Cb -0.13 -0.79 0.08 0.00 -0.34 0.00 0.00 43.02 41.85 2a48 s PHE 126 CO 0.02 -0.01 0.27 -1.58 -1.46 0.00 0.00 175.22 172.45 2a48 s HIS 127 N -0.42 -0.43 0.01 10.12 5.65 -0.55 -1.53 115.29 128.14 2a48 s HIS 127 Ca 0.05 0.75 0.07 0.00 0.25 0.00 0.00 55.06 56.18 2a48 s HIS 127 Cb -0.06 -0.12 -0.02 0.00 -1.18 0.00 0.00 32.58 31.20 2a48 s HIS 127 CO -0.00 -0.47 -0.22 0.20 -0.65 0.00 0.00 174.74 173.60 2a48 s GLY 128 N 2.41 1.14 0.15 1.59 0.00 0.55 -0.70 107.32 112.47 2a48 s GLY 128 Ca 0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2a48 s GLY 128 CO -0.10 -0.91 0.09 -1.34 0.00 0.00 0.00 173.10 170.84 2a48 s VAL 129 N -0.66 0.07 -1.96 1.40 -7.23 0.15 -0.91 120.40 111.26 2a48 s VAL 129 Ca 0.09 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2a48 s VAL 129 Cb -0.09 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2a48 s VAL 129 CO 0.00 -0.32 0.00 0.59 -0.31 0.00 0.00 175.10 175.07 2a48 n ASN 130 N -0.15 -5.40 -4.70 4.85 3.02 -1.26 -1.47 115.26 110.15 2a48 n ASN 130 Ca -0.03 0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.41 2a48 n ASN 130 Cb 0.64 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 2a48 n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a48 s PHE 131 N -2.80 3.59 0.15 3.10 0.40 -1.26 -3.24 117.98 117.92 2a48 s PHE 131 Ca 0.00 1.64 -0.34 0.00 -0.60 0.00 0.00 56.93 57.62 2a48 s PHE 131 Cb 0.00 -3.16 -0.14 0.00 0.51 0.00 0.00 43.02 40.22 2a48 s PHE 131 CO 0.00 -0.17 1.55 -2.30 0.70 0.00 0.00 175.22 175.00 2a48 n PRO 132 N 4.30 2.01 -0.30 0.24 -0.02 -1.26 -4.78 135.00 135.19 2a48 n PRO 132 Ca 0.07 0.73 0.32 0.00 -2.02 0.00 0.00 63.50 62.60 2a48 n PRO 132 Cb 0.50 -2.48 0.70 0.00 -0.02 0.00 0.00 33.50 32.20 2a48 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a48 h ALA 133 N 5.76 2.93 -0.17 3.55 0.00 -2.00 0.18 119.26 129.51 2a48 h ALA 133 Ca -0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2a48 h ALA 133 Cb 1.26 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2a48 h ALA 133 CO 0.87 -1.27 -0.10 -0.40 0.00 0.00 0.00 179.25 178.36 2a48 n ASP 134 N -4.28 2.73 -3.68 0.00 3.85 -1.26 -4.41 116.55 109.50 2a48 n ASP 134 Ca 0.25 -3.37 -0.20 0.00 -0.71 0.00 0.00 54.79 50.76 2a48 n ASP 134 Cb 1.15 -0.53 0.12 0.00 -1.35 0.00 0.00 41.12 40.51 2a48 n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a48 n GLY 135 N -1.04 -0.37 0.37 6.12 0.00 0.63 -4.74 105.19 106.17 2a48 n GLY 135 Ca 0.22 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.52 2a48 n GLY 135 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a48 h PRO 136 N 0.00 0.48 0.47 1.61 0.10 -1.95 0.61 132.00 133.32 2a48 h PRO 136 Ca -0.29 -0.03 -0.02 0.00 0.10 0.00 0.00 66.00 65.76 2a48 h PRO 136 Cb 0.91 -0.11 0.00 0.00 0.10 0.00 0.00 31.00 31.91 2a48 h PRO 136 CO 0.25 0.32 -0.22 0.28 0.10 0.00 0.00 178.00 178.72 2a48 h VAL 137 N 0.49 0.00 -0.69 3.15 2.07 -1.92 0.36 116.25 119.70 2a48 h VAL 137 Ca 0.34 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2a48 h VAL 137 Cb 0.67 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2a48 h VAL 137 CO -0.11 0.00 0.35 0.24 0.02 0.00 0.00 177.57 178.07 2a48 h MET 138 N -1.05 0.97 -0.03 1.57 2.86 -1.74 -0.47 114.93 117.03 2a48 h MET 138 Ca -0.06 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2a48 h MET 138 Cb 0.48 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2a48 h MET 138 CO 0.11 0.73 0.00 0.00 1.06 0.00 0.00 176.91 178.81 2a48 n ALA 139 N -2.44 2.62 -3.71 6.32 0.00 0.20 -4.61 120.51 118.89 2a48 n ALA 139 Ca 0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2a48 n ALA 139 Cb 0.12 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.28 2a48 n ALA 139 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2a48 n LYS 140 N -0.46 -4.37 -0.29 0.00 5.02 -0.59 -4.91 118.16 112.56 2a48 n LYS 140 Ca 0.19 0.59 0.11 0.00 -2.02 0.00 0.00 58.31 57.18 2a48 n LYS 140 Cb 0.19 -5.05 0.27 0.00 -0.02 0.00 0.00 35.03 30.42 2a48 n LYS 140 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2a48 n LYS 141 N -4.24 2.66 -2.75 1.97 4.01 0.03 -4.96 118.16 114.88 2a48 n LYS 141 Ca -0.28 -2.45 -0.28 0.00 -0.51 0.00 0.00 58.31 54.80 2a48 n LYS 141 Cb 0.67 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.69 2a48 n LYS 141 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2a48 s THR 142 N -1.09 4.91 -0.05 -0.18 -4.23 -1.26 0.51 115.64 114.26 2a48 s THR 142 Ca 0.42 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2a48 s THR 142 Cb 0.22 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 2a48 s THR 142 CO 0.29 -0.76 0.00 0.35 -0.54 0.00 0.00 174.62 173.97 2a48 n THR 143 N -2.02 0.31 0.00 3.99 -2.24 0.20 -4.66 114.28 109.86 2a48 n THR 143 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2a48 n THR 143 Cb 0.55 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2a48 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a48 n GLY 144 N 2.81 0.85 3.76 3.38 0.00 -1.25 -4.70 105.19 110.03 2a48 n GLY 144 Ca -0.08 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 2a48 n GLY 144 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a48 s TRP 145 N -1.95 3.96 0.45 1.61 0.52 -1.26 0.44 118.94 122.70 2a48 s TRP 145 Ca 0.00 1.83 -0.22 0.00 0.02 0.00 0.00 56.10 57.73 2a48 s TRP 145 Cb 0.00 -2.92 -0.08 0.00 -1.15 0.00 0.00 33.47 29.31 2a48 s TRP 145 CO 0.00 0.46 1.06 0.34 0.02 0.00 0.00 176.95 178.83 2a48 s ASP 146 N -1.10 6.47 0.20 2.95 2.15 0.09 -4.72 116.67 122.71 2a48 s ASP 146 Ca 0.40 2.02 -0.32 0.00 0.43 0.00 0.00 52.55 55.07 2a48 s ASP 146 Cb -0.25 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.65 2a48 s ASP 146 CO 0.30 -0.69 1.27 -2.65 -0.17 0.00 0.00 175.17 173.23 2a48 n PRO 147 N -0.57 1.53 -4.50 4.34 -0.02 -1.26 -4.72 135.00 129.81 2a48 n PRO 147 Ca 0.07 0.55 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 2a48 n PRO 147 Cb 0.51 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 2a48 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2a48 s SER 148 N 0.12 2.91 -0.29 2.55 1.04 -1.02 -4.98 113.70 114.04 2a48 s SER 148 Ca 0.71 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.81 2a48 s SER 148 Cb -0.76 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 65.24 2a48 s SER 148 CO 0.51 -0.51 0.03 -0.36 0.98 0.00 0.00 173.24 173.89 2a48 s PHE 149 N -3.06 2.56 -0.35 5.02 0.40 -1.26 -1.01 117.98 120.28 2a48 s PHE 149 Ca 0.35 -2.10 -0.21 0.00 -0.60 0.00 0.00 56.93 54.37 2a48 s PHE 149 Cb 0.08 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2a48 s PHE 149 CO 0.16 -0.85 0.65 -1.14 0.70 0.00 0.00 175.22 174.74 2a48 s GLN 150 N 1.33 3.74 -0.22 0.44 0.74 0.22 -4.77 119.66 121.14 2a48 s GLN 150 Ca 0.04 0.14 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 2a48 s GLN 150 Cb -0.18 -3.79 0.01 0.00 1.10 0.00 0.00 33.01 30.14 2a48 s GLN 150 CO -0.13 -0.71 1.05 0.21 -0.55 0.00 0.00 175.29 175.16 2a48 s LYS 151 N 2.73 4.27 -0.22 1.67 2.47 -0.47 -0.20 119.74 129.98 2a48 s LYS 151 Ca 0.25 1.37 -0.08 0.00 -1.56 0.00 0.00 55.97 55.96 2a48 s LYS 151 Cb -0.14 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 2a48 s LYS 151 CO 0.14 -0.62 0.08 -1.64 0.16 0.00 0.00 175.35 173.48 2a48 s MET 152 N 3.16 3.85 0.07 4.03 -1.94 0.11 -0.67 119.30 127.91 2a48 s MET 152 Ca 0.45 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.04 2a48 s MET 152 Cb -0.15 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 2a48 s MET 152 CO 0.07 0.04 -0.05 0.95 -0.01 0.00 0.00 175.02 176.02 2a48 s THR 153 N 1.03 0.47 -0.14 2.05 -4.23 -0.15 -0.59 115.64 114.08 2a48 s THR 153 Ca 0.05 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 2a48 s THR 153 Cb -0.14 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 2a48 s THR 153 CO 0.03 -0.91 0.21 -0.69 -0.54 0.00 0.00 174.62 172.72 2a48 s VAL 154 N -3.65 5.37 -0.16 2.29 1.01 -1.26 0.60 120.40 124.60 2a48 s VAL 154 Ca 0.08 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 2a48 s VAL 154 Cb 0.06 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2a48 s VAL 154 CO -0.07 0.50 0.12 0.00 0.00 0.00 0.00 175.10 175.65 2a48 n ASP 156 N 5.29 -5.01 0.00 0.00 3.85 -1.26 -1.65 116.55 117.77 2a48 n ASP 156 Ca -0.06 -1.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.96 2a48 n ASP 156 Cb 0.49 -2.66 0.00 0.00 -1.35 0.00 0.00 41.12 37.61 2a48 n ASP 156 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a48 n GLY 157 N -1.82 2.38 3.50 6.12 0.00 -1.26 -4.99 105.19 109.11 2a48 n GLY 157 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2a48 n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2a48 s ILE 158 N -2.35 2.83 -0.11 -0.61 -4.36 -0.66 -5.01 121.20 110.94 2a48 s ILE 158 Ca 0.00 -1.66 -0.27 0.00 -0.26 0.00 0.00 60.65 58.46 2a48 s ILE 158 Cb 0.00 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 2a48 s ILE 158 CO 0.00 -0.00 0.90 -0.22 0.24 0.00 0.00 174.94 175.86 2a48 s LEU 159 N -2.44 4.25 0.14 0.37 2.96 -1.20 -0.19 118.68 122.56 2a48 s LEU 159 Ca 0.20 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.54 2a48 s LEU 159 Cb -0.10 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 2a48 s LEU 159 CO 0.11 -0.36 0.02 -0.54 -1.32 0.00 0.00 176.35 174.27 2a48 s LYS 160 N 1.75 2.55 -0.04 1.98 -0.14 0.20 -0.62 119.74 125.43 2a48 s LYS 160 Ca 0.44 -0.95 0.01 0.00 -1.36 0.00 0.00 55.97 54.11 2a48 s LYS 160 Cb -0.18 -2.48 0.02 0.00 -1.68 0.00 0.00 37.83 33.50 2a48 s LYS 160 CO 0.17 0.50 -0.06 0.20 -0.76 0.00 0.00 175.35 175.40 2a48 s GLY 161 N -2.70 0.48 -0.01 -3.33 0.00 -0.19 -0.97 107.32 100.59 2a48 s GLY 161 Ca 0.27 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.89 2a48 s GLY 161 CO 0.19 0.27 -0.10 0.99 0.00 0.00 0.00 173.10 174.45 2a48 s ASP 162 N 0.68 1.18 -0.21 1.64 1.11 0.15 -0.76 116.67 120.47 2a48 s ASP 162 Ca -0.10 -0.18 -0.17 0.00 0.18 0.00 0.00 52.55 52.28 2a48 s ASP 162 Cb -0.13 -0.16 0.06 0.00 1.07 0.00 0.00 42.92 43.76 2a48 s ASP 162 CO 0.01 0.12 0.55 0.54 1.18 0.00 0.00 175.17 177.56 2a48 s VAL 163 N -0.18 -0.00 -0.80 -1.27 0.11 -0.58 -1.37 120.40 116.31 2a48 s VAL 163 Ca 0.03 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 2a48 s VAL 163 Cb -0.04 -0.77 0.18 0.00 -1.53 0.00 0.00 36.38 34.21 2a48 s VAL 163 CO -0.00 0.01 0.82 -0.89 -3.33 0.00 0.00 175.10 171.70 2a48 s THR 164 N 0.63 5.31 0.56 5.04 2.01 -1.26 0.22 115.64 128.14 2a48 s THR 164 Ca -0.03 -2.05 -0.07 0.00 0.31 0.00 0.00 61.69 59.86 2a48 s THR 164 Cb -0.05 -4.53 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 2a48 s THR 164 CO -0.04 -1.13 0.90 0.00 -0.69 0.00 0.00 174.62 173.66 2a48 s ALA 165 N 1.09 3.27 -0.08 7.40 0.00 0.54 -4.92 121.76 129.05 2a48 s ALA 165 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 2a48 s ALA 165 Cb -0.12 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.29 2a48 s ALA 165 CO -0.07 -0.61 -0.02 -0.06 0.00 0.00 0.00 175.76 175.01 2a48 s PHE 166 N -2.96 0.87 -0.23 0.00 0.40 -1.26 -1.46 117.98 113.34 2a48 s PHE 166 Ca 0.52 -0.31 -0.18 0.00 -0.60 0.00 0.00 56.93 56.35 2a48 s PHE 166 Cb -0.11 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 2a48 s PHE 166 CO 0.47 -0.38 0.52 -1.17 0.70 0.00 0.00 175.22 175.37 2a48 s LEU 167 N 1.91 4.10 0.37 -0.37 0.20 0.80 -0.74 118.68 124.95 2a48 s LEU 167 Ca 0.05 0.61 -0.25 0.00 0.69 0.00 0.00 54.13 55.23 2a48 s LEU 167 Cb -0.12 -2.70 -0.09 0.00 -0.43 0.00 0.00 46.19 42.85 2a48 s LEU 167 CO -0.06 -0.24 1.02 -0.04 -0.29 0.00 0.00 176.35 176.74 2a48 s MET 168 N 1.98 4.33 0.13 1.98 -1.94 0.17 0.23 119.30 126.18 2a48 s MET 168 Ca 0.23 1.48 0.06 0.00 -1.71 0.00 0.00 55.69 55.75 2a48 s MET 168 Cb -0.15 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 2a48 s MET 168 CO 0.09 0.02 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.58 2a48 s LEU 169 N -2.37 3.29 0.18 -0.03 1.43 -0.02 -0.63 118.68 120.54 2a48 s LEU 169 Ca 0.54 -0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 53.01 2a48 s LEU 169 Cb -0.22 -2.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.88 2a48 s LEU 169 CO 0.27 0.14 1.71 -1.10 0.23 0.00 0.00 176.35 177.61 2a48 s GLN 170 N -2.52 4.14 0.00 1.70 -0.21 0.18 -1.17 119.66 121.79 2a48 s GLN 170 Ca 0.25 2.56 0.00 0.00 0.02 0.00 0.00 55.36 58.19 2a48 s GLN 170 Cb -0.11 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.72 2a48 s GLN 170 CO 0.17 -0.74 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 2a48 n GLY 171 N 3.98 2.55 0.00 3.09 0.00 -1.26 -4.67 105.19 108.88 2a48 n GLY 171 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2a48 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a48 n GLY 172 N 0.00 3.95 0.00 -0.02 0.00 -0.32 -5.13 105.19 103.67 2a48 n GLY 172 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2a48 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a48 n GLY 173 N 0.00 -3.46 3.12 -0.02 0.00 -1.26 -4.59 105.19 98.98 2a48 n GLY 173 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 2a48 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a48 s ASN 174 N -1.91 0.34 -0.12 1.61 2.20 -1.26 -0.84 114.94 114.96 2a48 s ASN 174 Ca 0.00 -0.83 0.01 0.00 -0.94 0.00 0.00 52.86 51.10 2a48 s ASN 174 Cb 0.00 0.24 0.02 0.00 -2.00 0.00 0.00 41.25 39.51 2a48 s ASN 174 CO 0.00 -0.61 -0.12 -0.47 -2.94 0.00 0.00 177.10 172.96 2a48 s TYR 175 N -3.63 1.89 0.20 1.54 5.04 0.14 -4.90 117.35 117.63 2a48 s TYR 175 Ca 0.04 -0.98 -0.28 0.00 -2.44 0.00 0.00 57.07 53.41 2a48 s TYR 175 Cb 0.05 -1.42 -0.08 0.00 0.35 0.00 0.00 41.96 40.86 2a48 s TYR 175 CO -0.09 -0.56 0.88 0.50 -1.34 0.00 0.00 175.55 174.94 2a48 s ARG 176 N 1.39 4.75 -0.10 4.97 3.52 -1.26 -0.14 118.95 132.07 2a48 s ARG 176 Ca 0.01 1.37 -0.04 0.00 -0.13 0.00 0.00 55.73 56.94 2a48 s ARG 176 Cb -0.13 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2a48 s ARG 176 CO -0.07 0.51 0.20 0.00 -0.81 0.00 0.00 175.30 175.13 2a48 s GLN 178 N 2.09 4.25 -0.15 0.00 2.00 -0.13 -0.34 119.66 127.38 2a48 s GLN 178 Ca -0.00 0.48 -0.06 0.00 -2.00 0.00 0.00 55.36 53.78 2a48 s GLN 178 Cb -0.12 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 2a48 s GLN 178 CO -0.07 -0.05 0.05 -0.06 -0.50 0.00 0.00 175.29 174.66 2a48 s PHE 179 N 1.30 3.25 -0.15 1.67 0.40 0.13 -1.68 117.98 122.90 2a48 s PHE 179 Ca 0.26 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2a48 s PHE 179 Cb -0.15 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.43 2a48 s PHE 179 CO 0.10 0.27 -0.03 -1.58 0.70 0.00 0.00 175.22 174.69 2a48 s HIS 180 N -0.08 1.34 0.01 0.36 2.46 -0.68 -1.53 115.29 117.18 2a48 s HIS 180 Ca 0.06 -0.83 0.07 0.00 0.47 0.00 0.00 55.06 54.83 2a48 s HIS 180 Cb -0.12 -1.15 -0.02 0.00 -0.13 0.00 0.00 32.58 31.16 2a48 s HIS 180 CO 0.01 -0.55 -0.20 0.99 -2.47 0.00 0.00 174.74 172.53 2a48 s THR 181 N 1.75 1.58 -0.14 0.89 2.01 0.06 -0.74 115.64 121.05 2a48 s THR 181 Ca 0.02 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 2a48 s THR 181 Cb -0.15 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 2a48 s THR 181 CO -0.07 0.31 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.66 2a48 s SER 182 N -0.82 4.52 -0.30 3.53 0.01 0.44 -1.02 113.70 120.06 2a48 s SER 182 Ca 0.07 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 2a48 s SER 182 Cb -0.08 -1.69 0.04 0.00 0.21 0.00 0.00 66.02 64.50 2a48 s SER 182 CO 0.01 0.18 0.01 -0.31 0.41 0.00 0.00 173.24 173.54 2a48 s TYR 183 N 0.28 3.22 -0.12 2.43 1.51 0.21 -1.96 117.35 122.92 2a48 s TYR 183 Ca -0.06 -1.67 -0.00 0.00 -1.01 0.00 0.00 57.07 54.33 2a48 s TYR 183 Cb -0.15 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2a48 s TYR 183 CO 0.04 -0.76 -0.11 0.15 -1.11 0.00 0.00 175.55 173.75 2a48 s LYS 184 N 1.31 3.31 -0.06 -0.62 1.02 -0.03 -3.28 119.74 121.40 2a48 s LYS 184 Ca -0.03 -0.65 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 2a48 s LYS 184 Cb -0.19 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 2a48 s LYS 184 CO -0.01 0.29 0.23 0.95 -0.92 0.00 0.00 175.35 175.89 2a48 s THR 185 N 0.17 5.35 0.54 2.17 -4.23 -1.26 -0.43 115.64 117.95 2a48 s THR 185 Ca -0.06 0.32 0.29 0.00 -1.18 0.00 0.00 61.69 61.06 2a48 s THR 185 Cb -0.15 -3.51 0.34 0.00 1.34 0.00 0.00 72.50 70.52 2a48 s THR 185 CO 0.04 0.54 2.20 0.11 -0.54 0.00 0.00 174.62 176.97 2a48 h LYS 186 N 4.63 0.00 -4.39 3.99 1.79 -1.91 -3.44 116.57 117.23 2a48 h LYS 186 Ca -0.53 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.74 2a48 h LYS 186 Cb 1.22 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.73 2a48 h LYS 186 CO 0.61 0.04 -0.52 0.15 -1.08 0.00 0.00 179.45 178.65 2a48 s LYS 187 N -4.49 1.24 0.18 3.15 -0.14 -1.26 -5.06 119.74 113.35 2a48 s LYS 187 Ca -0.04 -1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 52.73 2a48 s LYS 187 Cb 0.14 0.31 -0.08 0.00 -1.68 0.00 0.00 37.83 36.52 2a48 s LYS 187 CO 0.56 -0.43 1.29 -2.14 -0.76 0.00 0.00 175.35 173.87 2a48 s PRO 188 N -4.12 4.40 0.12 -1.68 0.02 -1.26 -5.01 135.00 127.47 2a48 s PRO 188 Ca 0.34 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.38 2a48 s PRO 188 Cb 0.06 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2a48 s PRO 188 CO 0.10 -0.24 -0.05 0.14 -0.33 0.00 0.00 177.00 176.62 2a48 s VAL 189 N 0.27 0.72 -0.06 3.83 -7.23 -1.26 -5.06 120.40 111.62 2a48 s VAL 189 Ca 0.57 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2a48 s VAL 189 Cb -0.35 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2a48 s VAL 189 CO 0.36 -0.77 1.60 0.42 -0.31 0.00 0.00 175.10 176.40 2a48 s THR 190 N -3.62 3.64 0.37 5.32 -4.23 -1.26 -4.97 115.64 110.89 2a48 s THR 190 Ca 0.15 0.81 -0.27 0.00 -1.18 0.00 0.00 61.69 61.20 2a48 s THR 190 Cb 0.05 -3.52 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 2a48 s THR 190 CO -0.02 -0.06 1.22 -0.04 -0.54 0.00 0.00 174.62 175.17 2a48 s MET 191 N 3.83 4.16 0.67 3.99 -1.94 -1.26 -4.59 119.30 124.15 2a48 s MET 191 Ca 0.71 1.99 -0.05 0.00 -1.71 0.00 0.00 55.69 56.62 2a48 s MET 191 Cb -0.32 -2.83 0.05 0.00 2.01 0.00 0.00 34.83 33.74 2a48 s MET 191 CO 0.28 -0.28 0.97 -1.25 -0.01 0.00 0.00 175.02 174.73 2a48 s PRO 192 N -2.09 2.32 0.70 2.03 0.04 -1.26 -4.85 135.00 131.88 2a48 s PRO 192 Ca 0.54 -0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.17 2a48 s PRO 192 Cb -0.34 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.00 2a48 s PRO 192 CO 0.44 -1.11 1.06 -2.14 0.04 0.00 0.00 177.00 175.29 2a48 s PRO 193 N -5.15 2.66 0.46 0.56 0.01 -1.26 -4.84 135.00 127.44 2a48 s PRO 193 Ca 0.59 0.24 -0.25 0.00 0.01 0.00 0.00 61.00 61.59 2a48 s PRO 193 Cb -0.11 -2.08 -0.08 0.00 0.01 0.00 0.00 34.50 32.25 2a48 s PRO 193 CO 0.44 -1.08 1.42 -0.80 0.01 0.00 0.00 177.00 176.99 2a48 s ASN 194 N -4.40 5.80 0.09 2.53 0.01 -1.26 -4.88 114.94 112.83 2a48 s ASN 194 Ca 0.58 2.90 -0.02 0.00 -0.71 0.00 0.00 52.86 55.61 2a48 s ASN 194 Cb -0.11 -2.65 0.01 0.00 0.41 0.00 0.00 41.25 38.91 2a48 s ASN 194 CO 0.49 -1.23 0.16 0.00 -1.51 0.00 0.00 177.10 175.02 2a48 n HIS 195 N -0.30 -1.06 -4.32 2.20 1.44 0.24 -4.52 115.22 108.90 2a48 n HIS 195 Ca 0.06 -0.51 -0.19 0.00 -2.01 0.00 0.00 57.72 55.07 2a48 n HIS 195 Cb 0.42 0.19 -0.14 0.00 0.12 0.00 0.00 29.99 30.59 2a48 n HIS 195 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2a48 s VAL 196 N -2.67 0.87 -0.21 0.61 1.01 -1.18 0.04 120.40 118.87 2a48 s VAL 196 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2a48 s VAL 196 Cb -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 2a48 s VAL 196 CO 0.04 0.03 -0.09 -0.69 0.00 0.00 0.00 175.10 174.39 2a48 s VAL 197 N -0.66 3.00 -0.19 2.92 1.01 0.71 -0.64 120.40 126.55 2a48 s VAL 197 Ca 0.01 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2a48 s VAL 197 Cb -0.06 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2a48 s VAL 197 CO 0.00 0.46 0.51 -0.70 0.00 0.00 0.00 175.10 175.37 2a48 s GLU 198 N 1.43 4.20 0.19 2.72 2.12 0.71 -0.61 118.70 129.45 2a48 s GLU 198 Ca 0.06 0.40 0.10 0.00 0.36 0.00 0.00 54.97 55.88 2a48 s GLU 198 Cb -0.14 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2a48 s GLU 198 CO -0.06 -0.12 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.32 2a48 s HIS 199 N 1.54 2.07 -0.11 5.30 3.76 -0.18 -1.56 115.29 126.12 2a48 s HIS 199 Ca 0.24 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.70 2a48 s HIS 199 Cb -0.15 -1.02 0.05 0.00 1.11 0.00 0.00 32.58 32.57 2a48 s HIS 199 CO 0.10 0.44 0.12 1.03 -0.85 0.00 0.00 174.74 175.57 2a48 s ARG 200 N -2.79 0.03 -0.08 1.40 1.81 0.23 -2.42 118.95 117.13 2a48 s ARG 200 Ca 0.19 0.26 0.04 0.00 -1.72 0.00 0.00 55.73 54.50 2a48 s ARG 200 Cb -0.07 -0.96 -0.00 0.00 -0.45 0.00 0.00 34.95 33.48 2a48 s ARG 200 CO 0.09 -0.47 -0.21 -1.50 -0.68 0.00 0.00 175.30 172.53 2a48 s ILE 201 N 2.21 1.77 -0.05 1.52 2.07 -1.26 -0.09 121.20 127.37 2a48 s ILE 201 Ca 0.04 -0.87 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 2a48 s ILE 201 Cb -0.14 -1.53 0.01 0.00 0.13 0.00 0.00 42.46 40.93 2a48 s ILE 201 CO -0.07 0.50 -0.13 0.00 -1.91 0.00 0.00 174.94 173.33 2a48 s ALA 202 N 0.25 1.27 -0.11 1.50 0.00 0.46 -4.53 121.76 120.60 2a48 s ALA 202 Ca -0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2a48 s ALA 202 Cb -0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2a48 s ALA 202 CO 0.06 0.16 -0.02 0.50 0.00 0.00 0.00 175.76 176.45 2a48 s ARG 203 N 0.46 3.19 -0.20 0.00 3.52 -1.26 -1.88 118.95 122.78 2a48 s ARG 203 Ca -0.11 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2a48 s ARG 203 Cb -0.14 -2.81 0.06 0.00 -1.56 0.00 0.00 34.95 30.50 2a48 s ARG 203 CO 0.03 0.53 -0.00 0.99 -0.81 0.00 0.00 175.30 176.04 2a48 s THR 204 N -0.42 0.92 0.14 4.11 2.01 0.13 -4.99 115.64 117.54 2a48 s THR 204 Ca 0.07 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 2a48 s THR 204 Cb -0.12 -1.31 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 2a48 s THR 204 CO 0.02 -0.14 1.33 -1.81 -0.69 0.00 0.00 174.62 173.34 2a48 s ASP 205 N 1.68 6.89 0.00 3.53 1.01 -1.26 0.37 116.67 128.89 2a48 s ASP 205 Ca -0.02 2.32 0.22 0.00 0.71 0.00 0.00 52.55 55.78 2a48 s ASP 205 Cb -0.17 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.18 2a48 s ASP 205 CO -0.07 -0.57 1.08 0.18 0.21 0.00 0.00 175.17 175.99 2a48 n LEU 206 N 3.38 0.91 -3.87 1.23 4.77 0.89 -4.89 117.00 119.41 2a48 n LEU 206 Ca 0.09 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 2a48 n LEU 206 Cb 0.43 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2a48 n LEU 206 CO 0.58 0.22 -0.12 1.51 -1.33 0.00 0.00 177.39 178.25 2a48 s ASP 207 N -2.96 0.11 0.16 -1.43 -4.77 -1.19 -4.96 116.67 101.63 2a48 s ASP 207 Ca 0.10 -0.56 -0.22 0.00 -3.30 0.00 0.00 52.55 48.57 2a48 s ASP 207 Cb 0.17 0.30 0.05 0.00 -1.09 0.00 0.00 42.92 42.35 2a48 s ASP 207 CO 0.79 -0.64 1.62 0.07 0.70 0.00 0.00 175.17 177.72 2a48 h LYS 208 N 3.11 -0.23 0.00 2.11 5.09 -1.92 -1.22 116.57 123.51 2a48 h LYS 208 Ca -0.33 0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.42 2a48 h LYS 208 Cb 1.19 0.05 -0.00 0.00 0.10 0.00 0.00 32.23 33.57 2a48 h LYS 208 CO 0.53 -0.15 -0.00 0.78 -2.09 0.00 0.00 179.45 178.52 2a48 h GLY 209 N -0.24 0.00 0.00 0.07 0.00 -1.97 -3.46 103.07 97.48 2a48 h GLY 209 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2a48 h GLY 209 CO -0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.72 2a48 n GLY 210 N -0.93 0.53 0.22 4.60 0.00 -0.46 -3.71 105.19 105.44 2a48 n GLY 210 Ca -0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2a48 n GLY 210 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2a48 h ASN 211 N 0.00 0.64 -3.59 1.61 4.21 -1.89 -3.40 115.58 113.16 2a48 h ASN 211 Ca 0.00 -0.31 -0.64 0.00 1.21 0.00 0.00 56.30 56.56 2a48 h ASN 211 Cb 0.00 -0.18 -0.21 0.00 -1.12 0.00 0.00 38.32 36.81 2a48 h ASN 211 CO 0.00 1.00 -0.60 -0.55 -1.29 0.00 0.00 177.43 175.99 2a48 s SER 212 N -6.88 5.30 0.01 5.81 0.15 -1.26 0.10 113.70 116.93 2a48 s SER 212 Ca -0.08 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.32 2a48 s SER 212 Cb 0.12 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2a48 s SER 212 CO 0.83 0.01 0.26 0.54 1.20 0.00 0.00 173.24 176.08 2a48 s VAL 213 N 1.34 0.08 -0.02 4.45 0.11 -0.16 -0.08 120.40 126.12 2a48 s VAL 213 Ca 0.05 -0.64 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2a48 s VAL 213 Cb -0.15 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2a48 s VAL 213 CO 0.04 -0.35 -0.15 -1.58 -3.33 0.00 0.00 175.10 169.72 2a48 s GLN 214 N -1.86 2.39 -0.00 1.54 0.74 0.16 0.07 119.66 122.69 2a48 s GLN 214 Ca -0.10 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.59 2a48 s GLN 214 Cb -0.04 -2.33 -0.01 0.00 1.10 0.00 0.00 33.01 31.73 2a48 s GLN 214 CO 0.01 0.60 -0.17 -1.17 -0.55 0.00 0.00 175.29 174.01 2a48 s LEU 215 N -0.94 2.06 -0.03 3.68 2.96 0.13 0.19 118.68 126.73 2a48 s LEU 215 Ca 0.13 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2a48 s LEU 215 Cb -0.11 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.76 2a48 s LEU 215 CO 0.02 0.19 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.32 2a48 s THR 216 N -0.47 0.33 0.01 3.68 2.01 -0.79 -0.03 115.64 120.39 2a48 s THR 216 Ca 0.06 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2a48 s THR 216 Cb -0.07 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 2a48 s THR 216 CO -0.00 0.16 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.22 2a48 s GLU 217 N 0.71 1.27 -0.10 4.92 2.12 -0.56 -0.40 118.70 126.65 2a48 s GLU 217 Ca -0.08 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.56 2a48 s GLU 217 Cb -0.11 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 33.03 2a48 s GLU 217 CO -0.01 0.34 -0.10 -1.01 -0.54 0.00 0.00 175.26 173.94 2a48 s HIS 218 N -0.56 1.59 -0.00 5.30 3.76 0.87 -2.10 115.29 124.14 2a48 s HIS 218 Ca 0.06 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2a48 s HIS 218 Cb -0.07 -1.25 -0.00 0.00 1.11 0.00 0.00 32.58 32.37 2a48 s HIS 218 CO 0.00 -0.47 -0.03 0.00 -0.85 0.00 0.00 174.74 173.39 2a48 s ALA 219 N 1.37 0.31 -0.04 -1.40 0.00 0.20 -0.60 121.76 121.61 2a48 s ALA 219 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2a48 s ALA 219 Cb -0.14 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2a48 s ALA 219 CO -0.05 0.07 0.07 0.08 0.00 0.00 0.00 175.76 175.92 2a48 s VAL 220 N -0.01 -0.07 0.16 0.00 1.01 -0.60 -1.65 120.40 119.23 2a48 s VAL 220 Ca 0.01 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 2a48 s VAL 220 Cb -0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.14 2a48 s VAL 220 CO -0.00 0.10 0.69 0.00 0.00 0.00 0.00 175.10 175.89 2a48 s ALA 221 N 1.28 3.49 -0.06 5.51 0.00 0.01 -0.21 121.76 131.78 2a48 s ALA 221 Ca -0.07 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2a48 s ALA 221 Cb -0.13 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 2a48 s ALA 221 CO -0.04 0.34 -0.22 -1.01 0.00 0.00 0.00 175.76 174.84 2a48 s HIS 222 N -1.27 2.18 -0.02 0.00 3.76 0.19 -4.64 115.29 115.49 2a48 s HIS 222 Ca 0.36 -0.71 -0.30 0.00 -0.15 0.00 0.00 55.06 54.26 2a48 s HIS 222 Cb -0.20 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 2a48 s HIS 222 CO 0.22 -0.25 1.04 0.42 -0.85 0.00 0.00 174.74 175.32 2a48 s ILE 223 N 0.06 4.68 -1.38 0.60 1.01 -1.26 -3.10 121.20 121.82 2a48 s ILE 223 Ca -0.08 1.93 0.11 0.00 0.00 0.00 0.00 60.65 62.62 2a48 s ILE 223 Cb -0.14 -4.24 0.09 0.00 0.01 0.00 0.00 42.46 38.17 2a48 s ILE 223 CO 0.04 0.10 0.85 0.35 0.00 0.00 0.00 174.94 176.28